| 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 | 45.3 | Very low | 83.3 | Confident | 246 Ų | 246 | 130.1 Ų | 130.1 | 100% | 1.212 | 62% | 0.62 | S | S | * | * | 0 | 115.5 | 0 | -72.6 | 170.7 | -178.7 | 0 | 0 | 106.6 | H3 | M1-H3 PolarHBondContact O-N 3.21Š| |||
| 2 | S | 63.5 | Low | 84.1 | Confident | 116 Ų | 116 | 121.1 Ų | 121.1 | 81% | 0.811 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 125.4 | 175.7 | 41.8 | 0 | 0 | 0 | 0 | 109.1 | L4 | S2-L4 PolarHBondContact O-N 3.33Š|
| 3 | H | 78.4 | Confident | 84.9 | Confident | 157 Ų | 157 | 120.1 Ų | 120.1 | 73% | 0.727 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 127.7 | 174.4 | -169 | -85.1 | 0 | 0 | 0 | 108.6 | M1 E5 | M1-H3 PolarHBondContact O-N 3.21Å; H3-E5 PolarHBondContact O-N 3.05Å |
| 4 | L | 86.4 | Confident | 85.5 | Confident | 88 Ų | 88 | 114.4 Ų | 114.4 | 46% | 0.461 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -74.3 | 119.9 | 175.3 | -78.8 | 165.8 | 0 | 0 | 0 | 108.6 | S2 L14 A33 | S2-L4 PolarHBondContact O-N 3.33Å; L4-L14 HydrophobicContact CB-CD1 3.96Å; L4-A33 HydrophobicContact CD1-CB 4.15Å; L4-A33 HydrophobicContact CD2-CB 3.78Å |
| 5 | E | 92.1 | Very high | 86.1 | Confident | 110 Ų | 110 | 113.4 Ų | 113.4 | 51% | 0.514 | 56% | 0.559 | S | S | . | * | trans | -147.2 | 153.2 | 179.9 | 64.4 | -178.6 | -175.5 | 0 | 0 | 111.5 | H3 | H3-E5 PolarHBondContact O-N 3.05Š| ||
| 6 | C | 92.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 113.8 Ų | 113.8 | 1% | 0.007 | 56% | 0.559 | C | S | . | * | B | Isolated β-bridge | trans | -80 | 125.9 | 173.2 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | Y8 H9 C25 C28 V32 | C6-Y8 PolarHBondContact O-N 3.47Å; C6-Y8 VanDerWaalsContact O-N 3.08Å; C6-H9 HydrophobicContact CB-CB 4.24Å; C6-H9 CarbonylContact O-C 3.26Å; C6-H9 VanDerWaalsContact O-C 3.26Å; C6-H9 PolarHBondContact O-N 3.35Å; C6-H9 VanDerWaalsContact O-N 3.08Å; C6-C25 HydrophobicContact CB-CB 3.82Å; C6-C25 VanDerWaalsContact CB-SG 3.59Å; C6-C28 VanDerWaalsContact SG-SG 3.65Å; C6-V32 HydrophobicContact CB-CG1 3.99Å |
| 7 | K | 91.5 | Very high | 86.8 | Confident | 182 Ų | 182 | 111.2 Ų | 111.2 | 79% | 0.791 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -30.9 | 178.2 | -67.3 | -178 | 179.7 | 178.8 | 0 | 114.4 | ||
| 8 | Y | 93.2 | Very high | 87 | Confident | 173 Ų | 173 | 110.9 Ų | 110.9 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -20.7 | -178.6 | -56.5 | -71.8 | 0 | 0 | 0 | 113.2 | C6 L30 | C6-Y8 PolarHBondContact O-N 3.47Å; C6-Y8 VanDerWaalsContact O-N 3.08Å; Y8-L30 HydrophobicContact CD2-CD2 4.08Å; Y8-L30 HydrophobicContact CE2-CD2 4.17Å |
| 9 | H | 92.9 | Very high | 87.1 | Confident | 63 Ų | 63 | 114.5 Ų | 114.5 | 29% | 0.292 | 57% | 0.573 | S | S | . | * | B | Isolated β-bridge | trans | -138.5 | 76.1 | -175.6 | -48.3 | 96.8 | 0 | 0 | 0 | 110 | C6 Y11 A12 M27 C28 | C6-H9 HydrophobicContact CB-CB 4.24Å; C6-H9 CarbonylContact O-C 3.26Å; C6-H9 VanDerWaalsContact O-C 3.26Å; C6-H9 PolarHBondContact O-N 3.35Å; C6-H9 VanDerWaalsContact O-N 3.08Å; H9-Y11 PolarHBondContact O-N 2.97Å; H9-Y11 VanDerWaalsContact O-N 3.07Å; H9-A12 HydrophobicContact CB-CB 3.59Å; H9-A12 WeakPolarHBondContact O-CB 3.43Å; H9-A12 PolarHBondContact O-N 3.37Å; H9-M27 HydrophobicContact CB-CB 4.39Å; H9-C28 VanDerWaalsContact CE1-CB 3.46Å; H9-C28 WeakPolarHBondContact CE1-CB 3.34Å; H9-C28 VanDerWaalsContact CE1-SG 3.57Å; H9-C28 PolarHBondContact ND1-SG 2.83Å; H9-C28 VanDerWaalsContact ND1-SG 3.36Å |
| 10 | P | 89.8 | Confident | 87.4 | Confident | 68 Ų | 68 | 111.3 Ų | 111.3 | 44% | 0.442 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.2 | -24.4 | -174.4 | -26.5 | 35.6 | 0 | 0 | 0 | 114.5 | ||
| 11 | Y | 91.2 | Very high | 87.6 | Confident | 227 Ų | 227 | 106.8 Ų | 106.8 | 89% | 0.89 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 6.5 | -179.5 | -54.2 | -73.2 | 0 | 0 | 0 | 113.8 | H9 | H9-Y11 PolarHBondContact O-N 2.97Å; H9-Y11 VanDerWaalsContact O-N 3.07Å |
| 12 | A | 92.3 | Very high | 89.9 | Confident | 22 Ų | 22 | 96.8 Ų | 96.8 | 18% | 0.182 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 142.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | H9 L14 C25 M27 | H9-A12 HydrophobicContact CB-CB 3.59Å; H9-A12 WeakPolarHBondContact O-CB 3.43Å; H9-A12 PolarHBondContact O-N 3.37Å; A12-L14 PolarHBondContact O-N 3.14Å; A12-C25 VanDerWaalsContact CB-SG 3.58Å; A12-M27 HydrophobicContact CB-CB 4.45Å; A12-M27 HydrophobicContact CB-CG 3.87Å |
| 13 | V | 94.3 | Very high | 91.4 | Very high | 108 Ų | 108 | 92.8 Ų | 92.8 | 66% | 0.655 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 132.3 | 170.1 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | S26 | V13-S26 VanDerWaalsContact O-CB 3.23Å; V13-S26 WeakPolarHBondContact O-CB 3.48Å; V13-S26 PolarHBondContact O-N 3.19Å; V13-S26 VanDerWaalsContact O-N 3.15Å; V13-S26 PolarHBondContact O-OG 2.85Å |
| 14 | L | 94.1 | Very high | 92.2 | Very high | 40 Ų | 40 | 86.9 Ų | 86.9 | 21% | 0.209 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 131.1 | 172.7 | -58.6 | 178.8 | 0 | 0 | 0 | 109 | L4 A12 M23 V24 C25 V32 | L4-L14 HydrophobicContact CB-CD1 3.96Å; A12-L14 PolarHBondContact O-N 3.14Å; L14-M23 HydrophobicContact CB-CE 3.75Å; L14-V24 WeakPolarHBondContact CA-O 3.4Å; L14-C25 HydrophobicContact CD2-CB 4.39Å; L14-V32 HydrophobicContact CD1-CG2 3.58Å; L14-V32 HydrophobicContact CD2-CB 4.49Å; L14-V32 HydrophobicContact CD2-CG1 4.13Å; L14-V32 HydrophobicContact CD2-CG2 3.56Å; L14-V32 HydrophobicContact CG-CG2 4.14Å |
| 15 | I | 93.9 | Very high | 92.6 | Very high | 100 Ų | 100 | 82.8 Ų | 82.8 | 51% | 0.513 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 125.2 | 176.9 | -58.4 | 173.4 | 0 | 0 | 0 | 107.2 | V24 | I15-V24 PolarHBondContact N-O 3.04Å; I15-V24 PolarHBondContact O-N 3.36Å |
| 16 | E | 92.6 | Very high | 92.7 | Very high | 119 Ų | 119 | 80.3 Ų | 80.3 | 56% | 0.556 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 116 | 172.2 | -173.8 | 178.7 | 174.2 | 0 | 0 | 109.5 | S18 M23 | E16-S18 PolarHBondContact O-N 2.97Å; E16-M23 HydrophobicContact CB-CE 4.09Å; E16-M23 HydrophobicContact CB-SD 3.62Å; E16-M23 HydrophobicContact CG-SD 3.78Å |
| 17 | D | 92.6 | Very high | 92.9 | Very high | 71 Ų | 71 | 86.5 Ų | 86.5 | 38% | 0.38 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 92.8 | 166.4 | -174.2 | -16.6 | 0 | 0 | 0 | 108.7 | H19 A20 G21 D22 V24 | D17-H19 PolarHBondContact O-N 3.41Å; D17-H19 VanDerWaalsContact O-N 3.16Å; D17-H19 WeakPolarHBondContact OD1-CB 3.48Å; D17-H19 PolarHBondContact OD1-N 3.36Å; D17-A20 HydrophobicContact CB-CB 4.18Å; D17-A20 PolarHBondContact O-N 2.79Å; D17-A20 PolarHBondContact OD1-N 3.35Å; D17-G21 WeakPolarHBondContact O-CA 3.15Å; D17-G21 PolarHBondContact O-N 3.45Å; D17-D22 PolarHBondContact N-O 3.34Å; D17-D22 PolarHBondContact O-N 3.3Å; D17-D22 VanDerWaalsContact O-N 3.14Å; D17-V24 HydrophobicContact CB-CG2 4.44Å |
| 18 | S | 89.3 | Confident | 93.1 | Very high | 105 Ų | 105 | 80.8 Ų | 80.8 | 73% | 0.734 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -21.3 | 178.8 | 62.3 | 0 | 0 | 0 | 0 | 114.5 | E16 | E16-S18 PolarHBondContact O-N 2.97Š|
| 19 | H | 90.2 | Very high | 93.1 | Very high | 179 Ų | 179 | 74.8 Ų | 74.8 | 83% | 0.829 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -43 | 179.8 | -174 | 62.9 | 0 | 0 | 0 | 111.5 | D17 | D17-H19 PolarHBondContact O-N 3.41Å; D17-H19 VanDerWaalsContact O-N 3.16Å; D17-H19 WeakPolarHBondContact OD1-CB 3.48Å; D17-H19 PolarHBondContact OD1-N 3.36Å |
| 20 | A | 92 | Very high | 93.1 | Very high | 51 Ų | 51 | 74.8 Ų | 74.8 | 42% | 0.421 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -26.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D17 D22 | D17-A20 HydrophobicContact CB-CB 4.18Å; D17-A20 PolarHBondContact O-N 2.79Å; D17-A20 PolarHBondContact OD1-N 3.35Å; A20-D22 HydrophobicContact CB-CB 4.13Å |
| 21 | G | 91.7 | Very high | 93.3 | Very high | 17 Ų | 17 | 74.7 Ų | 74.7 | 18% | 0.175 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 31.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112 | D17 R35 V36 | D17-G21 WeakPolarHBondContact O-CA 3.15Å; D17-G21 PolarHBondContact O-N 3.45Å; G21-R35 CarbonylContact O-C 3.57Å; G21-R35 VanDerWaalsContact O-CA 3.23Å; G21-R35 WeakPolarHBondContact O-CA 3.12Å; G21-R35 PolarHBondContact O-N 2.94Å; G21-V36 WeakPolarHBondContact O-CG2 3.42Å; G21-V36 PolarHBondContact O-N 2.86Å |
| 22 | D | 94.5 | Very high | 93.4 | Very high | 35 Ų | 35 | 65.4 Ų | 65.4 | 19% | 0.187 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 147.6 | -170.1 | -70.8 | -11.7 | 0 | 0 | 0 | 111.6 | D17 A20 V24 V31 A33 D34 R35 | D17-D22 PolarHBondContact N-O 3.34Å; D17-D22 PolarHBondContact O-N 3.3Å; D17-D22 VanDerWaalsContact O-N 3.14Å; A20-D22 HydrophobicContact CB-CB 4.13Å; D22-V24 HydrophobicContact CB-CG2 4.29Å; D22-V31 HydrophobicContact CB-CG1 3.95Å; D22-A33 CarbonylContact C-O 3.44Å; D22-A33 WeakPolarHBondContact CA-O 3.35Å; D22-D34 VanDerWaalsContact OD1-CA 3.28Å; D22-D34 WeakPolarHBondContact OD1-CA 3.39Å; D22-R35 PolarHBondContact OD1-N 3.33Å |
| 23 | M | 93.9 | Very high | 93.4 | Very high | 32 Ų | 32 | 65.2 Ų | 65.2 | 16% | 0.158 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119.6 | 165.7 | -61.9 | -57.5 | -64.8 | 0 | 0 | 109.2 | L14 E16 V31 V32 A33 V36 | L14-M23 HydrophobicContact CB-CE 3.75Å; E16-M23 HydrophobicContact CB-CE 4.09Å; E16-M23 HydrophobicContact CB-SD 3.62Å; E16-M23 HydrophobicContact CG-SD 3.78Å; M23-V31 CarbonylContact O-C 3.59Å; M23-V31 WeakPolarHBondContact O-CA 3.48Å; M23-V32 HydrophobicContact CB-CG2 3.72Å; M23-V32 WeakPolarHBondContact O-CG2 3.32Å; M23-V32 PolarHBondContact O-N 3.2Å; M23-A33 HydrophobicContact CB-CB 3.92Å; M23-A33 HydrophobicContact CG-CB 3.91Å; M23-A33 PolarHBondContact N-O 3.48Å; M23-V36 HydrophobicContact CG-CG2 3.62Å; M23-V36 HydrophobicContact SD-CG2 4.14Å |
| 24 | V | 94.6 | Very high | 93.3 | Very high | 34 Ų | 34 | 64.5 Ų | 64.5 | 21% | 0.206 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 134.5 | -173.4 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | L14 I15 D17 D22 S26 V31 | L14-V24 WeakPolarHBondContact CA-O 3.4Å; I15-V24 PolarHBondContact N-O 3.04Å; I15-V24 PolarHBondContact O-N 3.36Å; D17-V24 HydrophobicContact CB-CG2 4.44Å; D22-V24 HydrophobicContact CB-CG2 4.29Å; V24-S26 PolarHBondContact O-N 2.78Å; V24-V31 HydrophobicContact CG2-CG2 4.39Å |
| 25 | C | 95.3 | Very high | 93 | Very high | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.014 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 125.9 | 172.9 | 178 | 0 | 0 | 0 | 0 | 111.2 | C6 A12 L14 M27 G29 L30 | C6-C25 HydrophobicContact CB-CB 3.82Å; C6-C25 VanDerWaalsContact CB-SG 3.59Å; A12-C25 VanDerWaalsContact CB-SG 3.58Å; L14-C25 HydrophobicContact CD2-CB 4.39Å; C25-M27 PolarHBondContact O-N 3.25Å; C25-M27 VanDerWaalsContact O-N 3.16Å; C25-G29 WeakPolarHBondContact O-CA 3.4Å; C25-G29 PolarHBondContact O-N 3.05Å; C25-L30 HydrophobicContact CB-CB 4.39Å; C25-L30 WeakPolarHBondContact CB-O 3.23Å; C25-L30 PolarHBondContact N-O 3.41Å |
| 26 | S | 95.7 | Very high | 92.8 | Very high | 57 Ų | 57 | 69.7 Ų | 69.7 | 40% | 0.399 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -23.9 | -179.5 | 69.1 | 0 | 0 | 0 | 0 | 114.6 | V13 V24 | V13-S26 VanDerWaalsContact O-CB 3.23Å; V13-S26 WeakPolarHBondContact O-CB 3.48Å; V13-S26 PolarHBondContact O-N 3.19Å; V13-S26 VanDerWaalsContact O-N 3.15Å; V13-S26 PolarHBondContact O-OG 2.85Å; V24-S26 PolarHBondContact O-N 2.78Å |
| 27 | M | 95 | Very high | 92.6 | Very high | 132 Ų | 132 | 71 Ų | 71 | 65% | 0.65 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -36.5 | -172.9 | -67.8 | -60.3 | -62.7 | 0 | 0 | 113.8 | H9 A12 C25 | H9-M27 HydrophobicContact CB-CB 4.39Å; A12-M27 HydrophobicContact CB-CB 4.45Å; A12-M27 HydrophobicContact CB-CG 3.87Å; C25-M27 PolarHBondContact O-N 3.25Å; C25-M27 VanDerWaalsContact O-N 3.16Å |
| 28 | C | 95.3 | Very high | 92.4 | Very high | 61 Ų | 61 | 73.9 Ų | 73.9 | 41% | 0.412 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | -3.1 | -174.8 | 62.8 | 0 | 0 | 0 | 0 | 115.2 | C6 H9 L30 | C6-C28 VanDerWaalsContact SG-SG 3.65Å; H9-C28 VanDerWaalsContact CE1-CB 3.46Å; H9-C28 WeakPolarHBondContact CE1-CB 3.34Å; H9-C28 VanDerWaalsContact CE1-SG 3.57Å; H9-C28 PolarHBondContact ND1-SG 2.83Å; H9-C28 VanDerWaalsContact ND1-SG 3.36Å; C28-L30 PolarHBondContact O-N 3.02Å; C28-L30 VanDerWaalsContact SG-CB 3.56Å |
| 29 | G | 93.2 | Very high | 92.3 | Very high | 47 Ų | 47 | 75.8 Ų | 75.8 | 49% | 0.485 | 42% | 0.424 | S | S | . | . | trans | 72.3 | 9.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | C25 V31 | C25-G29 WeakPolarHBondContact O-CA 3.4Å; C25-G29 PolarHBondContact O-N 3.05Å; G29-V31 PolarHBondContact O-N 2.98Å | ||
| 30 | L | 93.9 | Very high | 92.1 | Very high | 64 Ų | 64 | 69.4 Ų | 69.4 | 34% | 0.335 | 41% | 0.407 | S | S | . | . | trans | -67.4 | 126.1 | 175.9 | -178.3 | 69 | 0 | 0 | 0 | 110.1 | Y8 C25 C28 V32 | Y8-L30 HydrophobicContact CD2-CD2 4.08Å; Y8-L30 HydrophobicContact CE2-CD2 4.17Å; C25-L30 HydrophobicContact CB-CB 4.39Å; C25-L30 WeakPolarHBondContact CB-O 3.23Å; C25-L30 PolarHBondContact N-O 3.41Å; C28-L30 PolarHBondContact O-N 3.02Å; C28-L30 VanDerWaalsContact SG-CB 3.56Å; L30-V32 PolarHBondContact O-N 3.14Å | ||
| 31 | V | 94.9 | Very high | 91.7 | Very high | 65 Ų | 65 | 71.1 Ų | 71.1 | 39% | 0.394 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 116.3 | 169 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | D22 M23 V24 G29 A33 D34 | D22-V31 HydrophobicContact CB-CG1 3.95Å; M23-V31 CarbonylContact O-C 3.59Å; M23-V31 WeakPolarHBondContact O-CA 3.48Å; V24-V31 HydrophobicContact CG2-CG2 4.39Å; G29-V31 PolarHBondContact O-N 2.98Å; V31-A33 VanDerWaalsContact CG1-O 3.26Å; V31-A33 WeakPolarHBondContact CG1-O 3.43Å; V31-D34 HydrophobicContact CG1-CB 4.45Å |
| 32 | V | 93.3 | Very high | 91.2 | Very high | 33 Ų | 33 | 76.1 Ų | 76.1 | 20% | 0.2 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -22.2 | -179.7 | -59.7 | 0 | 0 | 0 | 0 | 112.9 | C6 L14 M23 L30 | C6-V32 HydrophobicContact CB-CG1 3.99Å; L14-V32 HydrophobicContact CD1-CG2 3.58Å; L14-V32 HydrophobicContact CD2-CB 4.49Å; L14-V32 HydrophobicContact CD2-CG1 4.13Å; L14-V32 HydrophobicContact CD2-CG2 3.56Å; L14-V32 HydrophobicContact CG-CG2 4.14Å; M23-V32 HydrophobicContact CB-CG2 3.72Å; M23-V32 WeakPolarHBondContact O-CG2 3.32Å; M23-V32 PolarHBondContact O-N 3.2Å; L30-V32 PolarHBondContact O-N 3.14Å |
| 33 | A | 92.1 | Very high | 90.5 | Very high | 18 Ų | 18 | 76.7 Ų | 76.7 | 15% | 0.149 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 131.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | L4 D22 M23 V31 V36 | L4-A33 HydrophobicContact CD1-CB 4.15Å; L4-A33 HydrophobicContact CD2-CB 3.78Å; D22-A33 CarbonylContact C-O 3.44Å; D22-A33 WeakPolarHBondContact CA-O 3.35Å; M23-A33 HydrophobicContact CB-CB 3.92Å; M23-A33 HydrophobicContact CG-CB 3.91Å; M23-A33 PolarHBondContact N-O 3.48Å; V31-A33 VanDerWaalsContact CG1-O 3.26Å; V31-A33 WeakPolarHBondContact CG1-O 3.43Å; A33-V36 HydrophobicContact CB-CG2 4.25Å |
| 34 | D | 90.7 | Very high | 89.6 | Confident | 92 Ų | 92 | 84.9 Ų | 84.9 | 49% | 0.492 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -100.3 | 148.7 | 170.5 | 67.6 | -52.3 | 0 | 0 | 0 | 110.4 | D22 V31 V36 | D22-D34 VanDerWaalsContact OD1-CA 3.28Å; D22-D34 WeakPolarHBondContact OD1-CA 3.39Å; V31-D34 HydrophobicContact CG1-CB 4.45Å; D34-V36 PolarHBondContact O-N 2.86Å |
| 35 | R | 88.6 | Confident | 88.6 | Confident | 195 Ų | 195 | 88.1 Ų | 88.1 | 74% | 0.736 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 53.6 | 50.3 | 173.1 | -61 | 174.1 | -73.3 | -178.2 | -3.1 | 113.7 | G21 D22 I37 | G21-R35 CarbonylContact O-C 3.57Å; G21-R35 VanDerWaalsContact O-CA 3.23Å; G21-R35 WeakPolarHBondContact O-CA 3.12Å; G21-R35 PolarHBondContact O-N 2.94Å; D22-R35 PolarHBondContact OD1-N 3.33Å; R35-I37 PolarHBondContact O-N 3.43Å |
| 36 | V | 90.1 | Very high | 87.7 | Confident | 54 Ų | 54 | 95 Ų | 95 | 33% | 0.327 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 132.1 | 170.1 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | G21 M23 A33 D34 D38 | G21-V36 WeakPolarHBondContact O-CG2 3.42Å; G21-V36 PolarHBondContact O-N 2.86Å; M23-V36 HydrophobicContact CG-CG2 3.62Å; M23-V36 HydrophobicContact SD-CG2 4.14Å; A33-V36 HydrophobicContact CB-CG2 4.25Å; D34-V36 PolarHBondContact O-N 2.86Å; V36-D38 PolarHBondContact O-N 2.93Å |
| 37 | I | 88.3 | Confident | 86.8 | Confident | 146 Ų | 146 | 98.2 Ų | 98.2 | 75% | 0.749 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 116.1 | 179.3 | -59.2 | 173.3 | 0 | 0 | 0 | 108.4 | R35 V39 | R35-I37 PolarHBondContact O-N 3.43Å; I37-V39 PolarHBondContact O-N 3.11Å |
| 38 | D | 87.5 | Confident | 86.2 | Confident | 132 Ų | 132 | 99.5 Ų | 99.5 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 120.6 | 167.2 | -175.5 | -0.7 | 0 | 0 | 0 | 109.4 | V36 G40 | V36-D38 PolarHBondContact O-N 2.93Å; D38-G40 VanDerWaalsContact C-N 3.28Å; D38-G40 WeakPolarHBondContact OD1-CA 3.42Å; D38-G40 PolarHBondContact OD1-N 3.41Å |
| 39 | V | 87.8 | Confident | 85.5 | Confident | 145 Ų | 145 | 101 Ų | 101 | 88% | 0.879 | 55% | 0.549 | S | S | * | . | trans | -87.2 | 2.6 | 178.8 | -64.4 | 0 | 0 | 0 | 0 | 112.9 | I37 | I37-V39 PolarHBondContact O-N 3.11Š| ||
| 40 | G | 85.3 | Confident | 84.4 | Confident | 45 Ų | 45 | 103.6 Ų | 103.6 | 46% | 0.464 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -69.3 | -176.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D38 E42 | D38-G40 VanDerWaalsContact C-N 3.28Å; D38-G40 WeakPolarHBondContact OD1-CA 3.42Å; D38-G40 PolarHBondContact OD1-N 3.41Å; G40-E42 PolarHBondContact O-N 3.24Å |
| 41 | S | 83.4 | Confident | 83.3 | Confident | 87 Ų | 87 | 107.9 Ų | 107.9 | 61% | 0.608 | 59% | 0.589 | S | S | * | * | trans | -69.2 | 121.9 | 176.7 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | W43 | S41-W43 PolarHBondContact O-N 3.12Å; S41-W43 PolarHBondContact OG-O 2.88Å | ||
| 42 | E | 82 | Confident | 82 | Confident | 122 Ų | 122 | 107 Ų | 107 | 57% | 0.57 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -69.4 | -18.9 | 176.9 | 66.8 | -179.2 | -140.9 | 0 | 0 | 113.5 | G40 R57 | G40-E42 PolarHBondContact O-N 3.24Å; E42-R57 VanDerWaalsContact CD-CZ 3.46Å; E42-R57 VanDerWaalsContact CD-NH2 3.32Å; E42-R57 IonicContact OE1-CZ 3.14Å; E42-R57 IonicContact OE1-NE 2.77Å; E42-R57 IonicContact OE1-NH1 2.69Å; E42-R57 PolarHBondContact OE1-NH1 2.69Å; E42-R57 IonicContact OE1-NH2 3.93Å; E42-R57 PolarHBondContact OE1-NH2 3.26Å; E42-R57 IonicContact OE2-CZ 2.67Å; E42-R57 VanDerWaalsContact OE2-CZ 3.26Å; E42-R57 IonicContact OE2-NH1 3.04Å; E42-R57 PolarHBondContact OE2-NH1 3.23Å; E42-R57 IonicContact OE2-NH2 3.03Å; E42-R57 PolarHBondContact OE2-NH2 3.27Å |
| 43 | W | 78.8 | Confident | 81.2 | Confident | 47 Ų | 47 | 114.3 Ų | 114.3 | 18% | 0.178 | 62% | 0.618 | C | S | . | * | S | Bend | trans | -101.8 | 151.6 | 173.9 | 21.1 | 72.7 | 0 | 0 | 0 | 111.8 | S41 R57 V58 | S41-W43 PolarHBondContact O-N 3.12Å; S41-W43 PolarHBondContact OG-O 2.88Å; W43-R57 HydrophobicContact CH2-CB 3.5Å; W43-R57 HydrophobicContact CH2-CG 3.13Å; W43-R57 VanDerWaalsContact CH2-NE 3.34Å; W43-R57 HydrophobicContact CZ2-CB 3.8Å; W43-R57 HydrophobicContact CZ2-CG 3.45Å; W43-R57 VanDerWaalsContact CZ2-CG 3.45Å; W43-R57 HydrophobicContact CZ3-CB 3.97Å; W43-R57 HydrophobicContact CZ3-CG 4.02Å; W43-V58 HydrophobicContact CZ2-CG1 4.45Å |
| 44 | R | 77.1 | Confident | 80.5 | Confident | 204 Ų | 204 | 118.4 Ų | 118.4 | 77% | 0.77 | 64% | 0.637 | S | S | * | * | trans | -118.5 | 128.5 | 170.9 | -70.6 | -179.6 | 155.5 | 149 | -2 | 109.4 | F46 | R44-F46 HydrophobicContact CB-CE2 4.19Å; R44-F46 HydrophobicContact CB-CZ 4.08Å | ||
| 45 | T | 73.2 | Confident | 80 | Confident | 102 Ų | 102 | 121 Ų | 121 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | trans | -87.2 | 115 | 164.1 | 48.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 46 | F | 75.3 | Confident | 79.7 | Confident | 146 Ų | 146 | 114 Ų | 114 | 64% | 0.64 | 63% | 0.628 | S | S | * | * | trans | -86.7 | 126.3 | 176.4 | -64.7 | -78.1 | 0 | 0 | 0 | 110 | R44 N48 D49 | R44-F46 HydrophobicContact CB-CE2 4.19Å; R44-F46 HydrophobicContact CB-CZ 4.08Å; F46-N48 PolarHBondContact O-N 3.38Å; F46-D49 PolarHBondContact O-N 3.1Å | ||
| 47 | S | 77.9 | Confident | 79.5 | Confident | 125 Ų | 125 | 120 Ų | 120 | 87% | 0.874 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -20.7 | -178.8 | -39.4 | 0 | 0 | 0 | 0 | 114 | ||
| 48 | N | 81.7 | Confident | 79.3 | Confident | 160 Ų | 160 | 117.7 Ų | 117.7 | 86% | 0.856 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -6.6 | -175.1 | -64.9 | -1.2 | 0 | 0 | 0 | 113.6 | F46 A50 | F46-N48 PolarHBondContact O-N 3.38Å; N48-A50 PolarHBondContact O-N 3.17Å |
| 49 | D | 80.1 | Confident | 79.2 | Confident | 92 Ų | 92 | 114.7 Ų | 114.7 | 49% | 0.492 | 64% | 0.638 | S | S | . | * | trans | -93.9 | 92.5 | 178.2 | -170.1 | -7.3 | 0 | 0 | 0 | 109.4 | F46 N51 A52 | F46-D49 PolarHBondContact O-N 3.1Å; D49-N51 PolarHBondContact O-N 3.38Å; D49-N51 VanDerWaalsContact O-N 3.08Å; D49-N51 PolarHBondContact OD1-N 3.34Å; D49-A52 HydrophobicContact CB-CB 3.6Å; D49-A52 WeakPolarHBondContact O-CB 3.15Å; D49-A52 PolarHBondContact O-N 3.11Å; D49-A52 PolarHBondContact OD1-N 3.17Å | ||
| 50 | A | 71.6 | Confident | 79 | Confident | 101 Ų | 101 | 112.5 Ų | 112.5 | 84% | 0.835 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -17.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | N48 | N48-A50 PolarHBondContact O-N 3.17Š|
| 51 | N | 69.8 | Low | 79 | Confident | 154 Ų | 154 | 116.8 Ų | 116.8 | 82% | 0.824 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 12.8 | 177.9 | -80.9 | -20.3 | 0 | 0 | 0 | 112.7 | D49 K53 | D49-N51 PolarHBondContact O-N 3.38Å; D49-N51 VanDerWaalsContact O-N 3.08Å; D49-N51 PolarHBondContact OD1-N 3.34Å; N51-K53 PolarHBondContact O-N 3.26Å |
| 52 | A | 67.9 | Low | 79.1 | Confident | 47 Ų | 47 | 117.2 Ų | 117.2 | 39% | 0.388 | 65% | 0.645 | S | S | . | * | trans | -64.1 | 101.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | D49 D54 | D49-A52 HydrophobicContact CB-CB 3.6Å; D49-A52 WeakPolarHBondContact O-CB 3.15Å; D49-A52 PolarHBondContact O-N 3.11Å; D49-A52 PolarHBondContact OD1-N 3.17Å; A52-D54 PolarHBondContact O-N 2.76Å | ||
| 53 | K | 75.7 | Confident | 79.3 | Confident | 186 Ų | 186 | 115 Ų | 115 | 81% | 0.809 | 64% | 0.637 | S | S | * | * | trans | -57.3 | 128.6 | 161.1 | -175.4 | 179.5 | 180 | -176.8 | 0 | 107.3 | N51 M55 | N51-K53 PolarHBondContact O-N 3.26Å; K53-M55 PolarHBondContact O-N 2.8Å | ||
| 54 | D | 77.8 | Confident | 79.8 | Confident | 105 Ų | 105 | 121.5 Ų | 121.5 | 56% | 0.561 | 67% | 0.667 | S | S | * | * | trans | -56.3 | 115.4 | 172.8 | -175.4 | 7 | 0 | 0 | 0 | 109.2 | A52 C56 | A52-D54 PolarHBondContact O-N 2.76Å; D54-C56 VanDerWaalsContact C-N 3.26Å; D54-C56 WeakPolarHBondContact OD1-CB 3.41Å; D54-C56 PolarHBondContact OD1-N 3.36Å | ||
| 55 | M | 80.2 | Confident | 80.5 | Confident | 147 Ų | 147 | 113.2 Ų | 113.2 | 72% | 0.724 | 64% | 0.638 | S | S | * | * | trans | -88.4 | 3.9 | 179.4 | -73.7 | -174.4 | 46.1 | 0 | 0 | 112.3 | K53 R57 | K53-M55 PolarHBondContact O-N 2.8Å; M55-R57 PolarHBondContact O-N 3.14Å | ||
| 56 | C | 82 | Confident | 81.3 | Confident | 47 Ų | 47 | 110.1 Ų | 110.1 | 32% | 0.318 | 62% | 0.617 | S | S | . | * | trans | -57.2 | 120.4 | 179.3 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | D54 V58 | D54-C56 VanDerWaalsContact C-N 3.26Å; D54-C56 WeakPolarHBondContact OD1-CB 3.41Å; D54-C56 PolarHBondContact OD1-N 3.36Å; C56-V58 WeakPolarHBondContact SG-CG2 3.42Å; C56-V58 PolarHBondContact SG-O 3.12Å | ||
| 57 | R | 85.5 | Confident | 81.7 | Confident | 181 Ų | 181 | 108 Ų | 108 | 68% | 0.683 | 61% | 0.612 | S | S | * | * | trans | -88.9 | -7.5 | 175.1 | 99.6 | -174.9 | 161.5 | -148.4 | -10.5 | 113.4 | E42 W43 M55 | E42-R57 VanDerWaalsContact CD-CZ 3.46Å; E42-R57 VanDerWaalsContact CD-NH2 3.32Å; E42-R57 IonicContact OE1-CZ 3.14Å; E42-R57 IonicContact OE1-NE 2.77Å; E42-R57 IonicContact OE1-NH1 2.69Å; E42-R57 PolarHBondContact OE1-NH1 2.69Å; E42-R57 IonicContact OE1-NH2 3.93Å; E42-R57 PolarHBondContact OE1-NH2 3.26Å; E42-R57 IonicContact OE2-CZ 2.67Å; E42-R57 VanDerWaalsContact OE2-CZ 3.26Å; E42-R57 IonicContact OE2-NH1 3.04Å; E42-R57 PolarHBondContact OE2-NH1 3.23Å; E42-R57 IonicContact OE2-NH2 3.03Å; E42-R57 PolarHBondContact OE2-NH2 3.27Å; W43-R57 HydrophobicContact CH2-CB 3.5Å; W43-R57 HydrophobicContact CH2-CG 3.13Å; W43-R57 VanDerWaalsContact CH2-NE 3.34Å; W43-R57 HydrophobicContact CZ2-CB 3.8Å; W43-R57 HydrophobicContact CZ2-CG 3.45Å; W43-R57 VanDerWaalsContact CZ2-CG 3.45Å; W43-R57 HydrophobicContact CZ3-CB 3.97Å; W43-R57 HydrophobicContact CZ3-CG 4.02Å; M55-R57 PolarHBondContact O-N 3.14Å | ||
| 58 | V | 85.4 | Confident | 81.1 | Confident | 97 Ų | 97 | 104.1 Ų | 104.1 | 59% | 0.588 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -97.2 | 156.8 | -179.5 | -58.8 | 0 | 0 | 0 | 0 | 111 | W43 C56 | W43-V58 HydrophobicContact CZ2-CG1 4.45Å; C56-V58 WeakPolarHBondContact SG-CG2 3.42Å; C56-V58 PolarHBondContact SG-O 3.12Å |
| 59 | G | 84 | Confident | 80.3 | Confident | 69 Ų | 69 | 99.8 Ų | 99.8 | 71% | 0.711 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 172.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 60 | A | 84.5 | Confident | 79.6 | Confident | 99 Ų | 99 | 98.4 Ų | 98.4 | 82% | 0.818 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -63 | 161.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E62 | A60-E62 PolarHBondContact O-N 3.02Š|
| 61 | T | 85.1 | Confident | 79.9 | Confident | 135 Ų | 135 | 100.7 Ų | 100.7 | 83% | 0.828 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 138.1 | 174.5 | 51.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 62 | E | 85.8 | Confident | 80.5 | Confident | 96 Ų | 96 | 96.6 Ų | 96.6 | 45% | 0.449 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -67.3 | 145.3 | 175.2 | -67.7 | -174.6 | -179.8 | 0 | 0 | 110.8 | A60 F64 L71 | A60-E62 PolarHBondContact O-N 3.02Å; E62-F64 PolarHBondContact O-N 3.27Å; E62-L71 HydrophobicContact CG-CD2 4.49Å; E62-L71 WeakPolarHBondContact OE1-CD2 3.34Å |
| 63 | N | 86.7 | Confident | 81.3 | Confident | 75 Ų | 75 | 100.3 Ų | 100.3 | 40% | 0.401 | 58% | 0.577 | S | S | . | * | trans | -80.4 | 104.8 | 170.4 | -174.8 | -9 | 0 | 0 | 0 | 109.2 | L65 L66 | N63-L65 PolarHBondContact O-N 3.15Å; N63-L65 WeakPolarHBondContact OD1-CB 3.49Å; N63-L65 PolarHBondContact OD1-N 2.66Å; N63-L66 HydrophobicContact CB-CD1 4.18Å; N63-L66 HydrophobicContact CB-CG 4.18Å; N63-L66 PolarHBondContact O-N 3.08Å | ||
| 64 | F | 89.3 | Confident | 81.8 | Confident | 184 Ų | 184 | 99 Ų | 99 | 81% | 0.807 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -16.3 | 177.8 | -54.8 | -73.1 | 0 | 0 | 0 | 114.3 | E62 L66 K136 | E62-F64 PolarHBondContact O-N 3.27Å; F64-L66 VanDerWaalsContact C-N 3.31Å; F64-K136 PolarHBondContact O-NZ 3.2Å |
| 65 | L | 91.4 | Very high | 82.2 | Confident | 30 Ų | 30 | 98.3 Ų | 98.3 | 16% | 0.157 | 57% | 0.571 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -80.1 | -10.4 | 174.7 | -61.9 | 179.6 | 0 | 0 | 0 | 113.7 | N63 F111 N132 L133 K136 | N63-L65 PolarHBondContact O-N 3.15Å; N63-L65 WeakPolarHBondContact OD1-CB 3.49Å; N63-L65 PolarHBondContact OD1-N 2.66Å; L65-F111 HydrophobicContact CB-CE2 3.78Å; L65-F111 HydrophobicContact CB-CZ 3.81Å; L65-F111 HydrophobicContact CD1-CE2 4.28Å; L65-F111 HydrophobicContact CD1-CZ 4.1Å; L65-N132 HydrophobicContact CD1-CB 3.58Å; L65-L133 HydrophobicContact CD2-CB 4.37Å; L65-L133 HydrophobicContact CD2-CD1 3.82Å; L65-K136 HydrophobicContact CB-CD 4.13Å; L65-K136 HydrophobicContact CD2-CB 4.48Å; L65-K136 HydrophobicContact CD2-CD 3.83Å; L65-K136 WeakPolarHBondContact O-CD 3.47Å; L65-K136 VanDerWaalsContact O-CE 3.31Å; L65-K136 WeakPolarHBondContact O-CE 3.29Å; L65-K136 PolarHBondContact O-NZ 3.02Å |
| 66 | L | 90.4 | Very high | 82.4 | Confident | 37 Ų | 37 | 96 Ų | 96 | 19% | 0.194 | 57% | 0.569 | C | S | . | * | S | Bend | trans | -95.3 | 166.1 | 171.4 | -56.8 | -179.7 | 0 | 0 | 0 | 109.9 | N63 F64 G68 D104 L107 L108 F111 K136 | N63-L66 HydrophobicContact CB-CD1 4.18Å; N63-L66 HydrophobicContact CB-CG 4.18Å; N63-L66 PolarHBondContact O-N 3.08Å; F64-L66 VanDerWaalsContact C-N 3.31Å; L66-G68 PolarHBondContact O-N 3.41Å; L66-D104 HydrophobicContact CD2-CB 4.25Å; L66-L107 HydrophobicContact CD2-CB 3.86Å; L66-L107 HydrophobicContact CD2-CD1 4.03Å; L66-L108 HydrophobicContact CD1-CD2 4.04Å; L66-L108 HydrophobicContact CD1-CG 4.31Å; L66-L108 HydrophobicContact CD2-CD2 4.28Å; L66-L108 HydrophobicContact CD2-CG 4.17Å; L66-F111 HydrophobicContact CD2-CE2 4.05Å; L66-K136 PolarHBondContact O-NZ 2.64Å |
| 67 | D | 82.3 | Confident | 82.4 | Confident | 100 Ų | 100 | 96.5 Ų | 96.5 | 54% | 0.535 | 58% | 0.582 | S | S | . | * | trans | -77.8 | 15.6 | -178.1 | -68.7 | -20.9 | 0 | 0 | 0 | 113.1 | G69 D104 | D67-G69 PolarHBondContact O-N 3.4Å; D67-D104 PolarHBondContact N-OD1 3.15Å | ||
| 68 | G | 65.2 | Low | 82.2 | Confident | 44 Ų | 44 | 90.5 Ų | 90.5 | 45% | 0.454 | 57% | 0.566 | S | S | . | * | S | Bend | trans | 69.7 | 22.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L66 | L66-G68 PolarHBondContact O-N 3.41Š|
| 69 | G | 65.1 | Low | 82 | Confident | 69 Ų | 69 | 88.2 Ų | 88.2 | 71% | 0.711 | 56% | 0.555 | S | S | * | * | trans | -100.6 | -10.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | D67 | D67-G69 PolarHBondContact O-N 3.4Š| ||
| 70 | D | 66.1 | Low | 81.7 | Confident | 63 Ų | 63 | 91.7 Ų | 91.7 | 34% | 0.337 | 57% | 0.565 | S | S | . | * | trans | -123.8 | 77.2 | -165.2 | -160.5 | 3.6 | 0 | 0 | 0 | 112.7 | S72 | D70-S72 PolarHBondContact O-N 3.28Å; D70-S72 WeakPolarHBondContact OD1-CB 3.12Å; D70-S72 PolarHBondContact OD1-N 2.91Å; D70-S72 PolarHBondContact OD1-OG 3.45Å; D70-S72 PolarHBondContact OD2-OG 2.98Å | ||
| 71 | L | 78.1 | Confident | 81.5 | Confident | 149 Ų | 149 | 92 Ų | 92 | 78% | 0.78 | 56% | 0.561 | S | S | * | * | trans | -73 | 42.2 | 167.1 | -68.8 | 173.5 | 0 | 0 | 0 | 111.7 | E62 | E62-L71 HydrophobicContact CG-CD2 4.49Å; E62-L71 WeakPolarHBondContact OE1-CD2 3.34Å | ||
| 72 | S | 81.7 | Confident | 81.3 | Confident | 69 Ų | 69 | 87.8 Ų | 87.8 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | trans | -84.1 | 156.8 | -178.7 | 55.7 | 0 | 0 | 0 | 0 | 113 | D70 | D70-S72 PolarHBondContact O-N 3.28Å; D70-S72 WeakPolarHBondContact OD1-CB 3.12Å; D70-S72 PolarHBondContact OD1-N 2.91Å; D70-S72 PolarHBondContact OD1-OG 3.45Å; D70-S72 PolarHBondContact OD2-OG 2.98Å | ||
| 73 | T | 85.1 | Confident | 80.9 | Confident | 124 Ų | 124 | 87.8 Ų | 87.8 | 76% | 0.761 | 54% | 0.544 | S | S | * | . | trans | -109.8 | 155.6 | 169.8 | 57.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 74 | M | 86.2 | Confident | 80.7 | Confident | 158 Ų | 158 | 94.6 Ų | 94.6 | 78% | 0.778 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 129.6 | 173.8 | -64.7 | -167.4 | -72.7 | 0 | 0 | 109.9 | S76 N96 | M74-S76 PolarHBondContact O-N 2.98Å; M74-N96 WeakPolarHBondContact CB-ND2 3.36Å; M74-N96 WeakPolarHBondContact CG-ND2 3.39Å |
| 75 | I | 86.6 | Confident | 80.4 | Confident | 91 Ų | 91 | 88.7 Ų | 88.7 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 128.5 | 172.1 | -54.8 | 174.5 | 0 | 0 | 0 | 108.3 | ||
| 76 | S | 84.4 | Confident | 80 | Confident | 100 Ų | 100 | 90.1 Ų | 90.1 | 70% | 0.699 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 152 | 175.4 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | M74 | M74-S76 PolarHBondContact O-N 2.98Š|
| 77 | G | 82.3 | Confident | 79.8 | Confident | 57 Ų | 57 | 90.5 Ų | 90.5 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 163.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 78 | P | 81 | Confident | 79.9 | Confident | 54 Ų | 54 | 94.9 Ų | 94.9 | 35% | 0.351 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 142.8 | -179.3 | 27.6 | -34.6 | 0 | 0 | 0 | 111.4 | Q85 L86 P92 | P78-Q85 HydrophobicContact CB-CB 3.76Å; P78-L86 HydrophobicContact CB-CD2 4.05Å; P78-L86 HydrophobicContact CG-CD2 3.86Å; P78-P92 HydrophobicContact CG-CB 4.12Å |
| 79 | S | 81.6 | Confident | 80.9 | Confident | 50 Ų | 50 | 99.9 Ų | 99.9 | 35% | 0.35 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 134 | 174.4 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | S81 D82 | S79-S81 PolarHBondContact O-N 2.83Å; S79-S81 PolarHBondContact OG-N 3.39Å; S79-S81 PolarHBondContact OG-OG 2.84Å; S79-D82 PolarHBondContact O-N 3.48Å |
| 80 | P | 76 | Confident | 81.8 | Confident | 141 Ų | 141 | 98.9 Ų | 98.9 | 92% | 0.916 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -23.7 | 176.2 | -24.2 | 33 | 0 | 0 | 0 | 113.8 | ||
| 81 | S | 81.7 | Confident | 82.7 | Confident | 105 Ų | 105 | 101.1 Ų | 101.1 | 73% | 0.734 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -13.1 | -178.8 | 58 | 0 | 0 | 0 | 0 | 114.8 | S79 | S79-S81 PolarHBondContact O-N 2.83Å; S79-S81 PolarHBondContact OG-N 3.39Å; S79-S81 PolarHBondContact OG-OG 2.84Å |
| 82 | D | 80.9 | Confident | 83.1 | Confident | 48 Ų | 48 | 96.4 Ų | 96.4 | 26% | 0.257 | 55% | 0.552 | S | S | . | * | trans | -116.6 | 86.7 | -172.2 | -169.8 | 13.2 | 0 | 0 | 0 | 111.7 | S79 R84 Q85 | S79-D82 PolarHBondContact O-N 3.48Å; D82-R84 PolarHBondContact O-N 3.02Å; D82-R84 VanDerWaalsContact OD1-CB 3.25Å; D82-R84 WeakPolarHBondContact OD1-CB 3.43Å; D82-R84 WeakPolarHBondContact OD1-CD 3.31Å; D82-R84 VanDerWaalsContact OD1-CG 3.31Å; D82-R84 WeakPolarHBondContact OD1-CG 3.4Å; D82-R84 PolarHBondContact OD1-N 3.42Å; D82-Q85 HydrophobicContact CB-CG 4.42Å; D82-Q85 PolarHBondContact O-N 2.99Å; D82-Q85 PolarHBondContact OD2-NE2 3.39Å | ||
| 83 | S | 76.5 | Confident | 83.2 | Confident | 95 Ų | 95 | 98.7 Ų | 98.7 | 66% | 0.664 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -60.4 | -14.5 | 177.3 | -48.2 | 0 | 0 | 0 | 0 | 113.5 | Q85 L86 | S83-Q85 PolarHBondContact O-N 2.9Å; S83-L86 PolarHBondContact O-N 3.5Å |
| 84 | R | 82.3 | Confident | 83.2 | Confident | 219 Ų | 219 | 100.8 Ų | 100.8 | 83% | 0.826 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -67.7 | -14.8 | 178.1 | -59.3 | 173.8 | 179 | 151.7 | -0.5 | 113.2 | D82 L86 | D82-R84 PolarHBondContact O-N 3.02Å; D82-R84 VanDerWaalsContact OD1-CB 3.25Å; D82-R84 WeakPolarHBondContact OD1-CB 3.43Å; D82-R84 WeakPolarHBondContact OD1-CD 3.31Å; D82-R84 VanDerWaalsContact OD1-CG 3.31Å; D82-R84 WeakPolarHBondContact OD1-CG 3.4Å; D82-R84 PolarHBondContact OD1-N 3.42Å; R84-L86 VanDerWaalsContact C-N 3.31Å |
| 85 | Q | 83.3 | Confident | 83 | Confident | 59 Ų | 59 | 100.3 Ų | 100.3 | 28% | 0.276 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -89.5 | -2 | -179.6 | -59.2 | -178.8 | -7.6 | 0 | 0 | 112.6 | P78 D82 S83 M93 | P78-Q85 HydrophobicContact CB-CB 3.76Å; D82-Q85 HydrophobicContact CB-CG 4.42Å; D82-Q85 PolarHBondContact O-N 2.99Å; D82-Q85 PolarHBondContact OD2-NE2 3.39Å; S83-Q85 PolarHBondContact O-N 2.9Å; Q85-M93 PolarHBondContact O-N 3.25Å |
| 86 | L | 83.4 | Confident | 82.8 | Confident | 61 Ų | 61 | 99.3 Ų | 99.3 | 32% | 0.319 | 54% | 0.537 | S | S | . | . | B | Isolated β-bridge | trans | -105.6 | 145.1 | -179.7 | -55.7 | 178.7 | 0 | 0 | 0 | 110.6 | P78 S83 R84 K91 | P78-L86 HydrophobicContact CB-CD2 4.05Å; P78-L86 HydrophobicContact CG-CD2 3.86Å; S83-L86 PolarHBondContact O-N 3.5Å; R84-L86 VanDerWaalsContact C-N 3.31Å; L86-K91 CarbonylContact C-O 3.56Å; L86-K91 VanDerWaalsContact CA-O 3.31Å; L86-K91 WeakPolarHBondContact CA-O 3.44Å |
| 87 | D | 85 | Confident | 82.6 | Confident | 45 Ų | 45 | 104.3 Ų | 104.3 | 24% | 0.241 | 54% | 0.54 | C | S | . | . | trans | -72.2 | 173.1 | 166.8 | 69.5 | 16.5 | 0 | 0 | 0 | 111.1 | H89 G90 K91 M93 | D87-H89 PolarHBondContact O-N 3.42Å; D87-H89 VanDerWaalsContact OD1-C 3.26Å; D87-H89 WeakPolarHBondContact OD1-CA 3.14Å; D87-H89 WeakPolarHBondContact OD1-CB 3.01Å; D87-H89 PolarHBondContact OD1-N 3Å; D87-G90 PolarHBondContact O-N 3.07Å; D87-G90 PolarHBondContact OD1-N 3.38Å; D87-G90 VanDerWaalsContact OD1-N 3.08Å; D87-K91 PolarHBondContact N-O 2.91Å; D87-K91 WeakPolarHBondContact OD1-CB 3.46Å; D87-K91 PolarHBondContact OD1-N 3.42Å; D87-K91 WeakPolarHBondContact OD2-CB 3.48Å; D87-M93 HydrophobicContact CB-CE 4.16Å; D87-M93 HydrophobicContact CB-CG 4.21Å | ||
| 88 | E | 86.3 | Confident | 82.2 | Confident | 192 Ų | 192 | 111.9 Ų | 111.9 | 90% | 0.897 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -21.9 | 178.2 | -170.4 | 177.8 | 175.6 | 0 | 0 | 113.1 | ||
| 89 | H | 86.2 | Confident | 82.1 | Confident | 149 Ų | 149 | 114.6 Ų | 114.6 | 69% | 0.69 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 10.2 | 179.5 | -57.4 | 80.4 | 0 | 0 | 0 | 112.9 | D87 K91 | D87-H89 PolarHBondContact O-N 3.42Å; D87-H89 VanDerWaalsContact OD1-C 3.26Å; D87-H89 WeakPolarHBondContact OD1-CA 3.14Å; D87-H89 WeakPolarHBondContact OD1-CB 3.01Å; D87-H89 PolarHBondContact OD1-N 3Å; H89-K91 VanDerWaalsContact C-N 3.32Å; H89-K91 PolarHBondContact O-N 2.84Å |
| 90 | G | 83.3 | Confident | 82.1 | Confident | 48 Ų | 48 | 115 Ų | 115 | 50% | 0.495 | 56% | 0.56 | S | S | . | * | S | Bend | trans | 74.8 | 14.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | D87 | D87-G90 PolarHBondContact O-N 3.07Å; D87-G90 PolarHBondContact OD1-N 3.38Å; D87-G90 VanDerWaalsContact OD1-N 3.08Å |
| 91 | K | 84.8 | Confident | 82.6 | Confident | 110 Ų | 110 | 111.1 Ų | 111.1 | 48% | 0.478 | 54% | 0.536 | S | S | . | . | trans | -92.5 | 148.5 | 176.9 | -55.9 | 173.8 | -178.9 | 168.6 | 0 | 110.1 | L86 D87 H89 M93 | L86-K91 CarbonylContact C-O 3.56Å; L86-K91 VanDerWaalsContact CA-O 3.31Å; L86-K91 WeakPolarHBondContact CA-O 3.44Å; D87-K91 PolarHBondContact N-O 2.91Å; D87-K91 WeakPolarHBondContact OD1-CB 3.46Å; D87-K91 PolarHBondContact OD1-N 3.42Å; D87-K91 WeakPolarHBondContact OD2-CB 3.48Å; H89-K91 VanDerWaalsContact C-N 3.32Å; H89-K91 PolarHBondContact O-N 2.84Å; K91-M93 PolarHBondContact O-N 3.31Å | ||
| 92 | P | 86 | Confident | 82.8 | Confident | 50 Ų | 50 | 109.5 Ų | 109.5 | 33% | 0.325 | 53% | 0.529 | S | S | . | . | B | Isolated β-bridge | trans | -60.7 | 126.4 | 177.2 | 24.5 | -33.9 | 0 | 0 | 0 | 111 | P78 R95 | P78-P92 HydrophobicContact CG-CB 4.12Å; P92-R95 HydrophobicContact CG-CG 4.5Å; P92-R95 PolarHBondContact O-NE 2.89Å |
| 93 | M | 84.7 | Confident | 83.1 | Confident | 116 Ų | 116 | 109.4 Ų | 109.4 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -64.8 | -44.9 | 175.7 | -75.8 | -142.7 | 174.7 | 0 | 0 | 111.1 | Q85 D87 K91 | Q85-M93 PolarHBondContact O-N 3.25Å; D87-M93 HydrophobicContact CB-CE 4.16Å; D87-M93 HydrophobicContact CB-CG 4.21Å; K91-M93 PolarHBondContact O-N 3.31Å |
| 94 | Y | 85.1 | Confident | 83.8 | Confident | 168 Ų | 168 | 105.3 Ų | 105.3 | 66% | 0.659 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -91.4 | 121.2 | 175.3 | -54.7 | -74 | 0 | 0 | 0 | 109.9 | ||
| 95 | R | 81.8 | Confident | 84.2 | Confident | 149 Ų | 149 | 101.6 Ų | 101.6 | 56% | 0.562 | 49% | 0.488 | S | S | * | . | trans | -116.9 | 134 | 179.2 | -61.2 | -173.7 | -174.3 | 177.7 | 5.7 | 109.6 | P92 R97 | P92-R95 HydrophobicContact CG-CG 4.5Å; P92-R95 PolarHBondContact O-NE 2.89Å; R95-R97 PolarHBondContact O-N 3.07Å | ||
| 96 | N | 82.9 | Confident | 84.6 | Confident | 70 Ų | 70 | 100.8 Ų | 100.8 | 37% | 0.374 | 49% | 0.487 | S | S | . | . | trans | -64.8 | 121.2 | 175.1 | -165.9 | 16.9 | 0 | 0 | 0 | 109.8 | M74 | M74-N96 WeakPolarHBondContact CB-ND2 3.36Å; M74-N96 WeakPolarHBondContact CG-ND2 3.39Å | ||
| 97 | R | 78.4 | Confident | 85.1 | Confident | 205 Ų | 205 | 98 Ų | 98 | 77% | 0.774 | 47% | 0.472 | S | S | * | . | trans | -88.8 | 121.3 | 174.8 | -71.5 | -173.5 | 178.6 | -179 | 1 | 108.3 | R95 N99 | R95-R97 PolarHBondContact O-N 3.07Å; R97-N99 VanDerWaalsContact C-N 3.32Å; R97-N99 PolarHBondContact O-N 2.8Å | ||
| 98 | R | 75.1 | Confident | 85.6 | Confident | 216 Ų | 216 | 98.4 Ų | 98.4 | 82% | 0.815 | 47% | 0.474 | S | S | * | . | trans | -74.8 | 86.2 | 174.9 | -66.2 | -175.8 | -179.4 | -178.3 | 0.2 | 109.4 | I100 | R98-I100 PolarHBondContact O-N 2.73Š| ||
| 99 | N | 78.1 | Confident | 86 | Confident | 111 Ų | 111 | 92 Ų | 92 | 59% | 0.594 | 45% | 0.451 | S | S | * | . | trans | -83.6 | 20.7 | -178.9 | -71.7 | -10.9 | 0 | 0 | 0 | 114.2 | R97 S101 | R97-N99 VanDerWaalsContact C-N 3.32Å; R97-N99 PolarHBondContact O-N 2.8Å; N99-S101 PolarHBondContact O-N 2.96Å | ||
| 100 | I | 82.8 | Confident | 86.4 | Confident | 58 Ų | 58 | 85 Ų | 85 | 30% | 0.297 | 42% | 0.419 | S | S | . | . | trans | -68.8 | 126.9 | 178 | -57.5 | 166.9 | 0 | 0 | 0 | 109.7 | R98 D104 R105 L108 | R98-I100 PolarHBondContact O-N 2.73Å; I100-D104 HydrophobicContact CG2-CB 3.8Å; I100-R105 HydrophobicContact CG2-CB 4.17Å; I100-R105 PolarHBondContact O-NH2 3Å; I100-L108 HydrophobicContact CD1-CD1 4.02Å; I100-L108 HydrophobicContact CG2-CD1 3.98Å | ||
| 101 | S | 85.6 | Confident | 87.1 | Confident | 59 Ų | 59 | 83.3 Ų | 83.3 | 41% | 0.413 | 40% | 0.398 | S | S | . | . | trans | -51.2 | 144.7 | 174.6 | -168.9 | 0 | 0 | 0 | 0 | 111.5 | N99 P103 D104 R105 | N99-S101 PolarHBondContact O-N 2.96Å; S101-P103 VanDerWaalsContact OG-CD 3.27Å; S101-P103 WeakPolarHBondContact OG-CD 3.31Å; S101-P103 WeakPolarHBondContact OG-CG 3.21Å; S101-D104 PolarHBondContact O-N 3.33Å; S101-R105 WeakPolarHBondContact O-CB 3.19Å; S101-R105 PolarHBondContact O-N 3.4Å | ||
| 102 | A | 86.3 | Confident | 87.6 | Confident | 71 Ų | 71 | 85.5 Ų | 85.5 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -54.8 | -46.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R105 V106 | A102-R105 PolarHBondContact O-N 3.1Å; A102-V106 PolarHBondContact O-N 3.4Å |
| 103 | P | 88 | Confident | 88.2 | Confident | 47 Ų | 47 | 84.2 Ų | 84.2 | 31% | 0.305 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 173.1 | 21.7 | -35.4 | 0 | 0 | 0 | 113 | S101 R105 V106 L107 | S101-P103 VanDerWaalsContact OG-CD 3.27Å; S101-P103 WeakPolarHBondContact OG-CD 3.31Å; S101-P103 WeakPolarHBondContact OG-CG 3.21Å; P103-R105 VanDerWaalsContact C-N 3.25Å; P103-R105 PolarHBondContact O-N 3.42Å; P103-V106 WeakPolarHBondContact O-CB 3.4Å; P103-V106 PolarHBondContact O-N 3.41Å; P103-L107 PolarHBondContact O-N 2.92Å; P103-L107 VanDerWaalsContact O-N 3.08Å |
| 104 | D | 90.3 | Very high | 88.8 | Confident | 8 Ų | 8 | 78.7 Ų | 78.7 | 4% | 0.043 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.6 | -34.1 | -179.6 | -68 | -33.5 | 0 | 0 | 0 | 112.1 | L66 D67 I100 S101 V106 L107 L108 | L66-D104 HydrophobicContact CD2-CB 4.25Å; D67-D104 PolarHBondContact N-OD1 3.15Å; I100-D104 HydrophobicContact CG2-CB 3.8Å; S101-D104 PolarHBondContact O-N 3.33Å; D104-V106 VanDerWaalsContact C-N 3.27Å; D104-V106 PolarHBondContact O-N 2.89Å; D104-L107 PolarHBondContact O-N 3.22Å; D104-L108 WeakPolarHBondContact O-CB 3.38Å; D104-L108 VanDerWaalsContact O-CG 3.28Å; D104-L108 WeakPolarHBondContact O-CG 3.08Å; D104-L108 PolarHBondContact O-N 3.04Å |
| 105 | R | 90.4 | Very high | 89.4 | Confident | 142 Ų | 142 | 72.1 Ų | 72.1 | 54% | 0.536 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.3 | -37.8 | 175 | -170.8 | -178 | -58.3 | -170.7 | 1.8 | 112 | I100 S101 A102 P103 S109 | I100-R105 HydrophobicContact CG2-CB 4.17Å; I100-R105 PolarHBondContact O-NH2 3Å; S101-R105 WeakPolarHBondContact O-CB 3.19Å; S101-R105 PolarHBondContact O-N 3.4Å; A102-R105 PolarHBondContact O-N 3.1Å; P103-R105 VanDerWaalsContact C-N 3.25Å; P103-R105 PolarHBondContact O-N 3.42Å; R105-S109 WeakPolarHBondContact O-CB 3.47Å; R105-S109 PolarHBondContact O-N 2.93Å; R105-S109 VanDerWaalsContact O-N 3.07Å |
| 106 | V | 92.9 | Very high | 90.1 | Very high | 41 Ų | 41 | 70.3 Ų | 70.3 | 25% | 0.248 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.1 | -47.6 | 176 | 174.4 | 0 | 0 | 0 | 0 | 110 | A102 P103 D104 L108 S109 A110 N149 | A102-V106 PolarHBondContact O-N 3.4Å; P103-V106 WeakPolarHBondContact O-CB 3.4Å; P103-V106 PolarHBondContact O-N 3.41Å; D104-V106 VanDerWaalsContact C-N 3.27Å; D104-V106 PolarHBondContact O-N 2.89Å; V106-L108 PolarHBondContact O-N 3.36Å; V106-S109 WeakPolarHBondContact O-CB 3.38Å; V106-S109 PolarHBondContact O-N 2.59Å; V106-A110 PolarHBondContact O-N 3.44Å; V106-N149 WeakPolarHBondContact CG1-ND2 3.42Å |
| 107 | L | 94.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.4 | -50.1 | 176.8 | -66.3 | 174.3 | 0 | 0 | 0 | 111.3 | L66 P103 D104 S109 A110 F111 F135 H139 | L66-L107 HydrophobicContact CD2-CB 3.86Å; L66-L107 HydrophobicContact CD2-CD1 4.03Å; P103-L107 PolarHBondContact O-N 2.92Å; P103-L107 VanDerWaalsContact O-N 3.08Å; D104-L107 PolarHBondContact O-N 3.22Å; L107-S109 VanDerWaalsContact C-N 3.28Å; L107-S109 PolarHBondContact O-N 3.06Å; L107-A110 WeakPolarHBondContact O-CB 3.46Å; L107-A110 PolarHBondContact O-N 3.06Å; L107-A110 VanDerWaalsContact O-N 3.12Å; L107-F111 HydrophobicContact CB-CE2 3.94Å; L107-F111 HydrophobicContact CB-CZ 3.97Å; L107-F111 HydrophobicContact CD2-CE1 4.48Å; L107-F111 HydrophobicContact CD2-CZ 4.14Å; L107-F111 WeakPolarHBondContact O-CD1 3.39Å; L107-F111 WeakPolarHBondContact O-CD2 3.27Å; L107-F111 WeakPolarHBondContact O-CG 3.42Å; L107-F111 PolarHBondContact O-N 3.08Å; L107-F135 HydrophobicContact CD2-CD1 3.91Å; L107-F135 HydrophobicContact CD2-CE1 3.95Å; L107-H139 HydrophobicContact CD2-CB 4.22Å |
| 108 | L | 93.8 | Very high | 91.8 | Very high | 53 Ų | 53 | 57.5 Ų | 57.5 | 28% | 0.277 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.5 | -32.1 | 177.7 | -73 | 174.6 | 0 | 0 | 0 | 113.3 | L66 I100 D104 V106 R112 | L66-L108 HydrophobicContact CD1-CD2 4.04Å; L66-L108 HydrophobicContact CD1-CG 4.31Å; L66-L108 HydrophobicContact CD2-CD2 4.28Å; L66-L108 HydrophobicContact CD2-CG 4.17Å; I100-L108 HydrophobicContact CD1-CD1 4.02Å; I100-L108 HydrophobicContact CG2-CD1 3.98Å; D104-L108 WeakPolarHBondContact O-CB 3.38Å; D104-L108 VanDerWaalsContact O-CG 3.28Å; D104-L108 WeakPolarHBondContact O-CG 3.08Å; D104-L108 PolarHBondContact O-N 3.04Å; V106-L108 PolarHBondContact O-N 3.36Å; L108-R112 VanDerWaalsContact O-CG 3.29Å; L108-R112 WeakPolarHBondContact O-CG 3.37Å; L108-R112 PolarHBondContact O-N 3.37Å; L108-R112 PolarHBondContact O-NE 3.17Å; L108-R112 VanDerWaalsContact O-NE 3.14Å |
| 109 | S | 94.6 | Very high | 92.8 | Very high | 58 Ų | 58 | 53.6 Ų | 53.6 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.9 | -45 | 173.3 | -164 | 0 | 0 | 0 | 0 | 111.2 | R105 V106 L107 R112 E113 | R105-S109 WeakPolarHBondContact O-CB 3.47Å; R105-S109 PolarHBondContact O-N 2.93Å; R105-S109 VanDerWaalsContact O-N 3.07Å; V106-S109 WeakPolarHBondContact O-CB 3.38Å; V106-S109 PolarHBondContact O-N 2.59Å; L107-S109 VanDerWaalsContact C-N 3.28Å; L107-S109 PolarHBondContact O-N 3.06Å; S109-R112 PolarHBondContact O-N 3.13Å; S109-E113 PolarHBondContact O-N 2.9Å; S109-E113 VanDerWaalsContact O-N 3.15Å |
| 110 | A | 96.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V106 L107 R112 E113 I114 F135 S153 | V106-A110 PolarHBondContact O-N 3.44Å; L107-A110 WeakPolarHBondContact O-CB 3.46Å; L107-A110 PolarHBondContact O-N 3.06Å; L107-A110 VanDerWaalsContact O-N 3.12Å; A110-R112 VanDerWaalsContact C-N 3.29Å; A110-R112 PolarHBondContact O-N 3.33Å; A110-E113 PolarHBondContact O-N 3.05Å; A110-E113 VanDerWaalsContact O-N 3.12Å; A110-I114 WeakPolarHBondContact O-CG1 3.48Å; A110-I114 PolarHBondContact O-N 3.39Å; A110-F135 HydrophobicContact CB-CD1 3.71Å; A110-F135 HydrophobicContact CB-CD2 4.02Å; A110-F135 HydrophobicContact CB-CE1 3.29Å; A110-F135 HydrophobicContact CB-CE2 3.61Å; A110-F135 HydrophobicContact CB-CG 4.07Å; A110-F135 HydrophobicContact CB-CZ 3.24Å; A110-S153 WeakPolarHBondContact CB-OG 3.38Å |
| 111 | F | 96.8 | Very high | 94.3 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 6% | 0.057 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.9 | -35 | 179.3 | -60.1 | -18.6 | 0 | 0 | 0 | 112.5 | L65 L66 L107 S115 N132 F135 | L65-F111 HydrophobicContact CB-CE2 3.78Å; L65-F111 HydrophobicContact CB-CZ 3.81Å; L65-F111 HydrophobicContact CD1-CE2 4.28Å; L65-F111 HydrophobicContact CD1-CZ 4.1Å; L66-F111 HydrophobicContact CD2-CE2 4.05Å; L107-F111 HydrophobicContact CB-CE2 3.94Å; L107-F111 HydrophobicContact CB-CZ 3.97Å; L107-F111 HydrophobicContact CD2-CE1 4.48Å; L107-F111 HydrophobicContact CD2-CZ 4.14Å; L107-F111 WeakPolarHBondContact O-CD1 3.39Å; L107-F111 WeakPolarHBondContact O-CD2 3.27Å; L107-F111 WeakPolarHBondContact O-CG 3.42Å; L107-F111 PolarHBondContact O-N 3.08Å; F111-S115 WeakPolarHBondContact O-CB 3.49Å; F111-S115 PolarHBondContact O-N 3.11Å; F111-S115 PolarHBondContact O-OG 2.84Å; F111-N132 WeakPolarHBondContact CA-OD1 3.32Å; F111-N132 HydrophobicContact CD1-CB 3.58Å; F111-N132 VanDerWaalsContact CD1-CG 3.45Å; F111-N132 WeakPolarHBondContact CD1-OD1 3.01Å; F111-N132 HydrophobicContact CE1-CB 3.65Å; F111-N132 WeakPolarHBondContact CE1-O 3.5Å; F111-N132 HydrophobicContact CG-CB 4.21Å; F111-N132 HydrophobicContact CZ-CB 4.32Å; F111-F135 HydrophobicContact CE1-CB 4.41Å; F111-F135 HydrophobicContact CE1-CD1 4.17Å |
| 112 | R | 96.7 | Very high | 94.8 | Very high | 155 Ų | 155 | 57.1 Ų | 57.1 | 59% | 0.585 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.2 | -43.6 | 172.1 | -76.5 | -176.7 | -65.3 | 146.9 | 1.6 | 111.7 | L108 S109 A110 S115 Q116 | L108-R112 VanDerWaalsContact O-CG 3.29Å; L108-R112 WeakPolarHBondContact O-CG 3.37Å; L108-R112 PolarHBondContact O-N 3.37Å; L108-R112 PolarHBondContact O-NE 3.17Å; L108-R112 VanDerWaalsContact O-NE 3.14Å; S109-R112 PolarHBondContact O-N 3.13Å; A110-R112 VanDerWaalsContact C-N 3.29Å; A110-R112 PolarHBondContact O-N 3.33Å; R112-S115 PolarHBondContact O-N 3.35Å; R112-Q116 WeakPolarHBondContact O-CG 3.33Å; R112-Q116 PolarHBondContact O-N 3.37Å |
| 113 | E | 96.8 | Very high | 95.3 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 11% | 0.112 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 177.5 | -171.2 | 179.5 | -170.6 | 0 | 0 | 112.2 | S109 A110 S115 Q116 M117 D150 | S109-E113 PolarHBondContact O-N 2.9Å; S109-E113 VanDerWaalsContact O-N 3.15Å; A110-E113 PolarHBondContact O-N 3.05Å; A110-E113 VanDerWaalsContact O-N 3.12Å; E113-S115 VanDerWaalsContact C-N 3.35Å; E113-S115 PolarHBondContact O-N 3.47Å; E113-Q116 PolarHBondContact O-N 3.13Å; E113-M117 HydrophobicContact CG-CE 4.17Å; E113-M117 WeakPolarHBondContact O-CG 3.37Å; E113-M117 PolarHBondContact O-N 3.49Å; E113-D150 WeakPolarHBondContact OE1-CA 3.16Å; E113-D150 WeakPolarHBondContact OE1-CB 3.16Å; E113-D150 WeakPolarHBondContact OE2-CA 3.45Å |
| 114 | I | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 174.3 | -70.7 | 170.2 | 0 | 0 | 0 | 110.5 | A110 M117 G118 A131 N132 F135 L157 | A110-I114 WeakPolarHBondContact O-CG1 3.48Å; A110-I114 PolarHBondContact O-N 3.39Å; I114-M117 HydrophobicContact CG1-CE 4.39Å; I114-M117 PolarHBondContact O-N 2.94Å; I114-G118 PolarHBondContact O-N 2.96Å; I114-A131 HydrophobicContact CD1-CB 4.37Å; I114-A131 HydrophobicContact CG2-CB 3.64Å; I114-N132 WeakPolarHBondContact CD1-OD1 3.28Å; I114-F135 HydrophobicContact CD1-CB 4.02Å; I114-F135 HydrophobicContact CD1-CD2 4.45Å; I114-F135 HydrophobicContact CD1-CG 4.39Å; I114-L157 HydrophobicContact CG2-CD1 4.39Å |
| 115 | S | 97.6 | Very high | 96 | Very high | 29 Ų | 29 | 61.1 Ų | 61.1 | 20% | 0.203 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 179 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | F111 R112 E113 G118 E119 | F111-S115 WeakPolarHBondContact O-CB 3.49Å; F111-S115 PolarHBondContact O-N 3.11Å; F111-S115 PolarHBondContact O-OG 2.84Å; R112-S115 PolarHBondContact O-N 3.35Å; E113-S115 VanDerWaalsContact C-N 3.35Å; E113-S115 PolarHBondContact O-N 3.47Å; S115-G118 PolarHBondContact O-N 3.39Å; S115-E119 WeakPolarHBondContact O-CG 3.3Å; S115-E119 PolarHBondContact O-N 2.9Å |
| 116 | Q | 97.4 | Very high | 96.3 | Very high | 112 Ų | 112 | 57.7 Ų | 57.7 | 52% | 0.523 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.2 | -49.5 | 175.3 | -74.9 | 176.2 | 9.2 | 0 | 0 | 111.8 | R112 E113 G118 E119 H120 | R112-Q116 WeakPolarHBondContact O-CG 3.33Å; R112-Q116 PolarHBondContact O-N 3.37Å; E113-Q116 PolarHBondContact O-N 3.13Å; Q116-G118 VanDerWaalsContact C-N 3.25Å; Q116-G118 PolarHBondContact O-N 2.86Å; Q116-E119 PolarHBondContact O-N 2.93Å; Q116-H120 PolarHBondContact O-N 3.42Å; Q116-H120 PolarHBondContact O-ND1 3.43Å |
| 117 | M | 97.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 177.1 | -72.1 | -172.7 | -65.8 | 0 | 0 | 111.9 | E113 I114 H120 L121 T154 L157 V176 | E113-M117 HydrophobicContact CG-CE 4.17Å; E113-M117 WeakPolarHBondContact O-CG 3.37Å; E113-M117 PolarHBondContact O-N 3.49Å; I114-M117 HydrophobicContact CG1-CE 4.39Å; I114-M117 PolarHBondContact O-N 2.94Å; M117-H120 PolarHBondContact O-N 3.48Å; M117-L121 WeakPolarHBondContact O-CG 3.4Å; M117-L121 PolarHBondContact O-N 2.86Å; M117-L121 VanDerWaalsContact O-N 3.16Å; M117-T154 HydrophobicContact SD-CG2 4.31Å; M117-L157 HydrophobicContact CB-CD2 3.44Å; M117-L157 VanDerWaalsContact CB-CD2 3.44Å; M117-L157 HydrophobicContact CE-CB 4.5Å; M117-L157 HydrophobicContact CE-CD2 4.07Å; M117-L157 HydrophobicContact CG-CD2 4.48Å; M117-L157 HydrophobicContact SD-CD2 4.35Å; M117-V176 HydrophobicContact CB-CG2 4.04Å; M117-V176 HydrophobicContact CG-CG2 4.09Å |
| 118 | G | 97.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I114 S115 Q116 L121 N122 L123 | I114-G118 PolarHBondContact O-N 2.96Å; S115-G118 PolarHBondContact O-N 3.39Å; Q116-G118 VanDerWaalsContact C-N 3.25Å; Q116-G118 PolarHBondContact O-N 2.86Å; G118-L121 CarbonylContact O-C 3.5Å; G118-L121 PolarHBondContact O-N 2.74Å; G118-N122 PolarHBondContact O-N 3.5Å; G118-N122 VanDerWaalsContact O-N 3.08Å; G118-L123 PolarHBondContact O-N 3.18Å |
| 119 | E | 97.1 | Very high | 96.9 | Very high | 133 Ų | 133 | 56.9 Ų | 56.9 | 62% | 0.621 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61 | -46.5 | 175.7 | -73 | 168.6 | -165.8 | 0 | 0 | 111.8 | S115 Q116 L121 N122 | S115-E119 WeakPolarHBondContact O-CG 3.3Å; S115-E119 PolarHBondContact O-N 2.9Å; Q116-E119 PolarHBondContact O-N 2.93Å; E119-L121 PolarHBondContact O-N 3.37Å; E119-N122 PolarHBondContact O-N 3.14Å |
| 120 | H | 96.7 | Very high | 97 | Very high | 132 Ų | 132 | 56.2 Ų | 56.2 | 61% | 0.611 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.3 | -27.4 | 178.4 | -71.7 | 82.3 | 0 | 0 | 0 | 113 | Q116 M117 V176 | Q116-H120 PolarHBondContact O-N 3.42Å; Q116-H120 PolarHBondContact O-ND1 3.43Å; M117-H120 PolarHBondContact O-N 3.48Å; H120-V176 HydrophobicContact CB-CB 4.1Å; H120-V176 HydrophobicContact CB-CG1 3.59Å |
| 121 | L | 95.6 | Very high | 97.1 | Very high | 27 Ų | 27 | 56.1 Ų | 56.1 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 3.5 | 175.6 | -68.5 | 176.9 | 0 | 0 | 0 | 113.5 | M117 G118 E119 L123 L157 E172 V173 V176 | M117-L121 WeakPolarHBondContact O-CG 3.4Å; M117-L121 PolarHBondContact O-N 2.86Å; M117-L121 VanDerWaalsContact O-N 3.16Å; G118-L121 CarbonylContact O-C 3.5Å; G118-L121 PolarHBondContact O-N 2.74Å; E119-L121 PolarHBondContact O-N 3.37Å; L121-L123 VanDerWaalsContact C-N 3.26Å; L121-L123 HydrophobicContact CB-CD1 4.08Å; L121-L123 HydrophobicContact CB-CD2 4.37Å; L121-L123 HydrophobicContact CB-CG 3.77Å; L121-L123 HydrophobicContact CD1-CD1 4.17Å; L121-L123 PolarHBondContact O-N 3.39Å; L121-L157 HydrophobicContact CD1-CD2 4.45Å; L121-E172 HydrophobicContact CD2-CB 4.35Å; L121-V173 HydrophobicContact CD1-CG2 4.45Å; L121-V176 HydrophobicContact CD1-CG2 3.8Å; L121-V176 HydrophobicContact CD2-CG1 3.75Å; L121-V176 HydrophobicContact CD2-CG2 4.21Å; L121-V176 HydrophobicContact CG-CB 4.45Å; L121-V176 HydrophobicContact CG-CG1 3.88Å; L121-V176 HydrophobicContact CG-CG2 3.84Å |
| 122 | N | 95.4 | Very high | 97.1 | Very high | 143 Ų | 143 | 55.9 Ų | 55.9 | 77% | 0.765 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 44.8 | -173.4 | -61.9 | -66.1 | 0 | 0 | 0 | 112.7 | G118 E119 | G118-N122 PolarHBondContact O-N 3.5Å; G118-N122 VanDerWaalsContact O-N 3.08Å; E119-N122 PolarHBondContact O-N 3.14Å |
| 123 | L | 96.8 | Very high | 97.1 | Very high | 17 Ų | 17 | 52 Ų | 52 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | trans | -83 | 140.6 | 178.3 | -62.6 | 177.8 | 0 | 0 | 0 | 111 | G118 L121 I127 L157 C161 R168 | G118-L123 PolarHBondContact O-N 3.18Å; L121-L123 VanDerWaalsContact C-N 3.26Å; L121-L123 HydrophobicContact CB-CD1 4.08Å; L121-L123 HydrophobicContact CB-CD2 4.37Å; L121-L123 HydrophobicContact CB-CG 3.77Å; L121-L123 HydrophobicContact CD1-CD1 4.17Å; L121-L123 PolarHBondContact O-N 3.39Å; L123-I127 HydrophobicContact CB-CB 4.47Å; L123-I127 HydrophobicContact CB-CD1 4.47Å; L123-I127 HydrophobicContact CD1-CG2 4.29Å; L123-I127 HydrophobicContact CD2-CD1 4.2Å; L123-L157 HydrophobicContact CD1-CD1 3.79Å; L123-L157 HydrophobicContact CD1-CD2 4.46Å; L123-L157 HydrophobicContact CD1-CG 4.32Å; L123-C161 VanDerWaalsContact CD1-SG 3.6Å; L123-R168 VanDerWaalsContact CD2-CZ 3.41Å | ||
| 124 | P | 96.9 | Very high | 97.1 | Very high | 74 Ų | 74 | 51 Ų | 51 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | trans | -54 | 146.1 | 168.1 | -25.9 | 33.9 | 0 | 0 | 0 | 112.1 | S126 I127 | P124-S126 PolarHBondContact O-N 3.18Å; P124-I127 HydrophobicContact CB-CG1 4.41Å; P124-I127 HydrophobicContact CG-CD1 4.37Å; P124-I127 PolarHBondContact O-N 2.93Å | ||
| 125 | K | 96.2 | Very high | 97.1 | Very high | 119 Ų | 119 | 51.1 Ų | 51.1 | 52% | 0.517 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.7 | -35.4 | -179.1 | -176.9 | 51.8 | 173.4 | 148.4 | 0 | 112.6 | I127 S128 D129 | K125-I127 VanDerWaalsContact C-N 3.26Å; K125-I127 PolarHBondContact O-N 3.49Å; K125-S128 WeakPolarHBondContact O-CB 3.45Å; K125-S128 PolarHBondContact O-N 3.5Å; K125-D129 WeakPolarHBondContact CE-OD1 3.26Å; K125-D129 IonicContact NZ-OD1 3.33Å; K125-D129 PolarHBondContact NZ-OD1 3.44Å; K125-D129 PolarHBondContact O-N 3.48Å |
| 126 | S | 97.5 | Very high | 97 | Very high | 71 Ų | 71 | 51 Ų | 51 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -53 | -39.3 | 174.6 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | P124 D129 H130 | P124-S126 PolarHBondContact O-N 3.18Å; S126-D129 PolarHBondContact O-N 3.32Å; S126-H130 WeakPolarHBondContact O-CB 3.49Å; S126-H130 PolarHBondContact O-N 3.37Å |
| 127 | I | 97.9 | Very high | 96.8 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.8 | -39.5 | 178.9 | -51.8 | -170.6 | 0 | 0 | 0 | 110.8 | L123 P124 K125 D129 H130 A131 L157 A160 E164 V166 | L123-I127 HydrophobicContact CB-CB 4.47Å; L123-I127 HydrophobicContact CB-CD1 4.47Å; L123-I127 HydrophobicContact CD1-CG2 4.29Å; L123-I127 HydrophobicContact CD2-CD1 4.2Å; P124-I127 HydrophobicContact CB-CG1 4.41Å; P124-I127 HydrophobicContact CG-CD1 4.37Å; P124-I127 PolarHBondContact O-N 2.93Å; K125-I127 VanDerWaalsContact C-N 3.26Å; K125-I127 PolarHBondContact O-N 3.49Å; I127-D129 VanDerWaalsContact C-N 3.34Å; I127-H130 PolarHBondContact O-N 3.12Å; I127-A131 WeakPolarHBondContact O-CB 3.47Å; I127-A131 PolarHBondContact O-N 3.46Å; I127-L157 HydrophobicContact CG2-CD1 4.49Å; I127-A160 HydrophobicContact CG2-CB 4.06Å; I127-E164 HydrophobicContact CD1-CB 4.42Å; I127-E164 HydrophobicContact CG1-CB 4.43Å; I127-E164 HydrophobicContact CG1-CG 4.14Å; I127-V166 HydrophobicContact CD1-CG2 3.53Å |
| 128 | S | 97.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 176.7 | -59 | 0 | 0 | 0 | 0 | 111.1 | K125 A131 N132 | K125-S128 WeakPolarHBondContact O-CB 3.45Å; K125-S128 PolarHBondContact O-N 3.5Å; S128-A131 WeakPolarHBondContact O-CB 3.06Å; S128-A131 PolarHBondContact O-N 3.13Å; S128-N132 PolarHBondContact O-N 2.81Å; S128-N132 PolarHBondContact O-ND2 2.82Å |
| 129 | D | 97.2 | Very high | 96.5 | Very high | 69 Ų | 69 | 52 Ų | 52 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.8 | -39.6 | 177.4 | -64.3 | -22 | 0 | 0 | 0 | 111.8 | K125 S126 I127 A131 N132 L133 | K125-D129 WeakPolarHBondContact CE-OD1 3.26Å; K125-D129 IonicContact NZ-OD1 3.33Å; K125-D129 PolarHBondContact NZ-OD1 3.44Å; K125-D129 PolarHBondContact O-N 3.48Å; S126-D129 PolarHBondContact O-N 3.32Å; I127-D129 VanDerWaalsContact C-N 3.34Å; D129-A131 VanDerWaalsContact C-N 3.35Å; D129-N132 WeakPolarHBondContact O-CB 3.3Å; D129-N132 PolarHBondContact O-N 3.42Å; D129-L133 PolarHBondContact O-N 3.46Å |
| 130 | H | 97.6 | Very high | 96.2 | Very high | 43 Ų | 43 | 50.5 Ų | 50.5 | 20% | 0.199 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 170.5 | -171.6 | 178.1 | 0 | 0 | 0 | 111.2 | S126 I127 N132 L133 L134 A160 Q163 E164 | S126-H130 WeakPolarHBondContact O-CB 3.49Å; S126-H130 PolarHBondContact O-N 3.37Å; I127-H130 PolarHBondContact O-N 3.12Å; H130-N132 VanDerWaalsContact C-N 3.3Å; H130-N132 PolarHBondContact O-N 3.07Å; H130-L133 WeakPolarHBondContact O-CB 3.4Å; H130-L133 PolarHBondContact O-N 3.13Å; H130-L134 WeakPolarHBondContact O-CG 3.25Å; H130-L134 PolarHBondContact O-N 2.95Å; H130-A160 HydrophobicContact CB-CB 4.34Å; H130-Q163 PolarHBondContact CE1-OE1 2.88Å; H130-Q163 PolarHBondContact NE2-OE1 3.21Å; H130-E164 IonicContact CE1-OE1 3.69Å; H130-E164 IonicContact CG-OE1 3.09Å; H130-E164 IonicContact ND1-OE1 3.17Å; H130-E164 PolarHBondContact ND1-OE1 3.37Å |
| 131 | A | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.5 | -37.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I114 I127 S128 D129 L134 F135 L157 A160 | I114-A131 HydrophobicContact CD1-CB 4.37Å; I114-A131 HydrophobicContact CG2-CB 3.64Å; I127-A131 WeakPolarHBondContact O-CB 3.47Å; I127-A131 PolarHBondContact O-N 3.46Å; S128-A131 WeakPolarHBondContact O-CB 3.06Å; S128-A131 PolarHBondContact O-N 3.13Å; D129-A131 VanDerWaalsContact C-N 3.35Å; A131-L134 PolarHBondContact O-N 2.79Å; A131-F135 WeakPolarHBondContact O-CB 3.48Å; A131-F135 PolarHBondContact O-N 3.19Å; A131-L157 HydrophobicContact CB-CB 4.35Å; A131-L157 HydrophobicContact CB-CD1 4.06Å; A131-A160 HydrophobicContact CB-CB 3.88Å |
| 132 | N | 97.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 53.4 Ų | 53.4 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 174.2 | -66.4 | -30.1 | 0 | 0 | 0 | 111.7 | L65 F111 I114 S128 D129 H130 F135 K136 | L65-N132 HydrophobicContact CD1-CB 3.58Å; F111-N132 WeakPolarHBondContact CA-OD1 3.32Å; F111-N132 HydrophobicContact CD1-CB 3.58Å; F111-N132 VanDerWaalsContact CD1-CG 3.45Å; F111-N132 WeakPolarHBondContact CD1-OD1 3.01Å; F111-N132 HydrophobicContact CE1-CB 3.65Å; F111-N132 WeakPolarHBondContact CE1-O 3.5Å; F111-N132 HydrophobicContact CG-CB 4.21Å; F111-N132 HydrophobicContact CZ-CB 4.32Å; I114-N132 WeakPolarHBondContact CD1-OD1 3.28Å; S128-N132 PolarHBondContact O-N 2.81Å; S128-N132 PolarHBondContact O-ND2 2.82Å; D129-N132 WeakPolarHBondContact O-CB 3.3Å; D129-N132 PolarHBondContact O-N 3.42Å; H130-N132 VanDerWaalsContact C-N 3.3Å; H130-N132 PolarHBondContact O-N 3.07Å; N132-F135 PolarHBondContact O-N 3.27Å; N132-K136 PolarHBondContact O-N 3.01Å |
| 133 | L | 96.7 | Very high | 95.5 | Very high | 73 Ų | 73 | 51.8 Ų | 51.8 | 38% | 0.382 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61 | -48.2 | 174.4 | -179.9 | 65.7 | 0 | 0 | 0 | 111.5 | L65 D129 H130 F135 K136 Q137 | L65-L133 HydrophobicContact CD2-CB 4.37Å; L65-L133 HydrophobicContact CD2-CD1 3.82Å; D129-L133 PolarHBondContact O-N 3.46Å; H130-L133 WeakPolarHBondContact O-CB 3.4Å; H130-L133 PolarHBondContact O-N 3.13Å; L133-F135 VanDerWaalsContact C-N 3.29Å; L133-F135 PolarHBondContact O-N 3.27Å; L133-K136 PolarHBondContact O-N 2.93Å; L133-Q137 WeakPolarHBondContact O-CG 3.47Å; L133-Q137 PolarHBondContact O-N 3.33Å |
| 134 | L | 96.7 | Very high | 95 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 176 | -67.8 | 172.4 | 0 | 0 | 0 | 111.3 | H130 A131 Q137 V138 C156 M159 A160 L195 | H130-L134 WeakPolarHBondContact O-CG 3.25Å; H130-L134 PolarHBondContact O-N 2.95Å; A131-L134 PolarHBondContact O-N 2.79Å; L134-Q137 PolarHBondContact O-N 3.28Å; L134-V138 WeakPolarHBondContact O-CB 3.43Å; L134-V138 WeakPolarHBondContact O-CG2 3.46Å; L134-V138 PolarHBondContact O-N 3.26Å; L134-C156 HydrophobicContact CB-CB 4.19Å; L134-M159 HydrophobicContact CD1-CB 4.11Å; L134-M159 HydrophobicContact CD1-CG 3.99Å; L134-M159 HydrophobicContact CD2-CE 4.33Å; L134-A160 HydrophobicContact CD1-CB 4.02Å; L134-L195 HydrophobicContact CD2-CD1 3.76Å |
| 135 | F | 96.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.009 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 177.6 | -173 | -85 | 0 | 0 | 0 | 111.5 | L107 A110 F111 I114 A131 N132 L133 V138 H139 N149 V152 S153 C156 | L107-F135 HydrophobicContact CD2-CD1 3.91Å; L107-F135 HydrophobicContact CD2-CE1 3.95Å; A110-F135 HydrophobicContact CB-CD1 3.71Å; A110-F135 HydrophobicContact CB-CD2 4.02Å; A110-F135 HydrophobicContact CB-CE1 3.29Å; A110-F135 HydrophobicContact CB-CE2 3.61Å; A110-F135 HydrophobicContact CB-CG 4.07Å; A110-F135 HydrophobicContact CB-CZ 3.24Å; F111-F135 HydrophobicContact CE1-CB 4.41Å; F111-F135 HydrophobicContact CE1-CD1 4.17Å; I114-F135 HydrophobicContact CD1-CB 4.02Å; I114-F135 HydrophobicContact CD1-CD2 4.45Å; I114-F135 HydrophobicContact CD1-CG 4.39Å; A131-F135 WeakPolarHBondContact O-CB 3.48Å; A131-F135 PolarHBondContact O-N 3.19Å; N132-F135 PolarHBondContact O-N 3.27Å; L133-F135 VanDerWaalsContact C-N 3.29Å; L133-F135 PolarHBondContact O-N 3.27Å; F135-V138 PolarHBondContact O-N 2.99Å; F135-H139 HydrophobicContact CD1-CB 4.44Å; F135-H139 HydrophobicContact CE1-CB 4.24Å; F135-H139 WeakPolarHBondContact O-CB 3.3Å; F135-H139 PolarHBondContact O-N 3.33Å; F135-N149 HydrophobicContact CZ-CB 4.49Å; F135-V152 HydrophobicContact CD2-CB 4.29Å; F135-V152 HydrophobicContact CD2-CG1 3.76Å; F135-V152 HydrophobicContact CE2-CB 3.82Å; F135-V152 HydrophobicContact CE2-CG1 3.68Å; F135-S153 WeakPolarHBondContact CE2-OG 3.27Å; F135-C156 HydrophobicContact CB-CB 4.43Å |
| 136 | K | 95.2 | Very high | 93.9 | Very high | 26 Ų | 26 | 57.6 Ų | 57.6 | 11% | 0.113 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.5 | -54.1 | 176 | 178.9 | 178.6 | -174.8 | 151.4 | 0 | 111.1 | F64 L65 L66 N132 L133 V138 H139 E140 | F64-K136 PolarHBondContact O-NZ 3.2Å; L65-K136 HydrophobicContact CB-CD 4.13Å; L65-K136 HydrophobicContact CD2-CB 4.48Å; L65-K136 HydrophobicContact CD2-CD 3.83Å; L65-K136 WeakPolarHBondContact O-CD 3.47Å; L65-K136 VanDerWaalsContact O-CE 3.31Å; L65-K136 WeakPolarHBondContact O-CE 3.29Å; L65-K136 PolarHBondContact O-NZ 3.02Å; L66-K136 PolarHBondContact O-NZ 2.64Å; N132-K136 PolarHBondContact O-N 3.01Å; L133-K136 PolarHBondContact O-N 2.93Å; K136-V138 VanDerWaalsContact C-N 3.32Å; K136-V138 PolarHBondContact O-N 3.23Å; K136-H139 WeakPolarHBondContact O-CB 3.4Å; K136-H139 PolarHBondContact O-N 3.05Å; K136-H139 VanDerWaalsContact O-N 3.1Å; K136-E140 WeakPolarHBondContact CE-OE1 3.49Å; K136-E140 HydrophobicContact CG-CG 4.37Å; K136-E140 WeakPolarHBondContact CG-OE1 3.31Å; K136-E140 IonicContact NZ-OE1 2.64Å; K136-E140 WeakPolarHBondContact O-CG 3.41Å; K136-E140 PolarHBondContact O-N 3.4Å |
| 137 | Q | 94.7 | Very high | 93.7 | Very high | 79 Ų | 79 | 57.7 Ų | 57.7 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.4 | -46.1 | -179.8 | -70.2 | 174 | -18 | 0 | 0 | 111.8 | L133 L134 H139 E140 T141 L195 | L133-Q137 WeakPolarHBondContact O-CG 3.47Å; L133-Q137 PolarHBondContact O-N 3.33Å; L134-Q137 PolarHBondContact O-N 3.28Å; Q137-H139 PolarHBondContact O-N 3.11Å; Q137-E140 PolarHBondContact O-N 2.83Å; Q137-T141 VanDerWaalsContact O-CG2 3.27Å; Q137-T141 WeakPolarHBondContact O-CG2 3.32Å; Q137-T141 PolarHBondContact O-N 2.93Å; Q137-L195 HydrophobicContact CB-CD2 3.9Å |
| 138 | V | 94.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 178.5 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | L134 F135 K136 T141 L144 V152 I191 L195 | L134-V138 WeakPolarHBondContact O-CB 3.43Å; L134-V138 WeakPolarHBondContact O-CG2 3.46Å; L134-V138 PolarHBondContact O-N 3.26Å; F135-V138 PolarHBondContact O-N 2.99Å; K136-V138 VanDerWaalsContact C-N 3.32Å; K136-V138 PolarHBondContact O-N 3.23Å; V138-T141 PolarHBondContact O-OG1 2.94Å; V138-L144 HydrophobicContact CG1-CB 4.46Å; V138-L144 HydrophobicContact CG1-CD1 3.24Å; V138-L144 HydrophobicContact CG1-CG 3.87Å; V138-V152 HydrophobicContact CG1-CG1 3.94Å; V138-I191 HydrophobicContact CG1-CG1 4.27Å; V138-I191 HydrophobicContact CG2-CB 4.49Å; V138-I191 HydrophobicContact CG2-CG1 4.14Å; V138-I191 HydrophobicContact CG2-CG2 3.79Å; V138-L195 HydrophobicContact CG2-CD1 3.86Å; V138-L195 HydrophobicContact CG2-CD2 3.95Å; V138-L195 HydrophobicContact CG2-CG 3.95Å |
| 139 | H | 93.2 | Very high | 93.3 | Very high | 59 Ų | 59 | 63.3 Ų | 63.3 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 179.2 | -178.7 | -97.5 | 0 | 0 | 0 | 111.9 | L107 F135 K136 Q137 T141 K142 | L107-H139 HydrophobicContact CD2-CB 4.22Å; F135-H139 HydrophobicContact CD1-CB 4.44Å; F135-H139 HydrophobicContact CE1-CB 4.24Å; F135-H139 WeakPolarHBondContact O-CB 3.3Å; F135-H139 PolarHBondContact O-N 3.33Å; K136-H139 WeakPolarHBondContact O-CB 3.4Å; K136-H139 PolarHBondContact O-N 3.05Å; K136-H139 VanDerWaalsContact O-N 3.1Å; Q137-H139 PolarHBondContact O-N 3.11Å; H139-T141 VanDerWaalsContact C-N 3.33Å; H139-T141 PolarHBondContact O-N 3.31Å; H139-K142 PolarHBondContact O-N 3.25Å; H139-K142 VanDerWaalsContact O-N 3.13Å |
| 140 | E | 92.1 | Very high | 93.2 | Very high | 101 Ų | 101 | 61.8 Ų | 61.8 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.1 | -36.1 | 178.8 | -74.8 | 173.5 | 170.8 | 0 | 0 | 113.1 | K136 Q137 K142 | K136-E140 WeakPolarHBondContact CE-OE1 3.49Å; K136-E140 HydrophobicContact CG-CG 4.37Å; K136-E140 WeakPolarHBondContact CG-OE1 3.31Å; K136-E140 IonicContact NZ-OE1 2.64Å; K136-E140 WeakPolarHBondContact O-CG 3.41Å; K136-E140 PolarHBondContact O-N 3.4Å; Q137-E140 PolarHBondContact O-N 2.83Å; E140-K142 PolarHBondContact O-N 2.86Å |
| 141 | T | 92.4 | Very high | 93.2 | Very high | 54 Ų | 54 | 59.8 Ų | 59.8 | 33% | 0.331 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -17.9 | 177.6 | 68.1 | 0 | 0 | 0 | 0 | 113.4 | Q137 V138 H139 N143 I194 | Q137-T141 VanDerWaalsContact O-CG2 3.27Å; Q137-T141 WeakPolarHBondContact O-CG2 3.32Å; Q137-T141 PolarHBondContact O-N 2.93Å; V138-T141 PolarHBondContact O-OG1 2.94Å; H139-T141 VanDerWaalsContact C-N 3.33Å; H139-T141 PolarHBondContact O-N 3.31Å; T141-N143 PolarHBondContact O-N 3.41Å; T141-N143 PolarHBondContact O-OD1 2.91Å; T141-I194 HydrophobicContact CG2-CG2 3.79Å; T141-I194 WeakPolarHBondContact OG1-CG2 3.49Å |
| 142 | K | 89.9 | Confident | 93.1 | Very high | 166 Ų | 166 | 60.1 Ų | 60.1 | 72% | 0.722 | 31% | 0.307 | S | S | * | . | trans | 58.2 | 7.9 | -176.7 | -59.6 | 172.3 | -173.1 | 174 | 0 | 115.1 | H139 E140 L144 R145 | H139-K142 PolarHBondContact O-N 3.25Å; H139-K142 VanDerWaalsContact O-N 3.13Å; E140-K142 PolarHBondContact O-N 2.86Å; K142-L144 VanDerWaalsContact C-N 3.31Å; K142-L144 PolarHBondContact O-N 3.25Å; K142-R145 WeakPolarHBondContact O-CB 3.23Å; K142-R145 PolarHBondContact O-N 3Å | ||
| 143 | N | 89.8 | Confident | 93.1 | Very high | 109 Ų | 109 | 59.7 Ų | 59.7 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -16.3 | -175.7 | -76.5 | -11.6 | 0 | 0 | 0 | 114.4 | T141 I194 | T141-N143 PolarHBondContact O-N 3.41Å; T141-N143 PolarHBondContact O-OD1 2.91Å; N143-I194 HydrophobicContact CB-CD1 3.56Å; N143-I194 HydrophobicContact CB-CG1 3.81Å; N143-I194 HydrophobicContact CB-CG2 4.39Å |
| 144 | L | 86.7 | Confident | 93.2 | Very high | 17 Ų | 17 | 56.2 Ų | 56.2 | 9% | 0.089 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 15.4 | 176.3 | -63.1 | -172.7 | 0 | 0 | 0 | 113.7 | V138 K142 G146 R147 V152 V187 K190 I191 I194 | V138-L144 HydrophobicContact CG1-CB 4.46Å; V138-L144 HydrophobicContact CG1-CD1 3.24Å; V138-L144 HydrophobicContact CG1-CG 3.87Å; K142-L144 VanDerWaalsContact C-N 3.31Å; K142-L144 PolarHBondContact O-N 3.25Å; L144-G146 PolarHBondContact O-N 2.63Å; L144-R147 WeakPolarHBondContact O-CB 3.38Å; L144-R147 PolarHBondContact O-N 3.16Å; L144-V152 HydrophobicContact CB-CG2 4.31Å; L144-V152 HydrophobicContact CD1-CG1 4Å; L144-V152 HydrophobicContact CD1-CG2 3.8Å; L144-V187 HydrophobicContact CD1-CG1 4.17Å; L144-K190 HydrophobicContact CD2-CB 3.78Å; L144-K190 HydrophobicContact CD2-CD 3.82Å; L144-K190 HydrophobicContact CD2-CG 4.48Å; L144-I191 HydrophobicContact CD1-CD1 4.41Å; L144-I191 HydrophobicContact CD1-CG1 3.78Å; L144-I194 HydrophobicContact CD1-CD1 4.26Å; L144-I194 HydrophobicContact CD2-CD1 3.49Å; L144-I194 VanDerWaalsContact CD2-CD1 3.49Å; L144-I194 HydrophobicContact CG-CD1 3.57Å |
| 145 | R | 83.1 | Confident | 93.2 | Very high | 235 Ų | 235 | 56 Ų | 56 | 89% | 0.887 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 127.4 | 177.2 | -167.9 | 174.8 | -178.7 | -179.8 | 0.1 | 110.5 | K142 | K142-R145 WeakPolarHBondContact O-CB 3.23Å; K142-R145 PolarHBondContact O-N 3Å |
| 146 | G | 87 | Confident | 93.3 | Very high | 80 Ų | 80 | 56 Ų | 56 | 83% | 0.825 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | -3.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L144 | L144-G146 PolarHBondContact O-N 2.63Š|
| 147 | R | 91.9 | Very high | 93.4 | Very high | 73 Ų | 73 | 54.7 Ų | 54.7 | 28% | 0.275 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -86.4 | 152.6 | 164.8 | -65.4 | -70.6 | 168.3 | 143.3 | -5.1 | 110.2 | L144 N149 V152 E183 | L144-R147 WeakPolarHBondContact O-CB 3.38Å; L144-R147 PolarHBondContact O-N 3.16Å; R147-N149 PolarHBondContact O-N 3.21Å; R147-V152 HydrophobicContact CB-CG2 4.25Å; R147-E183 WeakPolarHBondContact CD-OE1 3.44Å; R147-E183 IonicContact CZ-OE1 2.76Å; R147-E183 IonicContact NE-OE1 3.36Å; R147-E183 IonicContact NH1-OE1 2.8Å; R147-E183 PolarHBondContact NH1-OE1 2.71Å; R147-E183 IonicContact NH1-OE2 3.18Å; R147-E183 PolarHBondContact NH1-OE2 3.35Å |
| 148 | S | 93.8 | Very high | 93.5 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 43% | 0.434 | 27% | 0.265 | S | S | . | . | trans | -63.3 | 133.1 | 174.7 | 179.5 | 0 | 0 | 0 | 0 | 110 | D150 A151 V152 | S148-D150 PolarHBondContact O-N 3.38Å; S148-D150 PolarHBondContact OG-N 3.28Å; S148-A151 WeakPolarHBondContact O-CA 3.38Å; S148-A151 WeakPolarHBondContact O-CB 3.48Å; S148-A151 PolarHBondContact O-N 2.77Å; S148-V152 PolarHBondContact O-N 3.06Å; S148-V152 VanDerWaalsContact O-N 3.09Å | ||
| 149 | N | 94.1 | Very high | 93.6 | Very high | 67 Ų | 67 | 51.5 Ų | 51.5 | 36% | 0.358 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.4 | -39 | 175.7 | -71.2 | -28 | 0 | 0 | 0 | 110.8 | V106 F135 R147 A151 V152 S153 | V106-N149 WeakPolarHBondContact CG1-ND2 3.42Å; F135-N149 HydrophobicContact CZ-CB 4.49Å; R147-N149 PolarHBondContact O-N 3.21Å; N149-A151 PolarHBondContact O-N 3.03Å; N149-V152 CarbonylContact O-C 3.53Å; N149-V152 PolarHBondContact O-N 3.02Å; N149-S153 WeakPolarHBondContact O-CB 3.45Å; N149-S153 PolarHBondContact O-N 3.15Å; N149-S153 PolarHBondContact O-OG 3.15Å; N149-S153 VanDerWaalsContact O-OG 3.06Å |
| 150 | D | 95.6 | Very high | 93.8 | Very high | 37 Ų | 37 | 48.7 Ų | 48.7 | 20% | 0.198 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.1 | -42.1 | 172.7 | -59.3 | 26.5 | 0 | 0 | 0 | 111.7 | E113 S148 T154 R178 V179 | E113-D150 WeakPolarHBondContact OE1-CA 3.16Å; E113-D150 WeakPolarHBondContact OE1-CB 3.16Å; E113-D150 WeakPolarHBondContact OE2-CA 3.45Å; S148-D150 PolarHBondContact O-N 3.38Å; S148-D150 PolarHBondContact OG-N 3.28Å; D150-T154 WeakPolarHBondContact O-CB 3.41Å; D150-T154 PolarHBondContact O-N 2.68Å; D150-T154 PolarHBondContact O-OG1 3.3Å; D150-R178 IonicContact OD1-NH2 3.26Å; D150-R178 IonicContact OD2-CZ 3.86Å; D150-R178 VanDerWaalsContact OD2-CZ 3.3Å; D150-R178 IonicContact OD2-NE 3.4Å; D150-R178 PolarHBondContact OD2-NE 2.72Å; D150-R178 IonicContact OD2-NH2 2.68Å; D150-R178 PolarHBondContact OD2-NH2 3.38Å; D150-V179 HydrophobicContact CB-CG2 3.84Å |
| 151 | A | 96.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70 | -35.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S148 N149 A155 V179 E183 V187 | S148-A151 WeakPolarHBondContact O-CA 3.38Å; S148-A151 WeakPolarHBondContact O-CB 3.48Å; S148-A151 PolarHBondContact O-N 2.77Å; N149-A151 PolarHBondContact O-N 3.03Å; A151-A155 VanDerWaalsContact O-CB 3.29Å; A151-A155 WeakPolarHBondContact O-CB 3.22Å; A151-A155 PolarHBondContact O-N 3.39Å; A151-A155 VanDerWaalsContact O-N 3.11Å; A151-V179 HydrophobicContact CB-CG1 3.69Å; A151-V179 HydrophobicContact CB-CG2 4.06Å; A151-E183 HydrophobicContact CB-CG 4.09Å; A151-V187 HydrophobicContact CB-CG2 4.1Å |
| 152 | V | 97.1 | Very high | 94.2 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.2 | -49.9 | 174.7 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | F135 V138 L144 R147 S148 N149 T154 A155 C156 V187 I191 | F135-V152 HydrophobicContact CD2-CB 4.29Å; F135-V152 HydrophobicContact CD2-CG1 3.76Å; F135-V152 HydrophobicContact CE2-CB 3.82Å; F135-V152 HydrophobicContact CE2-CG1 3.68Å; V138-V152 HydrophobicContact CG1-CG1 3.94Å; L144-V152 HydrophobicContact CB-CG2 4.31Å; L144-V152 HydrophobicContact CD1-CG1 4Å; L144-V152 HydrophobicContact CD1-CG2 3.8Å; R147-V152 HydrophobicContact CB-CG2 4.25Å; S148-V152 PolarHBondContact O-N 3.06Å; S148-V152 VanDerWaalsContact O-N 3.09Å; N149-V152 CarbonylContact O-C 3.53Å; N149-V152 PolarHBondContact O-N 3.02Å; V152-T154 VanDerWaalsContact C-N 3.32Å; V152-T154 PolarHBondContact O-N 2.67Å; V152-A155 PolarHBondContact O-N 3.02Å; V152-A155 VanDerWaalsContact O-N 3.14Å; V152-C156 WeakPolarHBondContact O-CB 3.39Å; V152-C156 PolarHBondContact O-N 2.92Å; V152-C156 PolarHBondContact O-SG 3.26Å; V152-V187 HydrophobicContact CG2-CG1 4.11Å; V152-I191 HydrophobicContact CG1-CD1 4.44Å |
| 153 | S | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -52.2 | -48.9 | 174.4 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | A110 F135 N149 A155 C156 L157 | A110-S153 WeakPolarHBondContact CB-OG 3.38Å; F135-S153 WeakPolarHBondContact CE2-OG 3.27Å; N149-S153 WeakPolarHBondContact O-CB 3.45Å; N149-S153 PolarHBondContact O-N 3.15Å; N149-S153 PolarHBondContact O-OG 3.15Å; N149-S153 VanDerWaalsContact O-OG 3.06Å; S153-A155 PolarHBondContact O-N 3.1Å; S153-C156 PolarHBondContact O-N 2.84Å; S153-L157 PolarHBondContact O-N 3.34Å |
| 154 | T | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.8 | -40.9 | 179.9 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | M117 D150 V152 Y158 V173 S177 I184 | M117-T154 HydrophobicContact SD-CG2 4.31Å; D150-T154 WeakPolarHBondContact O-CB 3.41Å; D150-T154 PolarHBondContact O-N 2.68Å; D150-T154 PolarHBondContact O-OG1 3.3Å; V152-T154 VanDerWaalsContact C-N 3.32Å; V152-T154 PolarHBondContact O-N 2.67Å; T154-Y158 WeakPolarHBondContact O-CB 3.33Å; T154-Y158 PolarHBondContact O-N 3.26Å; T154-V173 HydrophobicContact CG2-CG1 3.28Å; T154-S177 WeakPolarHBondContact CG2-OG 3.25Å; T154-S177 WeakPolarHBondContact OG1-CB 3.25Å; T154-S177 PolarHBondContact OG1-OG 3.41Å; T154-I184 HydrophobicContact CG2-CD1 3.58Å; T154-I184 HydrophobicContact CG2-CG1 3.8Å; T154-I184 HydrophobicContact CG2-CG2 4.37Å |
| 155 | A | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.3 | -35.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A151 V152 S153 Y158 M159 I184 V187 F188 I191 | A151-A155 VanDerWaalsContact O-CB 3.29Å; A151-A155 WeakPolarHBondContact O-CB 3.22Å; A151-A155 PolarHBondContact O-N 3.39Å; A151-A155 VanDerWaalsContact O-N 3.11Å; V152-A155 PolarHBondContact O-N 3.02Å; V152-A155 VanDerWaalsContact O-N 3.14Å; S153-A155 PolarHBondContact O-N 3.1Å; A155-Y158 PolarHBondContact O-N 3.22Å; A155-M159 WeakPolarHBondContact O-CB 3.48Å; A155-M159 PolarHBondContact O-N 2.98Å; A155-I184 HydrophobicContact CB-CG2 4.49Å; A155-V187 HydrophobicContact CB-CB 4.07Å; A155-V187 HydrophobicContact CB-CG1 3.71Å; A155-F188 HydrophobicContact CB-CB 4.37Å; A155-I191 HydrophobicContact CB-CD1 3.64Å |
| 156 | C | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.9 | -45.2 | 172.2 | -71 | 0 | 0 | 0 | 0 | 111.1 | L134 F135 V152 S153 Y158 M159 A160 | L134-C156 HydrophobicContact CB-CB 4.19Å; F135-C156 HydrophobicContact CB-CB 4.43Å; V152-C156 WeakPolarHBondContact O-CB 3.39Å; V152-C156 PolarHBondContact O-N 2.92Å; V152-C156 PolarHBondContact O-SG 3.26Å; S153-C156 PolarHBondContact O-N 2.84Å; C156-Y158 PolarHBondContact O-N 3.16Å; C156-M159 PolarHBondContact O-N 3.48Å; C156-A160 WeakPolarHBondContact O-CB 3.46Å; C156-A160 PolarHBondContact O-N 3.03Å |
| 157 | L | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.4 | -45.7 | 175 | -177.2 | 62.4 | 0 | 0 | 0 | 111.7 | I114 M117 L121 L123 I127 A131 S153 M159 A160 C161 | I114-L157 HydrophobicContact CG2-CD1 4.39Å; M117-L157 HydrophobicContact CB-CD2 3.44Å; M117-L157 VanDerWaalsContact CB-CD2 3.44Å; M117-L157 HydrophobicContact CE-CB 4.5Å; M117-L157 HydrophobicContact CE-CD2 4.07Å; M117-L157 HydrophobicContact CG-CD2 4.48Å; M117-L157 HydrophobicContact SD-CD2 4.35Å; L121-L157 HydrophobicContact CD1-CD2 4.45Å; L123-L157 HydrophobicContact CD1-CD1 3.79Å; L123-L157 HydrophobicContact CD1-CD2 4.46Å; L123-L157 HydrophobicContact CD1-CG 4.32Å; I127-L157 HydrophobicContact CG2-CD1 4.49Å; A131-L157 HydrophobicContact CB-CB 4.35Å; A131-L157 HydrophobicContact CB-CD1 4.06Å; S153-L157 PolarHBondContact O-N 3.34Å; L157-M159 VanDerWaalsContact C-N 3.31Å; L157-M159 PolarHBondContact O-N 2.94Å; L157-A160 PolarHBondContact O-N 3.26Å; L157-C161 PolarHBondContact O-N 2.99Å; L157-C161 PolarHBondContact O-SG 3.48Å |
| 158 | Y | 97.5 | Very high | 96.2 | Very high | 14 Ų | 14 | 25 Ų | 25 | 6% | 0.055 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.5 | -41.6 | 175.2 | 175.1 | -97.2 | 0 | 0 | 0 | 112.3 | T154 A155 C156 R162 R168 F170 V173 F188 | T154-Y158 WeakPolarHBondContact O-CB 3.33Å; T154-Y158 PolarHBondContact O-N 3.26Å; A155-Y158 PolarHBondContact O-N 3.22Å; C156-Y158 PolarHBondContact O-N 3.16Å; Y158-R162 HydrophobicContact CE1-CG 4.37Å; Y158-R162 PolarHBondContact O-N 3.46Å; Y158-R168 WeakPolarHBondContact CE2-O 3.19Å; Y158-F170 HydrophobicContact CD1-CE1 4.05Å; Y158-F170 HydrophobicContact CD1-CZ 4.4Å; Y158-F170 HydrophobicContact CD2-CD1 4.3Å; Y158-F170 HydrophobicContact CD2-CE1 4.27Å; Y158-F170 AromaticContact CE1-CE1 3.72Å; Y158-F170 HydrophobicContact CE1-CE1 3.72Å; Y158-F170 HydrophobicContact CE1-CE2 4.44Å; Y158-F170 AromaticContact CE1-CZ 3.63Å; Y158-F170 HydrophobicContact CE1-CZ 3.63Å; Y158-F170 HydrophobicContact CE2-CD1 4.02Å; Y158-F170 HydrophobicContact CE2-CD2 4.47Å; Y158-F170 AromaticContact CE2-CE1 3.93Å; Y158-F170 HydrophobicContact CE2-CE1 3.93Å; Y158-F170 HydrophobicContact CE2-CE2 4.4Å; Y158-F170 HydrophobicContact CE2-CG 4.29Å; Y158-F170 HydrophobicContact CE2-CZ 4.13Å; Y158-F170 HydrophobicContact CG-CE1 4.32Å; Y158-F170 AromaticContact CZ-CE1 3.67Å; Y158-F170 AromaticContact CZ-CE2 3.87Å; Y158-F170 AromaticContact CZ-CZ 3.48Å; Y158-F170 VanDerWaalsContact CZ-CZ 3.48Å; Y158-F170 WeakPolarHBondContact OH-CE2 3.48Å; Y158-F170 WeakPolarHBondContact OH-CZ 3.47Å; Y158-V173 HydrophobicContact CD2-CG2 4.06Å; Y158-F188 AromaticContact CD1-CD2 3.56Å; Y158-F188 HydrophobicContact CD1-CD2 3.56Å; Y158-F188 AromaticContact CD1-CE2 3.74Å; Y158-F188 HydrophobicContact CD1-CE2 3.74Å; Y158-F188 AromaticContact CD1-CG 3.97Å; Y158-F188 HydrophobicContact CD1-CG 3.97Å; Y158-F188 HydrophobicContact CD1-CZ 4.3Å; Y158-F188 HydrophobicContact CE1-CD1 4.07Å; Y158-F188 AromaticContact CE1-CD2 3.84Å; Y158-F188 HydrophobicContact CE1-CD2 3.84Å; Y158-F188 AromaticContact CE1-CE1 3.98Å; Y158-F188 HydrophobicContact CE1-CE1 3.98Å; Y158-F188 AromaticContact CE1-CE2 3.75Å; Y158-F188 HydrophobicContact CE1-CE2 3.75Å; Y158-F188 HydrophobicContact CE1-CG 4Å; Y158-F188 AromaticContact CE1-CZ 3.82Å; Y158-F188 HydrophobicContact CE1-CZ 3.82Å |
| 159 | M | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.8 | -46.2 | 177.5 | -178.4 | 161.6 | 169.6 | 0 | 0 | 111.9 | L134 A155 C156 L157 C161 R162 Q163 F188 I191 L192 L195 T197 V199 | L134-M159 HydrophobicContact CD1-CB 4.11Å; L134-M159 HydrophobicContact CD1-CG 3.99Å; L134-M159 HydrophobicContact CD2-CE 4.33Å; A155-M159 WeakPolarHBondContact O-CB 3.48Å; A155-M159 PolarHBondContact O-N 2.98Å; C156-M159 PolarHBondContact O-N 3.48Å; L157-M159 VanDerWaalsContact C-N 3.31Å; L157-M159 PolarHBondContact O-N 2.94Å; M159-C161 VanDerWaalsContact C-N 3.35Å; M159-C161 PolarHBondContact O-N 2.93Å; M159-R162 PolarHBondContact O-N 3.2Å; M159-Q163 HydrophobicContact CG-CG 4.48Å; M159-Q163 PolarHBondContact O-N 2.72Å; M159-F188 HydrophobicContact CB-CD2 4.25Å; M159-F188 HydrophobicContact CB-CE2 4Å; M159-F188 HydrophobicContact CG-CE2 4.26Å; M159-I191 HydrophobicContact SD-CG2 3.55Å; M159-I191 VanDerWaalsContact SD-CG2 3.55Å; M159-L192 HydrophobicContact CE-CD2 4.1Å; M159-L192 HydrophobicContact SD-CD2 4.14Å; M159-L195 HydrophobicContact CE-CD1 4.12Å; M159-T197 HydrophobicContact CE-CG2 3.79Å; M159-V199 HydrophobicContact CE-CG2 4.22Å; M159-V199 HydrophobicContact CG-CG2 4.28Å |
| 160 | A | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.8 | -47.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I127 H130 A131 L134 C156 L157 R162 Q163 E164 | I127-A160 HydrophobicContact CG2-CB 4.06Å; H130-A160 HydrophobicContact CB-CB 4.34Å; A131-A160 HydrophobicContact CB-CB 3.88Å; L134-A160 HydrophobicContact CD1-CB 4.02Å; C156-A160 WeakPolarHBondContact O-CB 3.46Å; C156-A160 PolarHBondContact O-N 3.03Å; L157-A160 PolarHBondContact O-N 3.26Å; A160-R162 PolarHBondContact O-N 3.28Å; A160-Q163 PolarHBondContact O-N 3.05Å; A160-Q163 VanDerWaalsContact O-N 3.11Å; A160-E164 WeakPolarHBondContact O-CB 3.46Å; A160-E164 VanDerWaalsContact O-CG 3.29Å; A160-E164 WeakPolarHBondContact O-CG 3.4Å; A160-E164 PolarHBondContact O-N 3.38Å |
| 161 | C | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57 | -35.6 | 176.1 | -67.3 | 0 | 0 | 0 | 0 | 113.1 | L123 L157 M159 V166 R168 | L123-C161 VanDerWaalsContact CD1-SG 3.6Å; L157-C161 PolarHBondContact O-N 2.99Å; L157-C161 PolarHBondContact O-SG 3.48Å; M159-C161 VanDerWaalsContact C-N 3.35Å; M159-C161 PolarHBondContact O-N 2.93Å; C161-V166 CarbonylContact O-C 3.3Å; C161-V166 WeakPolarHBondContact O-CA 3.38Å; C161-V166 PolarHBondContact O-N 3.19Å; C161-R168 HydrophobicContact CB-CG 4.19Å |
| 162 | R | 95.6 | Very high | 96.2 | Very high | 41 Ų | 41 | 26.6 Ų | 26.6 | 16% | 0.155 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -77.5 | -34.4 | 177.6 | -65.5 | -170.2 | 66.9 | -168.7 | 0.1 | 112.8 | Y158 M159 A160 G165 P167 V199 Q200 | Y158-R162 HydrophobicContact CE1-CG 4.37Å; Y158-R162 PolarHBondContact O-N 3.46Å; M159-R162 PolarHBondContact O-N 3.2Å; A160-R162 PolarHBondContact O-N 3.28Å; R162-G165 PolarHBondContact O-N 3Å; R162-P167 HydrophobicContact CG-CB 3.98Å; R162-V199 HydrophobicContact CB-CG1 3.25Å; R162-V199 HydrophobicContact CG-CG1 4.15Å; R162-Q200 PolarHBondContact NH2-O 2.9Å |
| 163 | Q | 95.3 | Very high | 96.2 | Very high | 64 Ų | 64 | 26.3 Ų | 26.3 | 30% | 0.299 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -70.3 | -35.1 | 177.2 | -73.9 | 175.4 | -52.2 | 0 | 0 | 111.9 | H130 M159 A160 G165 V199 | H130-Q163 PolarHBondContact CE1-OE1 2.88Å; H130-Q163 PolarHBondContact NE2-OE1 3.21Å; M159-Q163 HydrophobicContact CG-CG 4.48Å; M159-Q163 PolarHBondContact O-N 2.72Å; A160-Q163 PolarHBondContact O-N 3.05Å; A160-Q163 VanDerWaalsContact O-N 3.11Å; Q163-G165 PolarHBondContact O-N 3.3Å; Q163-V199 HydrophobicContact CG-CG2 4.24Å |
| 164 | E | 94.8 | Very high | 96.1 | Very high | 88 Ų | 88 | 28.3 Ų | 28.3 | 41% | 0.411 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 7.7 | 175.7 | -63.6 | -64.7 | 146.3 | 0 | 0 | 113.6 | I127 H130 A160 V166 | I127-E164 HydrophobicContact CD1-CB 4.42Å; I127-E164 HydrophobicContact CG1-CB 4.43Å; I127-E164 HydrophobicContact CG1-CG 4.14Å; H130-E164 IonicContact CE1-OE1 3.69Å; H130-E164 IonicContact CG-OE1 3.09Å; H130-E164 IonicContact ND1-OE1 3.17Å; H130-E164 PolarHBondContact ND1-OE1 3.37Å; A160-E164 WeakPolarHBondContact O-CB 3.46Å; A160-E164 VanDerWaalsContact O-CG 3.29Å; A160-E164 WeakPolarHBondContact O-CG 3.4Å; A160-E164 PolarHBondContact O-N 3.38Å; E164-V166 HydrophobicContact CB-CG2 4.06Å; E164-V166 PolarHBondContact O-N 3.4Å |
| 165 | G | 93.6 | Very high | 96 | Very high | 49 Ų | 49 | 32.4 Ų | 32.4 | 51% | 0.505 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 12.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R162 Q163 P167 | R162-G165 PolarHBondContact O-N 3Å; Q163-G165 PolarHBondContact O-N 3.3Å; G165-P167 WeakPolarHBondContact O-CD 3.46Å |
| 166 | V | 94.8 | Very high | 96 | Very high | 60 Ų | 60 | 34.2 Ų | 34.2 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | trans | -123.2 | 58.8 | -179.2 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | I127 C161 E164 R168 | I127-V166 HydrophobicContact CD1-CG2 3.53Å; C161-V166 CarbonylContact O-C 3.3Å; C161-V166 WeakPolarHBondContact O-CA 3.38Å; C161-V166 PolarHBondContact O-N 3.19Å; E164-V166 HydrophobicContact CB-CG2 4.06Å; E164-V166 PolarHBondContact O-N 3.4Å; V166-R168 PolarHBondContact O-N 3.35Å; V166-R168 PolarHBondContact O-NH1 3.46Å | ||
| 167 | P | 96.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.032 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 136.5 | -170.5 | 26.5 | -36.2 | 0 | 0 | 0 | 112.5 | R162 G165 V202 D206 R210 | R162-P167 HydrophobicContact CG-CB 3.98Å; G165-P167 WeakPolarHBondContact O-CD 3.46Å; P167-V202 HydrophobicContact CB-CG1 4.08Å; P167-V202 HydrophobicContact CB-CG2 3.87Å; P167-V202 HydrophobicContact CG-CG1 3.74Å; P167-V202 HydrophobicContact CG-CG2 4.24Å; P167-D206 HydrophobicContact CG-CB 3.41Å; P167-D206 VanDerWaalsContact CG-CB 3.41Å; P167-D206 WeakPolarHBondContact CG-OD2 3.4Å; P167-R210 PolarHBondContact O-NH1 2.9Å; P167-R210 PolarHBondContact O-NH2 2.74Å |
| 168 | R | 96.1 | Very high | 95.7 | Very high | 30 Ų | 30 | 44.6 Ų | 44.6 | 11% | 0.113 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -97 | 148.9 | 168.6 | -63.9 | -58.3 | -173.8 | -91.9 | 10.3 | 109.5 | L123 Y158 C161 V166 E172 V173 R210 | L123-R168 VanDerWaalsContact CD2-CZ 3.41Å; Y158-R168 WeakPolarHBondContact CE2-O 3.19Å; C161-R168 HydrophobicContact CB-CG 4.19Å; V166-R168 PolarHBondContact O-N 3.35Å; V166-R168 PolarHBondContact O-NH1 3.46Å; R168-E172 HydrophobicContact CB-CB 4.5Å; R168-V173 HydrophobicContact CB-CG2 3.81Å; R168-R210 VanDerWaalsContact CD-CZ 3.48Å |
| 169 | T | 95.8 | Very high | 95.6 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 9% | 0.086 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 154.2 | 172.1 | 67.8 | 0 | 0 | 0 | 0 | 109.6 | K171 E172 V173 F207 F211 V244 | T169-K171 PolarHBondContact O-N 3.09Å; T169-K171 VanDerWaalsContact O-N 3.13Å; T169-K171 PolarHBondContact OG1-N 3.06Å; T169-E172 VanDerWaalsContact CB-OE2 3.32Å; T169-E172 WeakPolarHBondContact CB-OE2 3.49Å; T169-E172 VanDerWaalsContact CG2-OE2 3.3Å; T169-E172 WeakPolarHBondContact CG2-OE2 3.11Å; T169-E172 PolarHBondContact N-OE2 3.03Å; T169-E172 PolarHBondContact O-N 3.23Å; T169-E172 VanDerWaalsContact OG1-CG 3.3Å; T169-E172 WeakPolarHBondContact OG1-CG 3.44Å; T169-E172 PolarHBondContact OG1-N 3.14Å; T169-E172 VanDerWaalsContact OG1-N 3.12Å; T169-E172 PolarHBondContact OG1-OE2 2.79Å; T169-V173 PolarHBondContact O-N 2.63Å; T169-V173 VanDerWaalsContact O-N 3.16Å; T169-F207 HydrophobicContact CG2-CD1 4.16Å; T169-F207 HydrophobicContact CG2-CE1 3.52Å; T169-F207 HydrophobicContact CG2-CZ 3.97Å; T169-F211 HydrophobicContact CG2-CZ 4.34Å; T169-V244 HydrophobicContact CG2-CG1 4.19Å; T169-V244 HydrophobicContact CG2-CG2 3.65Å |
| 170 | F | 94.8 | Very high | 95.6 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 22% | 0.219 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.9 | -27 | 172.2 | -74.6 | -69 | 0 | 0 | 0 | 112.9 | Y158 C174 K181 I184 | Y158-F170 HydrophobicContact CD1-CE1 4.05Å; Y158-F170 HydrophobicContact CD1-CZ 4.4Å; Y158-F170 HydrophobicContact CD2-CD1 4.3Å; Y158-F170 HydrophobicContact CD2-CE1 4.27Å; Y158-F170 AromaticContact CE1-CE1 3.72Å; Y158-F170 HydrophobicContact CE1-CE1 3.72Å; Y158-F170 HydrophobicContact CE1-CE2 4.44Å; Y158-F170 AromaticContact CE1-CZ 3.63Å; Y158-F170 HydrophobicContact CE1-CZ 3.63Å; Y158-F170 HydrophobicContact CE2-CD1 4.02Å; Y158-F170 HydrophobicContact CE2-CD2 4.47Å; Y158-F170 AromaticContact CE2-CE1 3.93Å; Y158-F170 HydrophobicContact CE2-CE1 3.93Å; Y158-F170 HydrophobicContact CE2-CE2 4.4Å; Y158-F170 HydrophobicContact CE2-CG 4.29Å; Y158-F170 HydrophobicContact CE2-CZ 4.13Å; Y158-F170 HydrophobicContact CG-CE1 4.32Å; Y158-F170 AromaticContact CZ-CE1 3.67Å; Y158-F170 AromaticContact CZ-CE2 3.87Å; Y158-F170 AromaticContact CZ-CZ 3.48Å; Y158-F170 VanDerWaalsContact CZ-CZ 3.48Å; Y158-F170 WeakPolarHBondContact OH-CE2 3.48Å; Y158-F170 WeakPolarHBondContact OH-CZ 3.47Å; F170-C174 WeakPolarHBondContact O-CB 3.43Å; F170-C174 PolarHBondContact O-N 3.04Å; F170-K181 HydrophobicContact CB-CD 4.15Å; F170-K181 HydrophobicContact CB-CG 3.97Å; F170-K181 HydrophobicContact CG-CG 4.47Å; F170-I184 HydrophobicContact CD1-CB 4.37Å; F170-I184 HydrophobicContact CD1-CG2 3.86Å; F170-I184 HydrophobicContact CE1-CG2 3.88Å |
| 171 | K | 94.6 | Very high | 95.5 | Very high | 106 Ų | 106 | 53.2 Ų | 53.2 | 46% | 0.461 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.9 | -41.6 | 178.8 | -78 | -173.5 | 173.8 | -165.9 | 0 | 111.8 | T169 V173 C174 A175 G272 | T169-K171 PolarHBondContact O-N 3.09Å; T169-K171 VanDerWaalsContact O-N 3.13Å; T169-K171 PolarHBondContact OG1-N 3.06Å; K171-V173 VanDerWaalsContact C-N 3.35Å; K171-V173 PolarHBondContact O-N 2.78Å; K171-C174 PolarHBondContact O-N 3.46Å; K171-A175 WeakPolarHBondContact O-CB 3.48Å; K171-A175 PolarHBondContact O-N 3.35Å; K171-G272 WeakPolarHBondContact CD-O 3.17Å; K171-G272 WeakPolarHBondContact CE-O 3.4Å; K171-G272 PolarHBondContact NZ-O 3.37Å |
| 172 | E | 95.4 | Very high | 95.5 | Very high | 31 Ų | 31 | 60.5 Ų | 60.5 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 173.9 | -72.7 | 164.5 | 114.4 | 0 | 0 | 111.1 | L121 R168 T169 C174 A175 R210 | L121-E172 HydrophobicContact CD2-CB 4.35Å; R168-E172 HydrophobicContact CB-CB 4.5Å; T169-E172 VanDerWaalsContact CB-OE2 3.32Å; T169-E172 WeakPolarHBondContact CB-OE2 3.49Å; T169-E172 VanDerWaalsContact CG2-OE2 3.3Å; T169-E172 WeakPolarHBondContact CG2-OE2 3.11Å; T169-E172 PolarHBondContact N-OE2 3.03Å; T169-E172 PolarHBondContact O-N 3.23Å; T169-E172 VanDerWaalsContact OG1-CG 3.3Å; T169-E172 WeakPolarHBondContact OG1-CG 3.44Å; T169-E172 PolarHBondContact OG1-N 3.14Å; T169-E172 VanDerWaalsContact OG1-N 3.12Å; T169-E172 PolarHBondContact OG1-OE2 2.79Å; E172-C174 PolarHBondContact O-N 3.26Å; E172-A175 WeakPolarHBondContact O-CB 3.33Å; E172-A175 PolarHBondContact O-N 2.83Å; E172-R210 VanDerWaalsContact CD-NH2 3.3Å; E172-R210 IonicContact OE1-CZ 2.59Å; E172-R210 IonicContact OE1-NE 3.9Å; E172-R210 PolarHBondContact OE1-NE 3.04Å; E172-R210 IonicContact OE1-NH2 2.64Å; E172-R210 PolarHBondContact OE1-NH2 3.39Å; E172-R210 IonicContact OE2-CZ 2.73Å; E172-R210 IonicContact OE2-NE 3.33Å; E172-R210 IonicContact OE2-NH2 3.61Å; E172-R210 PolarHBondContact OE2-NH2 3.31Å |
| 173 | V | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.9 | -37.4 | 178.9 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | L121 T154 Y158 R168 T169 K171 A175 V176 S177 I184 | L121-V173 HydrophobicContact CD1-CG2 4.45Å; T154-V173 HydrophobicContact CG2-CG1 3.28Å; Y158-V173 HydrophobicContact CD2-CG2 4.06Å; R168-V173 HydrophobicContact CB-CG2 3.81Å; T169-V173 PolarHBondContact O-N 2.63Å; T169-V173 VanDerWaalsContact O-N 3.16Å; K171-V173 VanDerWaalsContact C-N 3.35Å; K171-V173 PolarHBondContact O-N 2.78Å; V173-A175 PolarHBondContact O-N 2.91Å; V173-V176 WeakPolarHBondContact O-CG2 3.49Å; V173-V176 PolarHBondContact O-N 3.11Å; V173-S177 VanDerWaalsContact O-CB 3.25Å; V173-S177 WeakPolarHBondContact O-CB 3.35Å; V173-S177 PolarHBondContact O-N 3.2Å; V173-I184 HydrophobicContact CG1-CD1 4.38Å |
| 174 | C | 95.8 | Very high | 95.6 | Very high | 43 Ų | 43 | 57.6 Ų | 57.6 | 29% | 0.291 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.6 | -22 | 175 | -170.2 | 0 | 0 | 0 | 0 | 112.8 | F170 K171 E172 V176 V179 I184 | F170-C174 WeakPolarHBondContact O-CB 3.43Å; F170-C174 PolarHBondContact O-N 3.04Å; K171-C174 PolarHBondContact O-N 3.46Å; E172-C174 PolarHBondContact O-N 3.26Å; C174-V176 VanDerWaalsContact C-N 3.35Å; C174-V179 PolarHBondContact SG-O 3.47Å; C174-V179 VanDerWaalsContact SG-O 3.37Å; C174-I184 HydrophobicContact CB-CD1 4.26Å |
| 175 | A | 95.4 | Very high | 95.6 | Very high | 86 Ų | 86 | 54.3 Ų | 54.3 | 71% | 0.711 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -74.5 | -27.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K171 E172 V173 | K171-A175 WeakPolarHBondContact O-CB 3.48Å; K171-A175 PolarHBondContact O-N 3.35Å; E172-A175 WeakPolarHBondContact O-CB 3.33Å; E172-A175 PolarHBondContact O-N 2.83Å; V173-A175 PolarHBondContact O-N 2.91Å |
| 176 | V | 96.3 | Very high | 95.7 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -101.9 | -4.4 | 179.1 | -58.5 | 0 | 0 | 0 | 0 | 113.4 | M117 H120 L121 V173 C174 | M117-V176 HydrophobicContact CB-CG2 4.04Å; M117-V176 HydrophobicContact CG-CG2 4.09Å; H120-V176 HydrophobicContact CB-CB 4.1Å; H120-V176 HydrophobicContact CB-CG1 3.59Å; L121-V176 HydrophobicContact CD1-CG2 3.8Å; L121-V176 HydrophobicContact CD2-CG1 3.75Å; L121-V176 HydrophobicContact CD2-CG2 4.21Å; L121-V176 HydrophobicContact CG-CB 4.45Å; L121-V176 HydrophobicContact CG-CG1 3.88Å; L121-V176 HydrophobicContact CG-CG2 3.84Å; V173-V176 WeakPolarHBondContact O-CG2 3.49Å; V173-V176 PolarHBondContact O-N 3.11Å; C174-V176 VanDerWaalsContact C-N 3.35Å |
| 177 | S | 95.7 | Very high | 95.7 | Very high | 16 Ų | 16 | 53.6 Ų | 53.6 | 11% | 0.112 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -117.9 | 152.7 | -178.7 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | T154 V173 V179 | T154-S177 WeakPolarHBondContact CG2-OG 3.25Å; T154-S177 WeakPolarHBondContact OG1-CB 3.25Å; T154-S177 PolarHBondContact OG1-OG 3.41Å; V173-S177 VanDerWaalsContact O-CB 3.25Å; V173-S177 WeakPolarHBondContact O-CB 3.35Å; V173-S177 PolarHBondContact O-N 3.2Å; S177-V179 PolarHBondContact O-N 3.43Å; S177-V179 WeakPolarHBondContact OG-CB 3.49Å; S177-V179 WeakPolarHBondContact OG-CG2 3.3Å; S177-V179 PolarHBondContact OG-N 3.05Å; S177-V179 VanDerWaalsContact OG-N 3.14Å |
| 178 | R | 93.9 | Very high | 95.7 | Very high | 202 Ų | 202 | 54 Ų | 54 | 76% | 0.762 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -79 | -1.9 | 172.7 | -61.5 | 179.2 | -68.7 | -166.9 | -3 | 113 | D150 | D150-R178 IonicContact OD1-NH2 3.26Å; D150-R178 IonicContact OD2-CZ 3.86Å; D150-R178 VanDerWaalsContact OD2-CZ 3.3Å; D150-R178 IonicContact OD2-NE 3.4Å; D150-R178 PolarHBondContact OD2-NE 2.72Å; D150-R178 IonicContact OD2-NH2 2.68Å; D150-R178 PolarHBondContact OD2-NH2 3.38Å |
| 179 | V | 96 | Very high | 95.6 | Very high | 15 Ų | 15 | 60.1 Ų | 60.1 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -96.6 | 129.9 | -169.3 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | D150 A151 C174 S177 E183 I184 | D150-V179 HydrophobicContact CB-CG2 3.84Å; A151-V179 HydrophobicContact CB-CG1 3.69Å; A151-V179 HydrophobicContact CB-CG2 4.06Å; C174-V179 PolarHBondContact SG-O 3.47Å; C174-V179 VanDerWaalsContact SG-O 3.37Å; S177-V179 PolarHBondContact O-N 3.43Å; S177-V179 WeakPolarHBondContact OG-CB 3.49Å; S177-V179 WeakPolarHBondContact OG-CG2 3.3Å; S177-V179 PolarHBondContact OG-N 3.05Å; S177-V179 VanDerWaalsContact OG-N 3.14Å; V179-E183 HydrophobicContact CG1-CB 3.84Å; V179-E183 HydrophobicContact CG1-CG 4Å; V179-I184 HydrophobicContact CB-CD1 4.47Å; V179-I184 HydrophobicContact CB-CG1 4.03Å; V179-I184 HydrophobicContact CG1-CG1 3.69Å; V179-I184 WeakPolarHBondContact O-CD1 3.47Å |
| 180 | S | 96.4 | Very high | 95.6 | Very high | 68 Ų | 68 | 63.6 Ų | 63.6 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | trans | -62.2 | 144.8 | 177.7 | 74.3 | 0 | 0 | 0 | 0 | 112.6 | K182 E183 I184 | S180-K182 PolarHBondContact O-N 3.35Å; S180-E183 PolarHBondContact O-N 3.33Å; S180-E183 PolarHBondContact OG-N 2.89Å; S180-I184 WeakPolarHBondContact O-CG1 3.41Å; S180-I184 PolarHBondContact O-N 2.69Å | ||
| 181 | K | 95.8 | Very high | 95.7 | Very high | 112 Ų | 112 | 61.2 Ų | 61.2 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -46.4 | -40 | 173.9 | 174.3 | 175 | 178.2 | -173.9 | 0 | 113.9 | F170 E183 G185 | F170-K181 HydrophobicContact CB-CD 4.15Å; F170-K181 HydrophobicContact CB-CG 3.97Å; F170-K181 HydrophobicContact CG-CG 4.47Å; K181-E183 VanDerWaalsContact C-N 3.33Å; K181-G185 PolarHBondContact O-N 2.94Å; K181-G185 VanDerWaalsContact O-N 3.08Å |
| 182 | K | 96.3 | Very high | 95.7 | Very high | 153 Ų | 153 | 58.1 Ų | 58.1 | 67% | 0.665 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.2 | -40 | -180 | -175.6 | 178.2 | -177.1 | 178.1 | 0 | 111.4 | S180 K186 | S180-K182 PolarHBondContact O-N 3.35Å; K182-K186 WeakPolarHBondContact O-CG 3.42Å; K182-K186 PolarHBondContact O-N 3.28Å |
| 183 | E | 96.2 | Very high | 95.6 | Very high | 44 Ų | 44 | 65 Ų | 65 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -75.7 | -42.4 | -179.1 | -171.3 | 59 | -163.2 | 0 | 0 | 111.3 | R147 A151 V179 S180 K181 G185 K186 V187 | R147-E183 WeakPolarHBondContact CD-OE1 3.44Å; R147-E183 IonicContact CZ-OE1 2.76Å; R147-E183 IonicContact NE-OE1 3.36Å; R147-E183 IonicContact NH1-OE1 2.8Å; R147-E183 PolarHBondContact NH1-OE1 2.71Å; R147-E183 IonicContact NH1-OE2 3.18Å; R147-E183 PolarHBondContact NH1-OE2 3.35Å; A151-E183 HydrophobicContact CB-CG 4.09Å; V179-E183 HydrophobicContact CG1-CB 3.84Å; V179-E183 HydrophobicContact CG1-CG 4Å; S180-E183 PolarHBondContact O-N 3.33Å; S180-E183 PolarHBondContact OG-N 2.89Å; K181-E183 VanDerWaalsContact C-N 3.33Å; E183-G185 VanDerWaalsContact C-N 3.29Å; E183-G185 PolarHBondContact O-N 3.46Å; E183-K186 PolarHBondContact O-N 3.04Å; E183-K186 VanDerWaalsContact O-N 3.11Å; E183-V187 HydrophobicContact CG-CG2 4.44Å; E183-V187 WeakPolarHBondContact O-CG2 3.47Å; E183-V187 PolarHBondContact O-N 3.41Å |
| 184 | I | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -53.7 | -48.4 | 173 | -57.2 | 170.7 | 0 | 0 | 0 | 110.1 | T154 A155 F170 V173 C174 V179 S180 K186 V187 F188 | T154-I184 HydrophobicContact CG2-CD1 3.58Å; T154-I184 HydrophobicContact CG2-CG1 3.8Å; T154-I184 HydrophobicContact CG2-CG2 4.37Å; A155-I184 HydrophobicContact CB-CG2 4.49Å; F170-I184 HydrophobicContact CD1-CB 4.37Å; F170-I184 HydrophobicContact CD1-CG2 3.86Å; F170-I184 HydrophobicContact CE1-CG2 3.88Å; V173-I184 HydrophobicContact CG1-CD1 4.38Å; C174-I184 HydrophobicContact CB-CD1 4.26Å; V179-I184 HydrophobicContact CB-CD1 4.47Å; V179-I184 HydrophobicContact CB-CG1 4.03Å; V179-I184 HydrophobicContact CG1-CG1 3.69Å; V179-I184 WeakPolarHBondContact O-CD1 3.47Å; S180-I184 WeakPolarHBondContact O-CG1 3.41Å; S180-I184 PolarHBondContact O-N 2.69Å; I184-K186 PolarHBondContact O-N 3Å; I184-V187 PolarHBondContact O-N 3.15Å; I184-F188 WeakPolarHBondContact O-CB 3.21Å; I184-F188 PolarHBondContact O-N 2.8Å |
| 185 | G | 95.3 | Very high | 95.4 | Very high | 19 Ų | 19 | 66 Ų | 66 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.9 | -35.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K181 E183 K189 | K181-G185 PolarHBondContact O-N 2.94Å; K181-G185 VanDerWaalsContact O-N 3.08Å; E183-G185 VanDerWaalsContact C-N 3.29Å; E183-G185 PolarHBondContact O-N 3.46Å; G185-K189 WeakPolarHBondContact O-CG 3.44Å; G185-K189 PolarHBondContact O-N 3.28Å |
| 186 | K | 95.6 | Very high | 95.2 | Very high | 94 Ų | 94 | 70.5 Ų | 70.5 | 41% | 0.409 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.2 | -45.8 | 175.1 | -76.2 | 175.2 | 179.4 | -179.4 | 0 | 111.4 | K182 E183 I184 K190 | K182-K186 WeakPolarHBondContact O-CG 3.42Å; K182-K186 PolarHBondContact O-N 3.28Å; E183-K186 PolarHBondContact O-N 3.04Å; E183-K186 VanDerWaalsContact O-N 3.11Å; I184-K186 PolarHBondContact O-N 3Å; K186-K190 WeakPolarHBondContact O-CG 3.35Å; K186-K190 PolarHBondContact O-N 2.83Å |
| 187 | V | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.9 | -44.3 | -179.2 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | L144 A151 V152 A155 E183 I184 K189 K190 I191 | L144-V187 HydrophobicContact CD1-CG1 4.17Å; A151-V187 HydrophobicContact CB-CG2 4.1Å; V152-V187 HydrophobicContact CG2-CG1 4.11Å; A155-V187 HydrophobicContact CB-CB 4.07Å; A155-V187 HydrophobicContact CB-CG1 3.71Å; E183-V187 HydrophobicContact CG-CG2 4.44Å; E183-V187 WeakPolarHBondContact O-CG2 3.47Å; E183-V187 PolarHBondContact O-N 3.41Å; I184-V187 PolarHBondContact O-N 3.15Å; V187-K189 PolarHBondContact O-N 3.44Å; V187-K190 WeakPolarHBondContact O-CA 3.36Å; V187-K190 WeakPolarHBondContact O-CB 3.41Å; V187-K190 PolarHBondContact O-N 3.37Å; V187-I191 HydrophobicContact CG1-CD1 3.84Å; V187-I191 HydrophobicContact CG1-CG1 4.24Å; V187-I191 WeakPolarHBondContact O-CG1 3.48Å; V187-I191 PolarHBondContact O-N 3.42Å |
| 188 | F | 95.7 | Very high | 94.4 | Very high | 14 Ų | 14 | 77.6 Ų | 77.6 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -53.3 | -48.9 | 174.8 | 174.8 | -109.3 | 0 | 0 | 0 | 112.6 | A155 Y158 M159 I184 K190 I191 L192 | A155-F188 HydrophobicContact CB-CB 4.37Å; Y158-F188 AromaticContact CD1-CD2 3.56Å; Y158-F188 HydrophobicContact CD1-CD2 3.56Å; Y158-F188 AromaticContact CD1-CE2 3.74Å; Y158-F188 HydrophobicContact CD1-CE2 3.74Å; Y158-F188 AromaticContact CD1-CG 3.97Å; Y158-F188 HydrophobicContact CD1-CG 3.97Å; Y158-F188 HydrophobicContact CD1-CZ 4.3Å; Y158-F188 HydrophobicContact CE1-CD1 4.07Å; Y158-F188 AromaticContact CE1-CD2 3.84Å; Y158-F188 HydrophobicContact CE1-CD2 3.84Å; Y158-F188 AromaticContact CE1-CE1 3.98Å; Y158-F188 HydrophobicContact CE1-CE1 3.98Å; Y158-F188 AromaticContact CE1-CE2 3.75Å; Y158-F188 HydrophobicContact CE1-CE2 3.75Å; Y158-F188 HydrophobicContact CE1-CG 4Å; Y158-F188 AromaticContact CE1-CZ 3.82Å; Y158-F188 HydrophobicContact CE1-CZ 3.82Å; M159-F188 HydrophobicContact CB-CD2 4.25Å; M159-F188 HydrophobicContact CB-CE2 4Å; M159-F188 HydrophobicContact CG-CE2 4.26Å; I184-F188 WeakPolarHBondContact O-CB 3.21Å; I184-F188 PolarHBondContact O-N 2.8Å; F188-K190 VanDerWaalsContact C-N 3.26Å; F188-K190 PolarHBondContact O-N 3.36Å; F188-I191 PolarHBondContact O-N 2.86Å; F188-L192 HydrophobicContact CD1-CD1 4.15Å; F188-L192 HydrophobicContact CE1-CD1 3.54Å; F188-L192 HydrophobicContact CE1-CG 4.3Å; F188-L192 HydrophobicContact CE2-CD1 4.26Å; F188-L192 HydrophobicContact CE2-CD2 4.21Å; F188-L192 HydrophobicContact CE2-CG 4.17Å; F188-L192 HydrophobicContact CZ-CD1 3.6Å; F188-L192 HydrophobicContact CZ-CD2 4.1Å; F188-L192 HydrophobicContact CZ-CG 4Å; F188-L192 WeakPolarHBondContact O-CG 3.29Å; F188-L192 PolarHBondContact O-N 3.22Å |
| 189 | K | 94.8 | Very high | 94.1 | Very high | 158 Ų | 158 | 69.1 Ų | 69.1 | 69% | 0.687 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.4 | -34.8 | 176.5 | -74.6 | -178.4 | -179.7 | -172 | 0 | 113 | G185 V187 K193 | G185-K189 WeakPolarHBondContact O-CG 3.44Å; G185-K189 PolarHBondContact O-N 3.28Å; V187-K189 PolarHBondContact O-N 3.44Å; K189-K193 PolarHBondContact O-N 2.91Å |
| 190 | K | 95.2 | Very high | 93.8 | Very high | 86 Ų | 86 | 76.7 Ų | 76.7 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72 | -42.5 | 176.2 | -70.7 | -176.7 | 171.5 | -160.9 | 0 | 111.8 | L144 K186 V187 F188 L192 K193 I194 | L144-K190 HydrophobicContact CD2-CB 3.78Å; L144-K190 HydrophobicContact CD2-CD 3.82Å; L144-K190 HydrophobicContact CD2-CG 4.48Å; K186-K190 WeakPolarHBondContact O-CG 3.35Å; K186-K190 PolarHBondContact O-N 2.83Å; V187-K190 WeakPolarHBondContact O-CA 3.36Å; V187-K190 WeakPolarHBondContact O-CB 3.41Å; V187-K190 PolarHBondContact O-N 3.37Å; F188-K190 VanDerWaalsContact C-N 3.26Å; F188-K190 PolarHBondContact O-N 3.36Å; K190-L192 VanDerWaalsContact C-N 3.33Å; K190-L192 PolarHBondContact O-N 2.95Å; K190-K193 PolarHBondContact O-N 3.49Å; K190-K193 VanDerWaalsContact O-N 3.12Å; K190-I194 HydrophobicContact CB-CD1 4.49Å; K190-I194 WeakPolarHBondContact O-CD1 3.41Å; K190-I194 VanDerWaalsContact O-CG1 3.26Å; K190-I194 WeakPolarHBondContact O-CG1 3.46Å; K190-I194 PolarHBondContact O-N 3.08Å |
| 191 | I | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.4 | -46.8 | 177.4 | -68.6 | 170.9 | 0 | 0 | 0 | 110.2 | V138 L144 V152 A155 M159 V187 F188 K193 I194 L195 | V138-I191 HydrophobicContact CG1-CG1 4.27Å; V138-I191 HydrophobicContact CG2-CB 4.49Å; V138-I191 HydrophobicContact CG2-CG1 4.14Å; V138-I191 HydrophobicContact CG2-CG2 3.79Å; L144-I191 HydrophobicContact CD1-CD1 4.41Å; L144-I191 HydrophobicContact CD1-CG1 3.78Å; V152-I191 HydrophobicContact CG1-CD1 4.44Å; A155-I191 HydrophobicContact CB-CD1 3.64Å; M159-I191 HydrophobicContact SD-CG2 3.55Å; M159-I191 VanDerWaalsContact SD-CG2 3.55Å; V187-I191 HydrophobicContact CG1-CD1 3.84Å; V187-I191 HydrophobicContact CG1-CG1 4.24Å; V187-I191 WeakPolarHBondContact O-CG1 3.48Å; V187-I191 PolarHBondContact O-N 3.42Å; F188-I191 PolarHBondContact O-N 2.86Å; I191-K193 PolarHBondContact O-N 2.88Å; I191-I194 PolarHBondContact O-N 3.27Å; I191-I194 VanDerWaalsContact O-N 3.07Å; I191-L195 HydrophobicContact CG2-CD1 3.71Å; I191-L195 HydrophobicContact CG2-CG 4.16Å; I191-L195 PolarHBondContact O-N 3.35Å |
| 192 | L | 94.9 | Very high | 93.3 | Very high | 41 Ų | 41 | 74.6 Ų | 74.6 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -54.1 | -42.1 | 175.3 | -70.3 | 175.1 | 0 | 0 | 0 | 112.6 | M159 F188 K190 E196 T197 V199 | M159-L192 HydrophobicContact CE-CD2 4.1Å; M159-L192 HydrophobicContact SD-CD2 4.14Å; F188-L192 HydrophobicContact CD1-CD1 4.15Å; F188-L192 HydrophobicContact CE1-CD1 3.54Å; F188-L192 HydrophobicContact CE1-CG 4.3Å; F188-L192 HydrophobicContact CE2-CD1 4.26Å; F188-L192 HydrophobicContact CE2-CD2 4.21Å; F188-L192 HydrophobicContact CE2-CG 4.17Å; F188-L192 HydrophobicContact CZ-CD1 3.6Å; F188-L192 HydrophobicContact CZ-CD2 4.1Å; F188-L192 HydrophobicContact CZ-CG 4Å; F188-L192 WeakPolarHBondContact O-CG 3.29Å; F188-L192 PolarHBondContact O-N 3.22Å; K190-L192 VanDerWaalsContact C-N 3.33Å; K190-L192 PolarHBondContact O-N 2.95Å; L192-E196 PolarHBondContact O-N 3.49Å; L192-E196 VanDerWaalsContact O-N 3.17Å; L192-T197 WeakPolarHBondContact CD2-O 3.36Å; L192-T197 PolarHBondContact O-N 3.34Å; L192-V199 HydrophobicContact CD2-CB 4.37Å; L192-V199 HydrophobicContact CD2-CG2 3.53Å |
| 193 | K | 94.2 | Very high | 93.2 | Very high | 177 Ų | 177 | 70.4 Ų | 70.4 | 77% | 0.77 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -70.2 | -36.9 | 178.1 | -171.8 | 178.2 | 179.8 | -179.7 | 0 | 112.5 | K189 K190 I191 | K189-K193 PolarHBondContact O-N 2.91Å; K190-K193 PolarHBondContact O-N 3.49Å; K190-K193 VanDerWaalsContact O-N 3.12Å; I191-K193 PolarHBondContact O-N 2.88Å |
| 194 | I | 93.3 | Very high | 93.1 | Very high | 35 Ų | 35 | 68.6 Ų | 68.6 | 18% | 0.179 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.9 | -43.7 | -177.8 | -70 | 162.3 | 0 | 0 | 0 | 111.1 | T141 N143 L144 K190 I191 E196 | T141-I194 HydrophobicContact CG2-CG2 3.79Å; T141-I194 WeakPolarHBondContact OG1-CG2 3.49Å; N143-I194 HydrophobicContact CB-CD1 3.56Å; N143-I194 HydrophobicContact CB-CG1 3.81Å; N143-I194 HydrophobicContact CB-CG2 4.39Å; L144-I194 HydrophobicContact CD1-CD1 4.26Å; L144-I194 HydrophobicContact CD2-CD1 3.49Å; L144-I194 VanDerWaalsContact CD2-CD1 3.49Å; L144-I194 HydrophobicContact CG-CD1 3.57Å; K190-I194 HydrophobicContact CB-CD1 4.49Å; K190-I194 WeakPolarHBondContact O-CD1 3.41Å; K190-I194 VanDerWaalsContact O-CG1 3.26Å; K190-I194 WeakPolarHBondContact O-CG1 3.46Å; K190-I194 PolarHBondContact O-N 3.08Å; I191-I194 PolarHBondContact O-N 3.27Å; I191-I194 VanDerWaalsContact O-N 3.07Å; I194-E196 VanDerWaalsContact C-N 3.26Å; I194-E196 PolarHBondContact O-N 2.92Å |
| 195 | L | 93.4 | Very high | 93 | Very high | 29 Ų | 29 | 72.5 Ų | 72.5 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 1.3 | -179.2 | -60.5 | -177.3 | 0 | 0 | 0 | 112.9 | L134 Q137 V138 M159 I191 T197 | L134-L195 HydrophobicContact CD2-CD1 3.76Å; Q137-L195 HydrophobicContact CB-CD2 3.9Å; V138-L195 HydrophobicContact CG2-CD1 3.86Å; V138-L195 HydrophobicContact CG2-CD2 3.95Å; V138-L195 HydrophobicContact CG2-CG 3.95Å; M159-L195 HydrophobicContact CE-CD1 4.12Å; I191-L195 HydrophobicContact CG2-CD1 3.71Å; I191-L195 HydrophobicContact CG2-CG 4.16Å; I191-L195 PolarHBondContact O-N 3.35Å; L195-T197 PolarHBondContact O-N 3.08Å; L195-T197 PolarHBondContact O-OG1 2.98Å |
| 196 | E | 92 | Very high | 92.9 | Very high | 180 Ų | 180 | 74.2 Ų | 74.2 | 84% | 0.841 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 34.4 | -177.6 | -58.7 | -174.1 | 163.5 | 0 | 0 | 113.2 | L192 I194 | L192-E196 PolarHBondContact O-N 3.49Å; L192-E196 VanDerWaalsContact O-N 3.17Å; I194-E196 VanDerWaalsContact C-N 3.26Å; I194-E196 PolarHBondContact O-N 2.92Å |
| 197 | T | 89.1 | Confident | 92.9 | Very high | 43 Ų | 43 | 70 Ų | 70 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | trans | -109.5 | 141.3 | -171.1 | -62.5 | 0 | 0 | 0 | 0 | 110.1 | M159 L192 L195 | M159-T197 HydrophobicContact CE-CG2 3.79Å; L192-T197 WeakPolarHBondContact CD2-O 3.36Å; L192-T197 PolarHBondContact O-N 3.34Å; L195-T197 PolarHBondContact O-N 3.08Å; L195-T197 PolarHBondContact O-OG1 2.98Å | ||
| 198 | N | 86 | Confident | 92.9 | Very high | 159 Ų | 159 | 70 Ų | 70 | 85% | 0.85 | 35% | 0.353 | S | S | * | . | trans | -102.2 | 145.3 | 172.4 | -67.7 | -50 | 0 | 0 | 0 | 110.7 | ||||
| 199 | V | 88.7 | Confident | 92.9 | Very high | 24 Ų | 24 | 72.9 Ų | 72.9 | 15% | 0.145 | 38% | 0.375 | C | S | . | . | trans | -123.4 | 128.1 | 178.2 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | M159 R162 Q163 L192 | M159-V199 HydrophobicContact CE-CG2 4.22Å; M159-V199 HydrophobicContact CG-CG2 4.28Å; R162-V199 HydrophobicContact CB-CG1 3.25Å; R162-V199 HydrophobicContact CG-CG1 4.15Å; Q163-V199 HydrophobicContact CG-CG2 4.24Å; L192-V199 HydrophobicContact CD2-CB 4.37Å; L192-V199 HydrophobicContact CD2-CG2 3.53Å | ||
| 200 | Q | 88.8 | Confident | 93 | Very high | 174 Ų | 174 | 67.2 Ų | 67.2 | 81% | 0.813 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 139.7 | -177.8 | -66.3 | -177.1 | 2.6 | 0 | 0 | 111.8 | R162 | R162-Q200 PolarHBondContact NH2-O 2.9Š|
| 201 | S | 88.9 | Confident | 93.1 | Very high | 103 Ų | 103 | 63.2 Ų | 63.2 | 72% | 0.72 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 136.5 | 174.5 | -53.1 | 0 | 0 | 0 | 0 | 111 | ||
| 202 | V | 93 | Very high | 93.1 | Very high | 34 Ų | 34 | 63.2 Ų | 63.2 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 132.4 | 177.6 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | P167 D206 F207 | P167-V202 HydrophobicContact CB-CG1 4.08Å; P167-V202 HydrophobicContact CB-CG2 3.87Å; P167-V202 HydrophobicContact CG-CG1 3.74Å; P167-V202 HydrophobicContact CG-CG2 4.24Å; V202-D206 HydrophobicContact CG1-CB 4.4Å; V202-D206 WeakPolarHBondContact CG1-OD2 3.38Å; V202-F207 HydrophobicContact CG1-CD2 4.33Å; V202-F207 HydrophobicContact CG1-CE1 4.34Å; V202-F207 HydrophobicContact CG1-CE2 3.31Å; V202-F207 HydrophobicContact CG1-CZ 3.33Å |
| 203 | T | 93.3 | Very high | 93.2 | Very high | 64 Ų | 64 | 63.2 Ų | 63.2 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -98.3 | 169.2 | 177.4 | 79.7 | 0 | 0 | 0 | 0 | 111.1 | E205 D206 F207 | T203-E205 VanDerWaalsContact C-N 3.29Å; T203-E205 PolarHBondContact OG1-N 2.78Å; T203-D206 PolarHBondContact N-OD2 3.44Å; T203-D206 PolarHBondContact OG1-N 3.33Å; T203-D206 PolarHBondContact OG1-OD1 3.35Å; T203-D206 PolarHBondContact OG1-OD2 3.3Å; T203-F207 WeakPolarHBondContact O-CD2 3.44Å |
| 204 | V | 94.4 | Very high | 93.2 | Very high | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -70.1 | -32.8 | 175 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | D206 F207 M208 A229 L233 P243 V246 A247 | V204-D206 VanDerWaalsContact C-N 3.28Å; V204-D206 PolarHBondContact O-N 2.96Å; V204-F207 PolarHBondContact O-N 2.99Å; V204-M208 HydrophobicContact CG1-CE 3.43Å; V204-M208 VanDerWaalsContact CG1-CE 3.43Å; V204-M208 WeakPolarHBondContact O-CG 3.45Å; V204-A229 HydrophobicContact CB-CB 4.36Å; V204-A229 HydrophobicContact CG1-CB 3.48Å; V204-A229 VanDerWaalsContact CG1-CB 3.48Å; V204-L233 HydrophobicContact CB-CD1 4.47Å; V204-L233 HydrophobicContact CG2-CD1 3.81Å; V204-P243 HydrophobicContact CG2-CB 3.95Å; V204-V246 HydrophobicContact CG2-CB 4Å; V204-V246 HydrophobicContact CG2-CG1 3.99Å; V204-A247 HydrophobicContact CG1-CB 3.75Å |
| 205 | E | 94.2 | Very high | 93.4 | Very high | 82 Ų | 82 | 57.9 Ų | 57.9 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.9 | -33.7 | -174.7 | -54.9 | -175.5 | -175.5 | 0 | 0 | 111.4 | T203 F207 M208 R230 | T203-E205 VanDerWaalsContact C-N 3.29Å; T203-E205 PolarHBondContact OG1-N 2.78Å; E205-F207 PolarHBondContact O-N 2.97Å; E205-M208 PolarHBondContact O-N 3.46Å; E205-M208 VanDerWaalsContact O-N 3.1Å; E205-R230 IonicContact OE1-CZ 3.3Å; E205-R230 IonicContact OE1-NE 3.88Å; E205-R230 PolarHBondContact OE1-NE 2.96Å; E205-R230 IonicContact OE1-NH2 3.3Å; E205-R230 PolarHBondContact OE1-NH2 3.03Å; E205-R230 IonicContact OE2-NH2 2.68Å; E205-R230 PolarHBondContact OE2-NH2 3.03Å |
| 206 | D | 94.7 | Very high | 93.5 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 29% | 0.289 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.5 | -24.6 | 178.9 | -56.1 | -18.6 | 0 | 0 | 0 | 113.5 | P167 V202 T203 V204 | P167-D206 HydrophobicContact CG-CB 3.41Å; P167-D206 VanDerWaalsContact CG-CB 3.41Å; P167-D206 WeakPolarHBondContact CG-OD2 3.4Å; V202-D206 HydrophobicContact CG1-CB 4.4Å; V202-D206 WeakPolarHBondContact CG1-OD2 3.38Å; T203-D206 PolarHBondContact N-OD2 3.44Å; T203-D206 PolarHBondContact OG1-N 3.33Å; T203-D206 PolarHBondContact OG1-OD1 3.35Å; T203-D206 PolarHBondContact OG1-OD2 3.3Å; V204-D206 VanDerWaalsContact C-N 3.28Å; V204-D206 PolarHBondContact O-N 2.96Å |
| 207 | F | 95.6 | Very high | 93.7 | Very high | 6 Ų | 6 | 55.7 Ų | 55.7 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -100 | -21 | -177.8 | -59.1 | -65 | 0 | 0 | 0 | 113.9 | T169 V202 T203 V204 E205 S209 R210 F211 P243 V244 A247 | T169-F207 HydrophobicContact CG2-CD1 4.16Å; T169-F207 HydrophobicContact CG2-CE1 3.52Å; T169-F207 HydrophobicContact CG2-CZ 3.97Å; V202-F207 HydrophobicContact CG1-CD2 4.33Å; V202-F207 HydrophobicContact CG1-CE1 4.34Å; V202-F207 HydrophobicContact CG1-CE2 3.31Å; V202-F207 HydrophobicContact CG1-CZ 3.33Å; T203-F207 WeakPolarHBondContact O-CD2 3.44Å; V204-F207 PolarHBondContact O-N 2.99Å; E205-F207 PolarHBondContact O-N 2.97Å; F207-S209 PolarHBondContact O-N 2.91Å; F207-R210 PolarHBondContact O-N 3.07Å; F207-F211 HydrophobicContact CB-CD2 3.76Å; F207-F211 HydrophobicContact CB-CE1 4.45Å; F207-F211 HydrophobicContact CB-CE2 3.5Å; F207-F211 VanDerWaalsContact CB-CE2 3.5Å; F207-F211 HydrophobicContact CB-CG 4.36Å; F207-F211 HydrophobicContact CB-CZ 3.86Å; F207-F211 HydrophobicContact CD1-CE1 4.46Å; F207-F211 HydrophobicContact CD1-CE2 4.32Å; F207-F211 AromaticContact CD1-CZ 3.89Å; F207-F211 HydrophobicContact CD1-CZ 3.89Å; F207-F211 AromaticContact CG-CE2 3.98Å; F207-F211 HydrophobicContact CG-CE2 3.98Å; F207-F211 HydrophobicContact CG-CZ 4.04Å; F207-F211 WeakPolarHBondContact O-CB 3.49Å; F207-F211 WeakPolarHBondContact O-CG 3.48Å; F207-F211 PolarHBondContact O-N 3.12Å; F207-P243 HydrophobicContact CE2-CB 4.3Å; F207-V244 HydrophobicContact CD2-CG2 4.4Å; F207-V244 HydrophobicContact CE1-CG2 4.44Å; F207-V244 HydrophobicContact CE2-CG2 3.78Å; F207-V244 HydrophobicContact CZ-CG2 3.78Å; F207-A247 HydrophobicContact CB-CB 4.38Å |
| 208 | M | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | -165.9 | -76.9 | -77.3 | -174.8 | 0 | 0 | 112.7 | V204 E205 C212 Q222 A225 N226 A229 A247 A250 I251 | V204-M208 HydrophobicContact CG1-CE 3.43Å; V204-M208 VanDerWaalsContact CG1-CE 3.43Å; V204-M208 WeakPolarHBondContact O-CG 3.45Å; E205-M208 PolarHBondContact O-N 3.46Å; E205-M208 VanDerWaalsContact O-N 3.1Å; M208-C212 WeakPolarHBondContact O-CB 3.42Å; M208-C212 PolarHBondContact O-N 3.11Å; M208-C212 PolarHBondContact O-SG 2.94Å; M208-Q222 HydrophobicContact CB-CG 4.47Å; M208-A225 HydrophobicContact CE-CB 4.24Å; M208-A225 WeakPolarHBondContact CE-O 3.33Å; M208-A225 HydrophobicContact SD-CB 3.79Å; M208-N226 WeakPolarHBondContact CB-ND2 3.33Å; M208-N226 WeakPolarHBondContact CB-OD1 3.39Å; M208-N226 VanDerWaalsContact CG-OD1 3.25Å; M208-N226 WeakPolarHBondContact CG-OD1 3.44Å; M208-A229 HydrophobicContact CE-CB 3.56Å; M208-A247 HydrophobicContact CE-CB 4.15Å; M208-A250 HydrophobicContact CE-CB 4.02Å; M208-I251 HydrophobicContact CE-CG1 4.49Å; M208-I251 HydrophobicContact SD-CD1 3.96Å; M208-I251 HydrophobicContact SD-CG1 3.7Å |
| 209 | S | 95.8 | Very high | 94.3 | Very high | 74 Ų | 74 | 54 Ų | 54 | 52% | 0.517 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 178.9 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | F207 G213 | F207-S209 PolarHBondContact O-N 2.91Å; S209-G213 PolarHBondContact O-N 3.18Å |
| 210 | R | 95.5 | Very high | 94.6 | Very high | 39 Ų | 39 | 55.1 Ų | 55.1 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.8 | -46.9 | -178.7 | -174.4 | 166.8 | 71.1 | -120.4 | 8.1 | 112.1 | P167 R168 E172 F207 G213 N214 | P167-R210 PolarHBondContact O-NH1 2.9Å; P167-R210 PolarHBondContact O-NH2 2.74Å; R168-R210 VanDerWaalsContact CD-CZ 3.48Å; E172-R210 VanDerWaalsContact CD-NH2 3.3Å; E172-R210 IonicContact OE1-CZ 2.59Å; E172-R210 IonicContact OE1-NE 3.9Å; E172-R210 PolarHBondContact OE1-NE 3.04Å; E172-R210 IonicContact OE1-NH2 2.64Å; E172-R210 PolarHBondContact OE1-NH2 3.39Å; E172-R210 IonicContact OE2-CZ 2.73Å; E172-R210 IonicContact OE2-NE 3.33Å; E172-R210 IonicContact OE2-NH2 3.61Å; E172-R210 PolarHBondContact OE2-NH2 3.31Å; F207-R210 PolarHBondContact O-N 3.07Å; R210-G213 PolarHBondContact O-N 3.25Å; R210-N214 WeakPolarHBondContact O-CB 3.26Å; R210-N214 PolarHBondContact O-N 3.26Å; R210-N214 PolarHBondContact O-OD1 3.17Å |
| 211 | F | 97.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.3 | -42.5 | -179.3 | -65.7 | -12 | 0 | 0 | 0 | 111.8 | T169 F207 N214 L215 V244 A247 I251 V270 A271 | T169-F211 HydrophobicContact CG2-CZ 4.34Å; F207-F211 HydrophobicContact CB-CD2 3.76Å; F207-F211 HydrophobicContact CB-CE1 4.45Å; F207-F211 HydrophobicContact CB-CE2 3.5Å; F207-F211 VanDerWaalsContact CB-CE2 3.5Å; F207-F211 HydrophobicContact CB-CG 4.36Å; F207-F211 HydrophobicContact CB-CZ 3.86Å; F207-F211 HydrophobicContact CD1-CE1 4.46Å; F207-F211 HydrophobicContact CD1-CE2 4.32Å; F207-F211 AromaticContact CD1-CZ 3.89Å; F207-F211 HydrophobicContact CD1-CZ 3.89Å; F207-F211 AromaticContact CG-CE2 3.98Å; F207-F211 HydrophobicContact CG-CE2 3.98Å; F207-F211 HydrophobicContact CG-CZ 4.04Å; F207-F211 WeakPolarHBondContact O-CB 3.49Å; F207-F211 WeakPolarHBondContact O-CG 3.48Å; F207-F211 PolarHBondContact O-N 3.12Å; F211-N214 PolarHBondContact O-N 2.92Å; F211-L215 WeakPolarHBondContact O-CB 3.46Å; F211-L215 WeakPolarHBondContact O-CD1 3.39Å; F211-L215 VanDerWaalsContact O-CG 3.27Å; F211-L215 WeakPolarHBondContact O-CG 3.47Å; F211-L215 PolarHBondContact O-N 2.87Å; F211-L215 VanDerWaalsContact O-N 3.07Å; F211-V244 HydrophobicContact CE2-CG1 4.05Å; F211-V244 HydrophobicContact CZ-CG1 4.09Å; F211-A247 HydrophobicContact CD2-CB 4.26Å; F211-A247 HydrophobicContact CE2-CB 4.27Å; F211-I251 HydrophobicContact CB-CD1 3.51Å; F211-I251 HydrophobicContact CD2-CD1 4.13Å; F211-I251 HydrophobicContact CG-CD1 4.36Å; F211-V270 HydrophobicContact CB-CG1 4.27Å; F211-V270 HydrophobicContact CD1-CG1 3.95Å; F211-V270 HydrophobicContact CG-CG1 4.35Å; F211-A271 HydrophobicContact CD2-CB 4.13Å; F211-A271 HydrophobicContact CE2-CB 3.77Å; F211-A271 HydrophobicContact CZ-CB 4.04Å |
| 212 | C | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 176.1 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | M208 L215 N216 L217 Q222 | M208-C212 WeakPolarHBondContact O-CB 3.42Å; M208-C212 PolarHBondContact O-N 3.11Å; M208-C212 PolarHBondContact O-SG 2.94Å; C212-L215 CarbonylContact O-C 3.05Å; C212-L215 PolarHBondContact O-N 2.93Å; C212-N216 PolarHBondContact O-N 3.41Å; C212-L217 HydrophobicContact CB-CB 4.17Å; C212-L217 PolarHBondContact O-N 3.22Å; C212-Q222 HydrophobicContact CB-CB 3.97Å; C212-Q222 HydrophobicContact CB-CG 4.2Å |
| 213 | G | 96.1 | Very high | 95.4 | Very high | 41 Ų | 41 | 51.2 Ų | 51.2 | 42% | 0.423 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.9 | -49 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S209 R210 L215 N216 | S209-G213 PolarHBondContact O-N 3.18Å; R210-G213 PolarHBondContact O-N 3.25Å; G213-L215 PolarHBondContact O-N 3.36Å; G213-N216 PolarHBondContact O-N 3.04Å |
| 214 | N | 95 | Very high | 95.5 | Very high | 99 Ų | 99 | 48.3 Ų | 48.3 | 53% | 0.529 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.5 | -24.9 | 178.2 | -72.7 | 5.6 | 0 | 0 | 0 | 113.4 | R210 F211 N216 V270 | R210-N214 WeakPolarHBondContact O-CB 3.26Å; R210-N214 PolarHBondContact O-N 3.26Å; R210-N214 PolarHBondContact O-OD1 3.17Å; F211-N214 PolarHBondContact O-N 2.92Å; N214-N216 VanDerWaalsContact C-N 3.33Å; N214-V270 HydrophobicContact CB-CG1 3.64Å; N214-V270 HydrophobicContact CB-CG2 4.22Å |
| 215 | L | 96.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 0.4 | 174.7 | -69.9 | 165.9 | 0 | 0 | 0 | 113.2 | F211 C212 G213 L217 I251 K262 E266 I267 V270 | F211-L215 WeakPolarHBondContact O-CB 3.46Å; F211-L215 WeakPolarHBondContact O-CD1 3.39Å; F211-L215 VanDerWaalsContact O-CG 3.27Å; F211-L215 WeakPolarHBondContact O-CG 3.47Å; F211-L215 PolarHBondContact O-N 2.87Å; F211-L215 VanDerWaalsContact O-N 3.07Å; C212-L215 CarbonylContact O-C 3.05Å; C212-L215 PolarHBondContact O-N 2.93Å; G213-L215 PolarHBondContact O-N 3.36Å; L215-L217 HydrophobicContact CB-CD1 3.82Å; L215-L217 HydrophobicContact CB-CG 3.78Å; L215-L217 HydrophobicContact CD1-CD1 3.96Å; L215-L217 PolarHBondContact O-N 3.42Å; L215-I251 HydrophobicContact CD1-CG2 3.77Å; L215-K262 WeakPolarHBondContact O-CE 3.43Å; L215-K262 PolarHBondContact O-NZ 3.07Å; L215-E266 HydrophobicContact CD2-CG 3.92Å; L215-I267 HydrophobicContact CD1-CG1 3.95Å; L215-I267 HydrophobicContact CD1-CG2 4.5Å; L215-I267 HydrophobicContact CD2-CG1 4.22Å; L215-V270 HydrophobicContact CD2-CB 4.39Å; L215-V270 HydrophobicContact CD2-CG2 3.82Å; L215-V270 HydrophobicContact CG-CB 4.42Å; L215-V270 HydrophobicContact CG-CG1 4.45Å; L215-V270 HydrophobicContact CG-CG2 4.11Å |
| 216 | N | 95.9 | Very high | 95.7 | Very high | 146 Ų | 146 | 45.5 Ų | 45.5 | 78% | 0.781 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 37 | -173.1 | -59.4 | -57.6 | 0 | 0 | 0 | 113 | C212 G213 N214 | C212-N216 PolarHBondContact O-N 3.41Å; G213-N216 PolarHBondContact O-N 3.04Å; N214-N216 VanDerWaalsContact C-N 3.33Å |
| 217 | L | 95.6 | Very high | 95.8 | Very high | 17 Ų | 17 | 45 Ų | 45 | 9% | 0.089 | 25% | 0.245 | C | C | . | . | trans | -86.3 | 143.9 | 176.8 | -65 | 172.1 | 0 | 0 | 0 | 110.3 | C212 L215 V221 I251 A255 K262 | C212-L217 HydrophobicContact CB-CB 4.17Å; C212-L217 PolarHBondContact O-N 3.22Å; L215-L217 HydrophobicContact CB-CD1 3.82Å; L215-L217 HydrophobicContact CB-CG 3.78Å; L215-L217 HydrophobicContact CD1-CD1 3.96Å; L215-L217 PolarHBondContact O-N 3.42Å; L217-V221 HydrophobicContact CB-CB 4.24Å; L217-V221 HydrophobicContact CB-CG1 4.17Å; L217-V221 HydrophobicContact CD1-CG1 3.91Å; L217-V221 HydrophobicContact CD2-CG1 4.33Å; L217-V221 HydrophobicContact CG-CG1 4.37Å; L217-I251 HydrophobicContact CD1-CG2 3.54Å; L217-A255 HydrophobicContact CD1-CB 4.26Å; L217-A255 HydrophobicContact CD2-CB 4.14Å; L217-K262 HydrophobicContact CD2-CG 4.04Å | ||
| 218 | N | 93.5 | Very high | 95.8 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | trans | -70.3 | 163.9 | 179.3 | 72.9 | 8.9 | 0 | 0 | 0 | 111.8 | A220 V221 Q222 Y260 | N218-A220 PolarHBondContact O-N 3.01Å; N218-A220 PolarHBondContact OD1-N 3.44Å; N218-V221 PolarHBondContact O-N 3.39Å; N218-V221 WeakPolarHBondContact OD1-CB 3.39Å; N218-V221 WeakPolarHBondContact OD1-CG2 3.32Å; N218-V221 PolarHBondContact OD1-N 3.27Å; N218-Q222 PolarHBondContact O-N 3.49Å; N218-Y260 WeakPolarHBondContact ND2-CE2 3.38Å; N218-Y260 PolarHBondContact ND2-OH 3.36Å | ||
| 219 | I | 94.9 | Very high | 95.8 | Very high | 114 Ų | 114 | 44.9 Ų | 44.9 | 59% | 0.585 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.2 | -29.3 | 179.6 | -62.7 | 168.9 | 0 | 0 | 0 | 111.4 | Q222 R223 | I219-Q222 PolarHBondContact O-N 2.96Å; I219-R223 HydrophobicContact CG2-CG 4.34Å; I219-R223 WeakPolarHBondContact O-CG 3.19Å; I219-R223 PolarHBondContact O-N 3.02Å |
| 220 | A | 94.2 | Very high | 95.8 | Very high | 48 Ų | 48 | 47.2 Ų | 47.2 | 40% | 0.397 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.8 | -45.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N218 Q222 R223 V224 | N218-A220 PolarHBondContact O-N 3.01Å; N218-A220 PolarHBondContact OD1-N 3.44Å; A220-Q222 VanDerWaalsContact C-N 3.34Å; A220-Q222 PolarHBondContact O-N 3.37Å; A220-R223 PolarHBondContact O-N 3.36Å; A220-V224 WeakPolarHBondContact O-CG2 3.43Å; A220-V224 PolarHBondContact O-N 3.12Å |
| 221 | V | 95.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 175 | 175 | 0 | 0 | 0 | 0 | 110.5 | L217 N218 R223 V224 A225 A254 A255 L258 Y260 | L217-V221 HydrophobicContact CB-CB 4.24Å; L217-V221 HydrophobicContact CB-CG1 4.17Å; L217-V221 HydrophobicContact CD1-CG1 3.91Å; L217-V221 HydrophobicContact CD2-CG1 4.33Å; L217-V221 HydrophobicContact CG-CG1 4.37Å; N218-V221 PolarHBondContact O-N 3.39Å; N218-V221 WeakPolarHBondContact OD1-CB 3.39Å; N218-V221 WeakPolarHBondContact OD1-CG2 3.32Å; N218-V221 PolarHBondContact OD1-N 3.27Å; V221-R223 PolarHBondContact O-N 3.08Å; V221-V224 PolarHBondContact O-N 3.18Å; V221-A225 VanDerWaalsContact O-CB 3.23Å; V221-A225 WeakPolarHBondContact O-CB 3.48Å; V221-A225 PolarHBondContact O-N 3.12Å; V221-A254 HydrophobicContact CG1-CB 4.24Å; V221-A255 HydrophobicContact CG1-CB 3.99Å; V221-L258 HydrophobicContact CB-CD1 4.07Å; V221-L258 HydrophobicContact CG2-CB 4.04Å; V221-L258 HydrophobicContact CG2-CD1 3.49Å; V221-L258 VanDerWaalsContact CG2-CD1 3.49Å; V221-L258 HydrophobicContact CG2-CG 4.43Å; V221-Y260 HydrophobicContact CG2-CD2 3.51Å; V221-Y260 HydrophobicContact CG2-CE2 4.22Å; V221-Y260 HydrophobicContact CG2-CG 4.06Å |
| 222 | Q | 96.3 | Very high | 95.8 | Very high | 48 Ų | 48 | 49 Ų | 49 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 175.9 | -178.2 | -173.5 | -29.4 | 0 | 0 | 112.1 | M208 C212 N218 I219 A220 A225 N226 | M208-Q222 HydrophobicContact CB-CG 4.47Å; C212-Q222 HydrophobicContact CB-CB 3.97Å; C212-Q222 HydrophobicContact CB-CG 4.2Å; N218-Q222 PolarHBondContact O-N 3.49Å; I219-Q222 PolarHBondContact O-N 2.96Å; A220-Q222 VanDerWaalsContact C-N 3.34Å; A220-Q222 PolarHBondContact O-N 3.37Å; Q222-A225 PolarHBondContact O-N 2.82Å; Q222-N226 PolarHBondContact O-N 3.3Å; Q222-N226 PolarHBondContact O-ND2 2.91Å |
| 223 | R | 95.9 | Very high | 95.6 | Very high | 180 Ų | 180 | 52.6 Ų | 52.6 | 68% | 0.679 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.1 | -47.4 | 178.3 | -75.4 | 178 | -179.7 | -171.3 | 1 | 111.4 | I219 A220 V221 N226 V227 | I219-R223 HydrophobicContact CG2-CG 4.34Å; I219-R223 WeakPolarHBondContact O-CG 3.19Å; I219-R223 PolarHBondContact O-N 3.02Å; A220-R223 PolarHBondContact O-N 3.36Å; V221-R223 PolarHBondContact O-N 3.08Å; R223-N226 PolarHBondContact O-N 3.32Å; R223-V227 WeakPolarHBondContact O-CG2 3.29Å; R223-V227 PolarHBondContact O-N 2.93Å; R223-V227 VanDerWaalsContact O-N 3.15Å |
| 224 | V | 95.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 177.6 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | A220 V221 N226 V227 V228 A254 L258 F293 P294 V297 | A220-V224 WeakPolarHBondContact O-CG2 3.43Å; A220-V224 PolarHBondContact O-N 3.12Å; V221-V224 PolarHBondContact O-N 3.18Å; V224-N226 VanDerWaalsContact C-N 3.31Å; V224-N226 PolarHBondContact O-N 2.84Å; V224-V227 PolarHBondContact O-N 3.18Å; V224-V227 VanDerWaalsContact O-N 3.15Å; V224-V228 HydrophobicContact CG1-CG2 4.07Å; V224-V228 WeakPolarHBondContact O-CB 3.46Å; V224-V228 VanDerWaalsContact O-CG2 3.29Å; V224-V228 WeakPolarHBondContact O-CG2 3.49Å; V224-V228 PolarHBondContact O-N 3.5Å; V224-A254 HydrophobicContact CB-CB 4.13Å; V224-A254 HydrophobicContact CG1-CB 3.77Å; V224-L258 HydrophobicContact CB-CD1 4.18Å; V224-L258 HydrophobicContact CG2-CD1 3.98Å; V224-F293 HydrophobicContact CG1-CD1 3.66Å; V224-F293 HydrophobicContact CG1-CE1 3.87Å; V224-P294 HydrophobicContact CG1-CG 4.41Å; V224-P294 HydrophobicContact CG2-CG 4.05Å; V224-V297 HydrophobicContact CG2-CB 4.38Å; V224-V297 HydrophobicContact CG2-CG1 3.94Å; V224-V297 HydrophobicContact CG2-CG2 3.97Å |
| 225 | A | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -39.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | M208 V221 Q222 A229 I251 A254 | M208-A225 HydrophobicContact CE-CB 4.24Å; M208-A225 WeakPolarHBondContact CE-O 3.33Å; M208-A225 HydrophobicContact SD-CB 3.79Å; V221-A225 VanDerWaalsContact O-CB 3.23Å; V221-A225 WeakPolarHBondContact O-CB 3.48Å; V221-A225 PolarHBondContact O-N 3.12Å; Q222-A225 PolarHBondContact O-N 2.82Å; A225-A229 VanDerWaalsContact O-CB 3.31Å; A225-A229 WeakPolarHBondContact O-CB 3.49Å; A225-A229 PolarHBondContact O-N 3.38Å; A225-I251 HydrophobicContact CB-CG1 4.01Å; A225-A254 HydrophobicContact CB-CB 3.81Å |
| 226 | N | 96.2 | Very high | 95.4 | Very high | 29 Ų | 29 | 60.2 Ų | 60.2 | 16% | 0.155 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 173.6 | -85.6 | -69 | 0 | 0 | 0 | 111.9 | M208 Q222 R223 V224 A229 R230 | M208-N226 WeakPolarHBondContact CB-ND2 3.33Å; M208-N226 WeakPolarHBondContact CB-OD1 3.39Å; M208-N226 VanDerWaalsContact CG-OD1 3.25Å; M208-N226 WeakPolarHBondContact CG-OD1 3.44Å; Q222-N226 PolarHBondContact O-N 3.3Å; Q222-N226 PolarHBondContact O-ND2 2.91Å; R223-N226 PolarHBondContact O-N 3.32Å; V224-N226 VanDerWaalsContact C-N 3.31Å; V224-N226 PolarHBondContact O-N 2.84Å; N226-A229 PolarHBondContact O-N 3.07Å; N226-R230 WeakPolarHBondContact O-CB 3.41Å; N226-R230 PolarHBondContact O-N 3.14Å |
| 227 | V | 96 | Very high | 95.2 | Very high | 45 Ų | 45 | 55 Ų | 55 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 179 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | R223 V224 A229 R230 R231 P294 | R223-V227 WeakPolarHBondContact O-CG2 3.29Å; R223-V227 PolarHBondContact O-N 2.93Å; R223-V227 VanDerWaalsContact O-N 3.15Å; V224-V227 PolarHBondContact O-N 3.18Å; V224-V227 VanDerWaalsContact O-N 3.15Å; V227-A229 VanDerWaalsContact C-N 3.35Å; V227-A229 PolarHBondContact O-N 3.3Å; V227-R230 PolarHBondContact O-N 2.74Å; V227-R231 HydrophobicContact CG1-CG 4.27Å; V227-R231 WeakPolarHBondContact O-CB 3.11Å; V227-R231 WeakPolarHBondContact O-CG 3.36Å; V227-R231 PolarHBondContact O-N 3.2Å; V227-P294 HydrophobicContact CG1-CB 4.31Å; V227-P294 HydrophobicContact CG1-CG 4.47Å |
| 228 | V | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.1 | -48 | 177.6 | 167.6 | 0 | 0 | 0 | 0 | 110.6 | V224 R231 A232 A250 M253 L292 F293 | V224-V228 HydrophobicContact CG1-CG2 4.07Å; V224-V228 WeakPolarHBondContact O-CB 3.46Å; V224-V228 VanDerWaalsContact O-CG2 3.29Å; V224-V228 WeakPolarHBondContact O-CG2 3.49Å; V224-V228 PolarHBondContact O-N 3.5Å; V228-R231 PolarHBondContact O-N 3.22Å; V228-A232 VanDerWaalsContact O-CB 3.3Å; V228-A232 WeakPolarHBondContact O-CB 3.43Å; V228-A232 PolarHBondContact O-N 3.38Å; V228-A250 HydrophobicContact CB-CB 4.42Å; V228-A250 HydrophobicContact CG1-CB 3.97Å; V228-M253 HydrophobicContact CG1-CG 4.42Å; V228-M253 HydrophobicContact CG1-SD 3.78Å; V228-L292 HydrophobicContact CG1-CB 4.17Å; V228-L292 HydrophobicContact CG1-CD1 4.31Å; V228-L292 HydrophobicContact CG2-CB 4.32Å; V228-L292 WeakPolarHBondContact CG2-O 3.23Å; V228-F293 HydrophobicContact CG2-CD1 3.93Å; V228-F293 HydrophobicContact CG2-CE1 4.01Å; V228-F293 HydrophobicContact CG2-CG 4.45Å |
| 229 | A | 96.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 2% | 0.017 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V204 M208 A225 N226 V227 A232 L233 V246 A250 | V204-A229 HydrophobicContact CB-CB 4.36Å; V204-A229 HydrophobicContact CG1-CB 3.48Å; V204-A229 VanDerWaalsContact CG1-CB 3.48Å; M208-A229 HydrophobicContact CE-CB 3.56Å; A225-A229 VanDerWaalsContact O-CB 3.31Å; A225-A229 WeakPolarHBondContact O-CB 3.49Å; A225-A229 PolarHBondContact O-N 3.38Å; N226-A229 PolarHBondContact O-N 3.07Å; V227-A229 VanDerWaalsContact C-N 3.35Å; V227-A229 PolarHBondContact O-N 3.3Å; A229-A232 PolarHBondContact O-N 2.77Å; A229-L233 WeakPolarHBondContact O-CG 3.4Å; A229-L233 PolarHBondContact O-N 3.24Å; A229-V246 HydrophobicContact CB-CG1 4.31Å; A229-A250 HydrophobicContact CB-CB 3.76Å |
| 230 | R | 95.4 | Very high | 94.7 | Very high | 123 Ų | 123 | 54.2 Ų | 54.2 | 46% | 0.464 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 179.7 | -169.9 | -177 | -66.7 | 174.5 | -2.9 | 111.2 | E205 N226 V227 L233 N234 | E205-R230 IonicContact OE1-CZ 3.3Å; E205-R230 IonicContact OE1-NE 3.88Å; E205-R230 PolarHBondContact OE1-NE 2.96Å; E205-R230 IonicContact OE1-NH2 3.3Å; E205-R230 PolarHBondContact OE1-NH2 3.03Å; E205-R230 IonicContact OE2-NH2 2.68Å; E205-R230 PolarHBondContact OE2-NH2 3.03Å; N226-R230 WeakPolarHBondContact O-CB 3.41Å; N226-R230 PolarHBondContact O-N 3.14Å; V227-R230 PolarHBondContact O-N 2.74Å; R230-L233 PolarHBondContact O-N 2.91Å; R230-N234 VanDerWaalsContact O-CG 3.23Å; R230-N234 PolarHBondContact O-N 3.25Å |
| 231 | R | 95.7 | Very high | 94.7 | Very high | 79 Ų | 79 | 57.3 Ų | 57.3 | 30% | 0.298 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 176.1 | -70.5 | -170.6 | -175 | -179.3 | 4.5 | 112 | V227 V228 L233 N234 L235 E291 L292 F293 | V227-R231 HydrophobicContact CG1-CG 4.27Å; V227-R231 WeakPolarHBondContact O-CB 3.11Å; V227-R231 WeakPolarHBondContact O-CG 3.36Å; V227-R231 PolarHBondContact O-N 3.2Å; V228-R231 PolarHBondContact O-N 3.22Å; R231-L233 VanDerWaalsContact C-N 3.28Å; R231-L233 PolarHBondContact O-N 3.22Å; R231-N234 PolarHBondContact O-N 3.5Å; R231-L235 WeakPolarHBondContact O-CB 3.13Å; R231-L235 WeakPolarHBondContact O-CG 3.41Å; R231-L235 PolarHBondContact O-N 2.94Å; R231-E291 VanDerWaalsContact CD-O 3.26Å; R231-E291 WeakPolarHBondContact CD-O 3.35Å; R231-E291 PolarHBondContact NH1-O 3.18Å; R231-L292 HydrophobicContact CB-CD2 3.74Å; R231-L292 WeakPolarHBondContact CD-O 3.48Å; R231-F293 PolarHBondContact NH1-O 3.15Å |
| 232 | A | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V228 A229 N236 L237 V238 M285 L292 | V228-A232 VanDerWaalsContact O-CB 3.3Å; V228-A232 WeakPolarHBondContact O-CB 3.43Å; V228-A232 PolarHBondContact O-N 3.38Å; A229-A232 PolarHBondContact O-N 2.77Å; A232-N236 PolarHBondContact O-N 3.18Å; A232-L237 PolarHBondContact O-N 3.49Å; A232-V238 HydrophobicContact CB-CG2 4.24Å; A232-M285 HydrophobicContact CB-CG 3.86Å; A232-M285 HydrophobicContact CB-SD 3.63Å; A232-L292 HydrophobicContact CB-CD1 4.42Å; A232-L292 HydrophobicContact CB-CD2 4.04Å |
| 233 | L | 94.2 | Very high | 94.5 | Very high | 76 Ų | 76 | 60 Ų | 60 | 40% | 0.398 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.4 | -47.8 | 172.7 | -72.3 | 168.8 | 0 | 0 | 0 | 111.7 | V204 A229 R230 R231 L235 N236 V238 | V204-L233 HydrophobicContact CB-CD1 4.47Å; V204-L233 HydrophobicContact CG2-CD1 3.81Å; A229-L233 WeakPolarHBondContact O-CG 3.4Å; A229-L233 PolarHBondContact O-N 3.24Å; R230-L233 PolarHBondContact O-N 2.91Å; R231-L233 VanDerWaalsContact C-N 3.28Å; R231-L233 PolarHBondContact O-N 3.22Å; L233-L235 VanDerWaalsContact C-N 3.29Å; L233-L235 PolarHBondContact O-N 2.78Å; L233-N236 PolarHBondContact O-N 3.13Å; L233-V238 HydrophobicContact CD2-CG2 3.9Å; L233-V238 HydrophobicContact CG-CG2 4.34Å |
| 234 | N | 94.2 | Very high | 94.5 | Very high | 120 Ų | 120 | 52.6 Ų | 52.6 | 64% | 0.642 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63 | -35.3 | -179.6 | -70.3 | -11 | 0 | 0 | 0 | 112.8 | R230 R231 N236 | R230-N234 VanDerWaalsContact O-CG 3.23Å; R230-N234 PolarHBondContact O-N 3.25Å; R231-N234 PolarHBondContact O-N 3.5Å; N234-N236 PolarHBondContact O-N 3.39Å |
| 235 | L | 94.3 | Very high | 94.5 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 29% | 0.293 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 4 | 175.6 | -65.3 | 177.4 | 0 | 0 | 0 | 113.2 | R231 L233 L237 E291 L292 | R231-L235 WeakPolarHBondContact O-CB 3.13Å; R231-L235 WeakPolarHBondContact O-CG 3.41Å; R231-L235 PolarHBondContact O-N 2.94Å; L233-L235 VanDerWaalsContact C-N 3.29Å; L233-L235 PolarHBondContact O-N 2.78Å; L235-L237 HydrophobicContact CB-CD1 4.18Å; L235-L237 HydrophobicContact CB-CD2 4.19Å; L235-L237 HydrophobicContact CB-CG 3.79Å; L235-L237 HydrophobicContact CD1-CD1 4.32Å; L235-L237 PolarHBondContact O-N 2.91Å; L235-L237 VanDerWaalsContact O-N 3.15Å; L235-E291 HydrophobicContact CD1-CB 4.26Å; L235-L292 HydrophobicContact CD1-CD2 4.01Å |
| 236 | N | 93.4 | Very high | 94.6 | Very high | 125 Ų | 125 | 52.5 Ų | 52.5 | 67% | 0.668 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 25.2 | -178.7 | -69.4 | -61.1 | 0 | 0 | 0 | 115.1 | A232 L233 N234 V238 | A232-N236 PolarHBondContact O-N 3.18Å; L233-N236 PolarHBondContact O-N 3.13Å; N234-N236 PolarHBondContact O-N 3.39Å; N236-V238 VanDerWaalsContact C-N 3.29Å; N236-V238 PolarHBondContact O-N 3.32Å |
| 237 | L | 93.5 | Very high | 94.6 | Very high | 37 Ų | 37 | 51.1 Ų | 51.1 | 19% | 0.194 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -26.9 | -177.3 | -53.9 | 179.8 | 0 | 0 | 0 | 112.9 | A232 L235 R288 L292 | A232-L237 PolarHBondContact O-N 3.49Å; L235-L237 HydrophobicContact CB-CD1 4.18Å; L235-L237 HydrophobicContact CB-CD2 4.19Å; L235-L237 HydrophobicContact CB-CG 3.79Å; L235-L237 HydrophobicContact CD1-CD1 4.32Å; L235-L237 PolarHBondContact O-N 2.91Å; L235-L237 VanDerWaalsContact O-N 3.15Å; L237-R288 HydrophobicContact CD1-CB 4.02Å; L237-R288 HydrophobicContact CD1-CG 4.46Å; L237-R288 HydrophobicContact CD2-CG 4.39Å; L237-L292 HydrophobicContact CD1-CD1 4.36Å; L237-L292 HydrophobicContact CD1-CD2 4.07Å |
| 238 | V | 92.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 28.3 | -174 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | A232 L233 N236 G240 R241 V246 T281 A284 M285 | A232-V238 HydrophobicContact CB-CG2 4.24Å; L233-V238 HydrophobicContact CD2-CG2 3.9Å; L233-V238 HydrophobicContact CG-CG2 4.34Å; N236-V238 VanDerWaalsContact C-N 3.29Å; N236-V238 PolarHBondContact O-N 3.32Å; V238-G240 PolarHBondContact O-N 3.1Å; V238-R241 HydrophobicContact CB-CB 4.36Å; V238-R241 HydrophobicContact CB-CG 4.23Å; V238-R241 VanDerWaalsContact O-CB 3.31Å; V238-R241 WeakPolarHBondContact O-CB 3.37Å; V238-R241 WeakPolarHBondContact O-CG 3.5Å; V238-R241 PolarHBondContact O-N 2.85Å; V238-R241 VanDerWaalsContact O-N 3.1Å; V238-V246 HydrophobicContact CB-CG2 3.8Å; V238-V246 HydrophobicContact CG1-CG2 4.41Å; V238-V246 HydrophobicContact CG2-CB 4.46Å; V238-V246 HydrophobicContact CG2-CG1 3.93Å; V238-V246 HydrophobicContact CG2-CG2 3.62Å; V238-T281 HydrophobicContact CB-CG2 4.45Å; V238-T281 HydrophobicContact CG1-CG2 3.76Å; V238-A284 HydrophobicContact CG1-CB 4.47Å; V238-M285 HydrophobicContact CG1-CG 3.64Å; V238-M285 HydrophobicContact CG1-SD 4.13Å |
| 239 | A | 90.2 | Very high | 94.7 | Very high | 71 Ų | 71 | 49 Ų | 49 | 59% | 0.587 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 132.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R241 | A239-R241 PolarHBondContact O-N 3.5Š|
| 240 | G | 91.1 | Very high | 94.8 | Very high | 91 Ų | 91 | 48.9 Ų | 48.9 | 94% | 0.938 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | -4.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | V238 | V238-G240 PolarHBondContact O-N 3.1Š|
| 241 | R | 92.7 | Very high | 94.9 | Very high | 113 Ų | 113 | 43 Ų | 43 | 43% | 0.426 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -78.6 | 153.3 | 173.5 | -56.8 | -64.5 | 178.8 | 161.9 | 0.8 | 110.5 | V238 A239 V246 C280 | V238-R241 HydrophobicContact CB-CB 4.36Å; V238-R241 HydrophobicContact CB-CG 4.23Å; V238-R241 VanDerWaalsContact O-CB 3.31Å; V238-R241 WeakPolarHBondContact O-CB 3.37Å; V238-R241 WeakPolarHBondContact O-CG 3.5Å; V238-R241 PolarHBondContact O-N 2.85Å; V238-R241 VanDerWaalsContact O-N 3.1Å; A239-R241 PolarHBondContact O-N 3.5Å; R241-V246 HydrophobicContact CB-CG2 4.04Å; R241-C280 VanDerWaalsContact CZ-SG 3.58Å; R241-C280 PolarHBondContact NH1-SG 3Å; R241-C280 VanDerWaalsContact NH1-SG 3.37Å; R241-C280 PolarHBondContact NH2-SG 3.33Å |
| 242 | S | 93.3 | Very high | 94.9 | Very high | 57 Ų | 57 | 40.4 Ų | 40.4 | 40% | 0.399 | 25% | 0.245 | S | C | . | . | trans | -71.3 | 142.7 | 179.2 | 75.6 | 0 | 0 | 0 | 0 | 110.5 | V244 S245 V246 | S242-V244 PolarHBondContact O-N 3.39Å; S242-V244 VanDerWaalsContact O-N 3.13Å; S242-S245 PolarHBondContact N-OG 3.4Å; S242-S245 PolarHBondContact O-N 3.48Å; S242-S245 PolarHBondContact O-OG 2.77Å; S242-S245 WeakPolarHBondContact OG-CB 3.34Å; S242-S245 PolarHBondContact OG-N 3.23Å; S242-S245 PolarHBondContact OG-OG 2.9Å; S242-S245 VanDerWaalsContact OG-OG 3.14Å; S242-V246 PolarHBondContact O-N 3.02Å | ||
| 243 | P | 95.1 | Very high | 94.9 | Very high | 49 Ų | 49 | 40.4 Ų | 40.4 | 32% | 0.318 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -53.3 | -36.1 | 176.7 | -29.1 | 35.3 | 0 | 0 | 0 | 113.2 | V204 F207 S245 V246 A247 | V204-P243 HydrophobicContact CG2-CB 3.95Å; F207-P243 HydrophobicContact CE2-CB 4.3Å; P243-S245 PolarHBondContact O-N 3.32Å; P243-V246 PolarHBondContact O-N 3.25Å; P243-A247 WeakPolarHBondContact O-CB 3.39Å; P243-A247 PolarHBondContact O-N 2.94Å |
| 244 | V | 96.2 | Very high | 95 | Very high | 23 Ų | 23 | 36.8 Ų | 36.8 | 14% | 0.139 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 175.6 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | T169 F207 F211 S242 A247 A248 A271 | T169-V244 HydrophobicContact CG2-CG1 4.19Å; T169-V244 HydrophobicContact CG2-CG2 3.65Å; F207-V244 HydrophobicContact CD2-CG2 4.4Å; F207-V244 HydrophobicContact CE1-CG2 4.44Å; F207-V244 HydrophobicContact CE2-CG2 3.78Å; F207-V244 HydrophobicContact CZ-CG2 3.78Å; F211-V244 HydrophobicContact CE2-CG1 4.05Å; F211-V244 HydrophobicContact CZ-CG1 4.09Å; S242-V244 PolarHBondContact O-N 3.39Å; S242-V244 VanDerWaalsContact O-N 3.13Å; V244-A247 PolarHBondContact O-N 3.44Å; V244-A248 WeakPolarHBondContact O-CB 3.27Å; V244-A248 PolarHBondContact O-N 2.96Å; V244-A271 HydrophobicContact CG1-CB 4.23Å; V244-A271 VanDerWaalsContact CG1-O 3.28Å; V244-A271 WeakPolarHBondContact CG1-O 3.29Å |
| 245 | S | 96.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.3 | -34.9 | 178.4 | 66.2 | 0 | 0 | 0 | 0 | 112.9 | S242 P243 A249 | S242-S245 PolarHBondContact N-OG 3.4Å; S242-S245 PolarHBondContact O-N 3.48Å; S242-S245 PolarHBondContact O-OG 2.77Å; S242-S245 WeakPolarHBondContact OG-CB 3.34Å; S242-S245 PolarHBondContact OG-N 3.23Å; S242-S245 PolarHBondContact OG-OG 2.9Å; S242-S245 VanDerWaalsContact OG-OG 3.14Å; P243-S245 PolarHBondContact O-N 3.32Å; S245-A249 WeakPolarHBondContact O-CB 3.39Å; S245-A249 PolarHBondContact O-N 2.98Å; S245-A249 VanDerWaalsContact O-N 3.08Å |
| 246 | V | 97.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.8 | -44.7 | 173.7 | 179.4 | 0 | 0 | 0 | 0 | 110 | V204 A229 V238 R241 S242 P243 A248 A249 A250 T281 | V204-V246 HydrophobicContact CG2-CB 4Å; V204-V246 HydrophobicContact CG2-CG1 3.99Å; A229-V246 HydrophobicContact CB-CG1 4.31Å; V238-V246 HydrophobicContact CB-CG2 3.8Å; V238-V246 HydrophobicContact CG1-CG2 4.41Å; V238-V246 HydrophobicContact CG2-CB 4.46Å; V238-V246 HydrophobicContact CG2-CG1 3.93Å; V238-V246 HydrophobicContact CG2-CG2 3.62Å; R241-V246 HydrophobicContact CB-CG2 4.04Å; S242-V246 PolarHBondContact O-N 3.02Å; P243-V246 PolarHBondContact O-N 3.25Å; V246-A248 PolarHBondContact O-N 2.8Å; V246-A249 PolarHBondContact O-N 3.37Å; V246-A250 VanDerWaalsContact O-CB 3.27Å; V246-A250 WeakPolarHBondContact O-CB 3.46Å; V246-A250 PolarHBondContact O-N 3.36Å; V246-T281 HydrophobicContact CG2-CG2 4.23Å |
| 247 | A | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.9 | -52.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V204 F207 M208 F211 P243 V244 A249 A250 I251 | V204-A247 HydrophobicContact CG1-CB 3.75Å; F207-A247 HydrophobicContact CB-CB 4.38Å; M208-A247 HydrophobicContact CE-CB 4.15Å; F211-A247 HydrophobicContact CD2-CB 4.26Å; F211-A247 HydrophobicContact CE2-CB 4.27Å; P243-A247 WeakPolarHBondContact O-CB 3.39Å; P243-A247 PolarHBondContact O-N 2.94Å; V244-A247 PolarHBondContact O-N 3.44Å; A247-A249 PolarHBondContact O-N 3.21Å; A247-A250 PolarHBondContact O-N 3.26Å; A247-I251 WeakPolarHBondContact O-CB 3.42Å; A247-I251 VanDerWaalsContact O-CG1 3.25Å; A247-I251 WeakPolarHBondContact O-CG1 3.31Å; A247-I251 PolarHBondContact O-N 3.28Å |
| 248 | A | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.4 | -44.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V244 V246 Y252 I267 A271 I278 | V244-A248 WeakPolarHBondContact O-CB 3.27Å; V244-A248 PolarHBondContact O-N 2.96Å; V246-A248 PolarHBondContact O-N 2.8Å; A248-Y252 PolarHBondContact O-N 3.18Å; A248-I267 HydrophobicContact CB-CG2 3.87Å; A248-A271 HydrophobicContact CB-CB 3.92Å; A248-I278 HydrophobicContact CB-CD1 4.04Å; A248-I278 HydrophobicContact CB-CG1 3.93Å |
| 249 | A | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.6 | -34.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S245 V246 A247 Y252 M253 I278 T281 M285 | S245-A249 WeakPolarHBondContact O-CB 3.39Å; S245-A249 PolarHBondContact O-N 2.98Å; S245-A249 VanDerWaalsContact O-N 3.08Å; V246-A249 PolarHBondContact O-N 3.37Å; A247-A249 PolarHBondContact O-N 3.21Å; A249-Y252 PolarHBondContact O-N 2.93Å; A249-M253 WeakPolarHBondContact O-CB 3.48Å; A249-M253 PolarHBondContact O-N 3.41Å; A249-I278 HydrophobicContact CB-CG2 4.37Å; A249-T281 HydrophobicContact CB-CG2 3.79Å; A249-M285 VanDerWaalsContact C-CE 3.46Å; A249-M285 HydrophobicContact CB-CE 3.23Å |
| 250 | A | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70 | -38.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M208 V228 A229 V246 A247 M253 A254 | M208-A250 HydrophobicContact CE-CB 4.02Å; V228-A250 HydrophobicContact CB-CB 4.42Å; V228-A250 HydrophobicContact CG1-CB 3.97Å; A229-A250 HydrophobicContact CB-CB 3.76Å; V246-A250 VanDerWaalsContact O-CB 3.27Å; V246-A250 WeakPolarHBondContact O-CB 3.46Å; V246-A250 PolarHBondContact O-N 3.36Å; A247-A250 PolarHBondContact O-N 3.26Å; A250-M253 PolarHBondContact O-N 3.23Å; A250-A254 VanDerWaalsContact O-CB 3.32Å; A250-A254 WeakPolarHBondContact O-CB 3.39Å; A250-A254 PolarHBondContact O-N 3.25Å |
| 251 | I | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 171.7 | -69.1 | 167.8 | 0 | 0 | 0 | 110.1 | M208 F211 L215 L217 A225 A247 M253 A254 A255 I267 | M208-I251 HydrophobicContact CE-CG1 4.49Å; M208-I251 HydrophobicContact SD-CD1 3.96Å; M208-I251 HydrophobicContact SD-CG1 3.7Å; F211-I251 HydrophobicContact CB-CD1 3.51Å; F211-I251 HydrophobicContact CD2-CD1 4.13Å; F211-I251 HydrophobicContact CG-CD1 4.36Å; L215-I251 HydrophobicContact CD1-CG2 3.77Å; L217-I251 HydrophobicContact CD1-CG2 3.54Å; A225-I251 HydrophobicContact CB-CG1 4.01Å; A247-I251 WeakPolarHBondContact O-CB 3.42Å; A247-I251 VanDerWaalsContact O-CG1 3.25Å; A247-I251 WeakPolarHBondContact O-CG1 3.31Å; A247-I251 PolarHBondContact O-N 3.28Å; I251-M253 VanDerWaalsContact C-N 3.34Å; I251-M253 PolarHBondContact O-N 2.94Å; I251-A254 PolarHBondContact O-N 3.22Å; I251-A255 WeakPolarHBondContact O-CB 3.49Å; I251-A255 PolarHBondContact O-N 2.71Å; I251-I267 HydrophobicContact CG2-CD1 4.43Å |
| 252 | Y | 97 | Very high | 95.3 | Very high | 23 Ų | 23 | 28.4 Ų | 28.4 | 9% | 0.09 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.8 | -48 | 176.7 | 178.8 | -108.7 | 0 | 0 | 0 | 111.8 | A248 A249 Y256 K262 K264 I267 Y282 | A248-Y252 PolarHBondContact O-N 3.18Å; A249-Y252 PolarHBondContact O-N 2.93Å; Y252-Y256 WeakPolarHBondContact O-CB 3.42Å; Y252-Y256 PolarHBondContact O-N 2.91Å; Y252-K262 WeakPolarHBondContact CE2-O 3.2Å; Y252-K264 HydrophobicContact CD2-CG 3.94Å; Y252-K264 HydrophobicContact CE1-CG 4.25Å; Y252-K264 HydrophobicContact CE2-CG 3.58Å; Y252-K264 HydrophobicContact CG-CG 4.41Å; Y252-K264 VanDerWaalsContact CZ-CE 3.46Å; Y252-K264 WeakPolarHBondContact OH-CE 3.45Å; Y252-I267 HydrophobicContact CD2-CD1 3.71Å; Y252-I267 HydrophobicContact CG-CD1 4.11Å; Y252-Y282 AromaticContact CD1-CD2 3.55Å; Y252-Y282 HydrophobicContact CD1-CD2 3.55Å; Y252-Y282 AromaticContact CD1-CE2 3.67Å; Y252-Y282 HydrophobicContact CD1-CE2 3.67Å; Y252-Y282 AromaticContact CD1-CG 3.98Å; Y252-Y282 HydrophobicContact CD1-CG 3.98Å; Y252-Y282 HydrophobicContact CE1-CD1 4.27Å; Y252-Y282 HydrophobicContact CE1-CD2 4.01Å; Y252-Y282 HydrophobicContact CE1-CE1 4.12Å; Y252-Y282 AromaticContact CE1-CE2 3.84Å; Y252-Y282 HydrophobicContact CE1-CE2 3.84Å; Y252-Y282 HydrophobicContact CE1-CG 4.19Å; Y252-Y282 AromaticContact CE1-CZ 3.89Å |
| 253 | M | 95.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.4 | -48.3 | 179.1 | -177.9 | 172.3 | -75 | 0 | 0 | 112.3 | V228 A249 A250 I251 A257 Y282 M285 L292 F293 L306 | V228-M253 HydrophobicContact CG1-CG 4.42Å; V228-M253 HydrophobicContact CG1-SD 3.78Å; A249-M253 WeakPolarHBondContact O-CB 3.48Å; A249-M253 PolarHBondContact O-N 3.41Å; A250-M253 PolarHBondContact O-N 3.23Å; I251-M253 VanDerWaalsContact C-N 3.34Å; I251-M253 PolarHBondContact O-N 2.94Å; M253-A257 WeakPolarHBondContact O-CB 3.27Å; M253-A257 PolarHBondContact O-N 3.49Å; M253-Y282 HydrophobicContact CB-CD2 4.14Å; M253-Y282 HydrophobicContact CB-CE2 3.85Å; M253-Y282 HydrophobicContact CE-CD2 3.78Å; M253-Y282 HydrophobicContact CE-CE2 3.54Å; M253-Y282 HydrophobicContact CG-CE2 4.17Å; M253-M285 HydrophobicContact CE-CB 3.61Å; M253-M285 HydrophobicContact SD-CB 4.39Å; M253-L292 HydrophobicContact SD-CD1 3.99Å; M253-F293 HydrophobicContact CG-CE1 4.45Å; M253-F293 HydrophobicContact CG-CE2 4.07Å; M253-F293 HydrophobicContact CG-CZ 3.56Å; M253-F293 HydrophobicContact SD-CE2 4.27Å; M253-F293 HydrophobicContact SD-CZ 4.27Å; M253-L306 HydrophobicContact CG-CD1 4.21Å |
| 254 | A | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.2 | -43 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V221 V224 A225 A250 I251 Y256 A257 L258 | V221-A254 HydrophobicContact CG1-CB 4.24Å; V224-A254 HydrophobicContact CB-CB 4.13Å; V224-A254 HydrophobicContact CG1-CB 3.77Å; A225-A254 HydrophobicContact CB-CB 3.81Å; A250-A254 VanDerWaalsContact O-CB 3.32Å; A250-A254 WeakPolarHBondContact O-CB 3.39Å; A250-A254 PolarHBondContact O-N 3.25Å; I251-A254 PolarHBondContact O-N 3.22Å; A254-Y256 VanDerWaalsContact C-N 3.35Å; A254-A257 PolarHBondContact O-N 3.07Å; A254-L258 WeakPolarHBondContact O-CB 3.46Å; A254-L258 PolarHBondContact O-N 3.03Å |
| 255 | A | 96 | Very high | 95.4 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.9 | -41.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L217 V221 I251 G259 Y260 | L217-A255 HydrophobicContact CD1-CB 4.26Å; L217-A255 HydrophobicContact CD2-CB 4.14Å; V221-A255 HydrophobicContact CG1-CB 3.99Å; I251-A255 WeakPolarHBondContact O-CB 3.49Å; I251-A255 PolarHBondContact O-N 2.71Å; A255-G259 PolarHBondContact O-N 3.19Å; A255-Y260 WeakPolarHBondContact CB-O 3.28Å; A255-Y260 CarbonylContact O-C 3.49Å; A255-Y260 VanDerWaalsContact O-C 3.3Å; A255-Y260 WeakPolarHBondContact O-CA 3.39Å; A255-Y260 PolarHBondContact O-N 3.04Å |
| 256 | Y | 95.2 | Very high | 95.4 | Very high | 47 Ų | 47 | 41.3 Ų | 41.3 | 18% | 0.184 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -47.6 | 175.2 | -162.3 | -78.7 | 0 | 0 | 0 | 111.9 | Y252 A254 L258 G259 R261 I301 L306 P307 | Y252-Y256 WeakPolarHBondContact O-CB 3.42Å; Y252-Y256 PolarHBondContact O-N 2.91Å; A254-Y256 VanDerWaalsContact C-N 3.35Å; Y256-L258 VanDerWaalsContact C-N 3.3Å; Y256-L258 PolarHBondContact O-N 3.28Å; Y256-G259 PolarHBondContact O-N 2.89Å; Y256-G259 VanDerWaalsContact O-N 3.17Å; Y256-R261 HydrophobicContact CD2-CG 4.2Å; Y256-R261 HydrophobicContact CE2-CG 4.37Å; Y256-I301 HydrophobicContact CD1-CD1 3.73Å; Y256-I301 HydrophobicContact CE1-CD1 3.38Å; Y256-I301 HydrophobicContact CE1-CG2 4.4Å; Y256-L306 HydrophobicContact CD1-CD2 3.47Å; Y256-L306 VanDerWaalsContact CD1-CD2 3.47Å; Y256-L306 HydrophobicContact CE1-CD2 4.16Å; Y256-L306 HydrophobicContact CG-CD2 4.31Å; Y256-P307 HydrophobicContact CD1-CG 4.33Å; Y256-P307 HydrophobicContact CD2-CG 4.08Å; Y256-P307 HydrophobicContact CE1-CG 3.89Å; Y256-P307 HydrophobicContact CE2-CG 3.63Å; Y256-P307 HydrophobicContact CG-CG 4.4Å |
| 257 | A | 94.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -29.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M253 A254 F293 L299 A300 I301 L306 | M253-A257 WeakPolarHBondContact O-CB 3.27Å; M253-A257 PolarHBondContact O-N 3.49Å; A254-A257 PolarHBondContact O-N 3.07Å; A257-F293 HydrophobicContact CB-CD1 4.49Å; A257-F293 HydrophobicContact CB-CE1 3.5Å; A257-F293 HydrophobicContact CB-CE2 4.38Å; A257-F293 HydrophobicContact CB-CZ 3.42Å; A257-F293 VanDerWaalsContact CB-CZ 3.42Å; A257-L299 HydrophobicContact CB-CD2 4.06Å; A257-A300 WeakPolarHBondContact O-CA 3.43Å; A257-A300 WeakPolarHBondContact O-CB 3.36Å; A257-A300 PolarHBondContact O-N 2.8Å; A257-I301 PolarHBondContact O-N 3.41Å; A257-I301 VanDerWaalsContact O-N 3.11Å; A257-L306 HydrophobicContact CB-CD2 4.24Å |
| 258 | L | 94.3 | Very high | 95.3 | Very high | 27 Ų | 27 | 41.6 Ų | 41.6 | 14% | 0.141 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 2 | 177.6 | -70.1 | 170.2 | 0 | 0 | 0 | 114 | V221 V224 A254 Y256 Y260 V297 L299 | V221-L258 HydrophobicContact CB-CD1 4.07Å; V221-L258 HydrophobicContact CG2-CB 4.04Å; V221-L258 HydrophobicContact CG2-CD1 3.49Å; V221-L258 VanDerWaalsContact CG2-CD1 3.49Å; V221-L258 HydrophobicContact CG2-CG 4.43Å; V224-L258 HydrophobicContact CB-CD1 4.18Å; V224-L258 HydrophobicContact CG2-CD1 3.98Å; A254-L258 WeakPolarHBondContact O-CB 3.46Å; A254-L258 PolarHBondContact O-N 3.03Å; Y256-L258 VanDerWaalsContact C-N 3.3Å; Y256-L258 PolarHBondContact O-N 3.28Å; L258-Y260 VanDerWaalsContact C-N 3.34Å; L258-Y260 HydrophobicContact CB-CD2 3.95Å; L258-Y260 HydrophobicContact CB-CE2 4.43Å; L258-Y260 WeakPolarHBondContact O-CD2 3.34Å; L258-V297 HydrophobicContact CD2-CG1 3.77Å; L258-L299 HydrophobicContact CD2-CD2 4.21Å |
| 259 | G | 92.6 | Very high | 95.2 | Very high | 44 Ų | 44 | 47.2 Ų | 47.2 | 45% | 0.454 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 2.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A255 Y256 R261 | A255-G259 PolarHBondContact O-N 3.19Å; Y256-G259 PolarHBondContact O-N 2.89Å; Y256-G259 VanDerWaalsContact O-N 3.17Å; G259-R261 VanDerWaalsContact C-N 3.28Å; G259-R261 PolarHBondContact O-N 3Å; G259-R261 VanDerWaalsContact O-N 3.17Å |
| 260 | Y | 92.8 | Very high | 95.1 | Very high | 114 Ų | 114 | 48.9 Ų | 48.9 | 45% | 0.447 | 23% | 0.227 | S | C | . | . | trans | -89.2 | 59.4 | 174.5 | -65.1 | -83.2 | 0 | 0 | 0 | 110.8 | N218 V221 A255 L258 K262 | N218-Y260 WeakPolarHBondContact ND2-CE2 3.38Å; N218-Y260 PolarHBondContact ND2-OH 3.36Å; V221-Y260 HydrophobicContact CG2-CD2 3.51Å; V221-Y260 HydrophobicContact CG2-CE2 4.22Å; V221-Y260 HydrophobicContact CG2-CG 4.06Å; A255-Y260 WeakPolarHBondContact CB-O 3.28Å; A255-Y260 CarbonylContact O-C 3.49Å; A255-Y260 VanDerWaalsContact O-C 3.3Å; A255-Y260 WeakPolarHBondContact O-CA 3.39Å; A255-Y260 PolarHBondContact O-N 3.04Å; L258-Y260 VanDerWaalsContact C-N 3.34Å; L258-Y260 HydrophobicContact CB-CD2 3.95Å; L258-Y260 HydrophobicContact CB-CE2 4.43Å; L258-Y260 WeakPolarHBondContact O-CD2 3.34Å; Y260-K262 PolarHBondContact O-N 2.84Å | ||
| 261 | R | 90.2 | Very high | 95 | Very high | 163 Ų | 163 | 49 Ų | 49 | 62% | 0.615 | 23% | 0.228 | S | C | * | . | trans | -58.4 | 132.7 | -171.2 | -64.1 | -178 | -178.9 | 166.8 | 1.1 | 111.8 | Y256 G259 | Y256-R261 HydrophobicContact CD2-CG 4.2Å; Y256-R261 HydrophobicContact CE2-CG 4.37Å; G259-R261 VanDerWaalsContact C-N 3.28Å; G259-R261 PolarHBondContact O-N 3Å; G259-R261 VanDerWaalsContact O-N 3.17Å | ||
| 262 | K | 93.8 | Very high | 94.8 | Very high | 46 Ų | 46 | 50 Ų | 50 | 20% | 0.2 | 24% | 0.238 | C | C | . | . | trans | -130.3 | 142.6 | 176.2 | -69.6 | -68.8 | -177.5 | 171.6 | 0 | 109.5 | L215 L217 Y252 Y260 E266 I267 | L215-K262 WeakPolarHBondContact O-CE 3.43Å; L215-K262 PolarHBondContact O-NZ 3.07Å; L217-K262 HydrophobicContact CD2-CG 4.04Å; Y252-K262 WeakPolarHBondContact CE2-O 3.2Å; Y260-K262 PolarHBondContact O-N 2.84Å; K262-E266 WeakPolarHBondContact CD-OE1 3.18Å; K262-E266 WeakPolarHBondContact CD-OE2 3.39Å; K262-E266 IonicContact NZ-OE1 2.71Å; K262-E266 PolarHBondContact NZ-OE1 2.71Å; K262-E266 IonicContact NZ-OE2 2.8Å; K262-I267 HydrophobicContact CB-CD1 3.99Å; K262-I267 HydrophobicContact CB-CG1 4.02Å | ||
| 263 | E | 94.6 | Very high | 94.7 | Very high | 139 Ų | 139 | 49.9 Ų | 49.9 | 65% | 0.65 | 24% | 0.24 | S | C | * | . | trans | -71.7 | 145.5 | 176.3 | -66.3 | -171.1 | 172.3 | 0 | 0 | 110.5 | R265 E266 I267 | E263-R265 PolarHBondContact O-N 2.96Å; E263-E266 HydrophobicContact CB-CB 4.28Å; E263-E266 WeakPolarHBondContact O-CB 3.42Å; E263-E266 PolarHBondContact O-N 3.26Å; E263-E266 VanDerWaalsContact O-N 3.12Å; E263-I267 PolarHBondContact O-N 2.88Å; E263-I267 VanDerWaalsContact O-N 3.1Å | ||
| 264 | K | 95.2 | Very high | 94.7 | Very high | 28 Ų | 28 | 52.5 Ų | 52.5 | 12% | 0.122 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.7 | -33.2 | 176.9 | -63.9 | 176.3 | -178.6 | 171.1 | 0 | 111.3 | Y252 G268 E275 I278 T279 | Y252-K264 HydrophobicContact CD2-CG 3.94Å; Y252-K264 HydrophobicContact CE1-CG 4.25Å; Y252-K264 HydrophobicContact CE2-CG 3.58Å; Y252-K264 HydrophobicContact CG-CG 4.41Å; Y252-K264 VanDerWaalsContact CZ-CE 3.46Å; Y252-K264 WeakPolarHBondContact OH-CE 3.45Å; K264-G268 PolarHBondContact O-N 3.02Å; K264-E275 HydrophobicContact CB-CG 3.77Å; K264-E275 HydrophobicContact CD-CG 4.31Å; K264-I278 WeakPolarHBondContact O-CD1 2.98Å; K264-T279 WeakPolarHBondContact CD-OG1 3.44Å; K264-T279 PolarHBondContact NZ-OG1 3.36Å |
| 265 | R | 95.8 | Very high | 94.6 | Very high | 164 Ų | 164 | 57.2 Ų | 57.2 | 62% | 0.619 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62 | -49.8 | 173.4 | -178 | 179.3 | 173.4 | 174.3 | -1.1 | 111.9 | E263 I267 G268 D269 | E263-R265 PolarHBondContact O-N 2.96Å; R265-I267 VanDerWaalsContact C-N 3.32Å; R265-I267 PolarHBondContact O-N 3.29Å; R265-G268 CarbonylContact O-C 3.52Å; R265-G268 WeakPolarHBondContact O-CA 3.45Å; R265-G268 PolarHBondContact O-N 2.96Å; R265-D269 VanDerWaalsContact O-CG 3.3Å; R265-D269 PolarHBondContact O-N 3.27Å |
| 266 | E | 96.5 | Very high | 94.7 | Very high | 71 Ų | 71 | 60.8 Ų | 60.8 | 33% | 0.332 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 178.7 | -169.6 | -172.4 | 168.2 | 0 | 0 | 111.6 | L215 K262 E263 G268 D269 V270 | L215-E266 HydrophobicContact CD2-CG 3.92Å; K262-E266 WeakPolarHBondContact CD-OE1 3.18Å; K262-E266 WeakPolarHBondContact CD-OE2 3.39Å; K262-E266 IonicContact NZ-OE1 2.71Å; K262-E266 PolarHBondContact NZ-OE1 2.71Å; K262-E266 IonicContact NZ-OE2 2.8Å; E263-E266 HydrophobicContact CB-CB 4.28Å; E263-E266 WeakPolarHBondContact O-CB 3.42Å; E263-E266 PolarHBondContact O-N 3.26Å; E263-E266 VanDerWaalsContact O-N 3.12Å; E266-G268 VanDerWaalsContact C-N 3.33Å; E266-G268 PolarHBondContact O-N 3.45Å; E266-D269 PolarHBondContact O-N 3.32Å; E266-V270 PolarHBondContact O-N 3.49Å |
| 267 | I | 96.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 174.6 | -60.7 | 175.3 | 0 | 0 | 0 | 111 | L215 A248 I251 Y252 K262 E263 R265 D269 V270 A271 I278 | L215-I267 HydrophobicContact CD1-CG1 3.95Å; L215-I267 HydrophobicContact CD1-CG2 4.5Å; L215-I267 HydrophobicContact CD2-CG1 4.22Å; A248-I267 HydrophobicContact CB-CG2 3.87Å; I251-I267 HydrophobicContact CG2-CD1 4.43Å; Y252-I267 HydrophobicContact CD2-CD1 3.71Å; Y252-I267 HydrophobicContact CG-CD1 4.11Å; K262-I267 HydrophobicContact CB-CD1 3.99Å; K262-I267 HydrophobicContact CB-CG1 4.02Å; E263-I267 PolarHBondContact O-N 2.88Å; E263-I267 VanDerWaalsContact O-N 3.1Å; R265-I267 VanDerWaalsContact C-N 3.32Å; R265-I267 PolarHBondContact O-N 3.29Å; I267-D269 VanDerWaalsContact C-N 3.34Å; I267-V270 PolarHBondContact O-N 3.42Å; I267-A271 VanDerWaalsContact O-CB 3.31Å; I267-A271 WeakPolarHBondContact O-CB 3.31Å; I267-A271 PolarHBondContact O-N 3.34Å; I267-I278 HydrophobicContact CB-CD1 4.28Å; I267-I278 HydrophobicContact CG2-CD1 4.06Å |
| 268 | G | 96.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.5 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K264 R265 E266 G272 C273 | K264-G268 PolarHBondContact O-N 3.02Å; R265-G268 CarbonylContact O-C 3.52Å; R265-G268 WeakPolarHBondContact O-CA 3.45Å; R265-G268 PolarHBondContact O-N 2.96Å; E266-G268 VanDerWaalsContact C-N 3.33Å; E266-G268 PolarHBondContact O-N 3.45Å; G268-G272 CarbonylContact O-C 3.59Å; G268-G272 WeakPolarHBondContact O-CA 3.25Å; G268-G272 PolarHBondContact O-N 2.86Å; G268-C273 CarbonylContact C-O 3.52Å; G268-C273 WeakPolarHBondContact CA-O 3.5Å; G268-C273 PolarHBondContact O-N 3.05Å |
| 269 | D | 95.2 | Very high | 94.8 | Very high | 119 Ų | 119 | 60.8 Ų | 60.8 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.8 | -41.7 | 178.4 | -68.5 | -22.7 | 0 | 0 | 0 | 111 | R265 E266 I267 | R265-D269 VanDerWaalsContact O-CG 3.3Å; R265-D269 PolarHBondContact O-N 3.27Å; E266-D269 PolarHBondContact O-N 3.32Å; I267-D269 VanDerWaalsContact C-N 3.34Å |
| 270 | V | 95.1 | Very high | 95 | Very high | 35 Ų | 35 | 61.1 Ų | 61.1 | 21% | 0.212 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.5 | -47.6 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 112.4 | F211 N214 L215 E266 I267 G272 | F211-V270 HydrophobicContact CB-CG1 4.27Å; F211-V270 HydrophobicContact CD1-CG1 3.95Å; F211-V270 HydrophobicContact CG-CG1 4.35Å; N214-V270 HydrophobicContact CB-CG1 3.64Å; N214-V270 HydrophobicContact CB-CG2 4.22Å; L215-V270 HydrophobicContact CD2-CB 4.39Å; L215-V270 HydrophobicContact CD2-CG2 3.82Å; L215-V270 HydrophobicContact CG-CB 4.42Å; L215-V270 HydrophobicContact CG-CG1 4.45Å; L215-V270 HydrophobicContact CG-CG2 4.11Å; E266-V270 PolarHBondContact O-N 3.49Å; I267-V270 PolarHBondContact O-N 3.42Å; V270-G272 VanDerWaalsContact C-N 3.3Å; V270-G272 PolarHBondContact O-N 3.22Å |
| 271 | A | 94.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -77.7 | -17.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | F211 V244 A248 I267 | F211-A271 HydrophobicContact CD2-CB 4.13Å; F211-A271 HydrophobicContact CE2-CB 3.77Å; F211-A271 HydrophobicContact CZ-CB 4.04Å; V244-A271 HydrophobicContact CG1-CB 4.23Å; V244-A271 VanDerWaalsContact CG1-O 3.28Å; V244-A271 WeakPolarHBondContact CG1-O 3.29Å; A248-A271 HydrophobicContact CB-CB 3.92Å; I267-A271 VanDerWaalsContact O-CB 3.31Å; I267-A271 WeakPolarHBondContact O-CB 3.31Å; I267-A271 PolarHBondContact O-N 3.34Å |
| 272 | G | 93.5 | Very high | 95.4 | Very high | 21 Ų | 21 | 48 Ų | 48 | 22% | 0.216 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 37 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K171 G268 V270 | K171-G272 WeakPolarHBondContact CD-O 3.17Å; K171-G272 WeakPolarHBondContact CE-O 3.4Å; K171-G272 PolarHBondContact NZ-O 3.37Å; G268-G272 CarbonylContact O-C 3.59Å; G268-G272 WeakPolarHBondContact O-CA 3.25Å; G268-G272 PolarHBondContact O-N 2.86Å; V270-G272 VanDerWaalsContact C-N 3.3Å; V270-G272 PolarHBondContact O-N 3.22Å |
| 273 | C | 93.8 | Very high | 95.4 | Very high | 19 Ų | 19 | 53 Ų | 53 | 13% | 0.128 | 28% | 0.282 | C | S | . | . | trans | -111.9 | 145.5 | 174.6 | -74.5 | 0 | 0 | 0 | 0 | 110.7 | G268 I278 | G268-C273 CarbonylContact C-O 3.52Å; G268-C273 WeakPolarHBondContact CA-O 3.5Å; G268-C273 PolarHBondContact O-N 3.05Å; C273-I278 HydrophobicContact CB-CD1 4.26Å; C273-I278 HydrophobicContact CB-CG1 4.01Å | ||
| 274 | A | 95.4 | Very high | 95.4 | Very high | 55 Ų | 55 | 47.9 Ų | 47.9 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | trans | -69.3 | 143.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | A276 T277 I278 | A274-A276 PolarHBondContact O-N 3.08Å; A274-T277 WeakPolarHBondContact O-CA 3.31Å; A274-T277 VanDerWaalsContact O-CB 3.23Å; A274-T277 WeakPolarHBondContact O-CB 3.16Å; A274-T277 PolarHBondContact O-N 3.49Å; A274-I278 PolarHBondContact O-N 3.06Å; A274-I278 VanDerWaalsContact O-N 3.14Å | ||
| 275 | E | 95.6 | Very high | 95.4 | Very high | 100 Ų | 100 | 46.5 Ų | 46.5 | 47% | 0.467 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -54 | -39.2 | 177.5 | 174.3 | 171.5 | -172.1 | 0 | 0 | 112.5 | K264 T277 I278 T279 | K264-E275 HydrophobicContact CB-CG 3.77Å; K264-E275 HydrophobicContact CD-CG 4.31Å; E275-T277 VanDerWaalsContact C-N 3.25Å; E275-T277 PolarHBondContact O-N 3.19Å; E275-I278 PolarHBondContact O-N 3.34Å; E275-T279 WeakPolarHBondContact O-CB 3.22Å; E275-T279 PolarHBondContact O-N 3.39Å; E275-T279 PolarHBondContact O-OG1 2.68Å; E275-T279 VanDerWaalsContact O-OG1 3.05Å |
| 276 | A | 96.3 | Very high | 95.3 | Very high | 76 Ų | 76 | 40.6 Ų | 40.6 | 63% | 0.628 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -60.3 | -35.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | A274 C280 | A274-A276 PolarHBondContact O-N 3.08Å; A276-C280 VanDerWaalsContact O-CB 3.32Å; A276-C280 WeakPolarHBondContact O-CB 2.81Å; A276-C280 PolarHBondContact O-N 3.28Å |
| 277 | T | 95.9 | Very high | 95 | Very high | 54 Ų | 54 | 41.4 Ų | 41.4 | 33% | 0.331 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -68.9 | -44.4 | 176.1 | -52 | 0 | 0 | 0 | 0 | 110.8 | A274 E275 T279 C280 T281 | A274-T277 WeakPolarHBondContact O-CA 3.31Å; A274-T277 VanDerWaalsContact O-CB 3.23Å; A274-T277 WeakPolarHBondContact O-CB 3.16Å; A274-T277 PolarHBondContact O-N 3.49Å; E275-T277 VanDerWaalsContact C-N 3.25Å; E275-T277 PolarHBondContact O-N 3.19Å; T277-T279 VanDerWaalsContact C-N 3.34Å; T277-C280 PolarHBondContact O-N 2.89Å; T277-T281 PolarHBondContact O-N 3.02Å; T277-T281 PolarHBondContact O-OG1 3.2Å |
| 278 | I | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 176.3 | -62.4 | 174.1 | 0 | 0 | 0 | 109.7 | A248 A249 K264 I267 C273 A274 E275 C280 T281 Y282 | A248-I278 HydrophobicContact CB-CD1 4.04Å; A248-I278 HydrophobicContact CB-CG1 3.93Å; A249-I278 HydrophobicContact CB-CG2 4.37Å; K264-I278 WeakPolarHBondContact O-CD1 2.98Å; I267-I278 HydrophobicContact CB-CD1 4.28Å; I267-I278 HydrophobicContact CG2-CD1 4.06Å; C273-I278 HydrophobicContact CB-CD1 4.26Å; C273-I278 HydrophobicContact CB-CG1 4.01Å; A274-I278 PolarHBondContact O-N 3.06Å; A274-I278 VanDerWaalsContact O-N 3.14Å; E275-I278 PolarHBondContact O-N 3.34Å; I278-C280 PolarHBondContact O-N 3.4Å; I278-T281 PolarHBondContact O-N 2.81Å; I278-Y282 WeakPolarHBondContact O-CB 3.33Å; I278-Y282 PolarHBondContact O-N 3.33Å |
| 279 | T | 95.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 178.3 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | K264 E275 T277 Y282 R283 | K264-T279 WeakPolarHBondContact CD-OG1 3.44Å; K264-T279 PolarHBondContact NZ-OG1 3.36Å; E275-T279 WeakPolarHBondContact O-CB 3.22Å; E275-T279 PolarHBondContact O-N 3.39Å; E275-T279 PolarHBondContact O-OG1 2.68Å; E275-T279 VanDerWaalsContact O-OG1 3.05Å; T277-T279 VanDerWaalsContact C-N 3.34Å; T279-Y282 PolarHBondContact O-N 2.64Å; T279-R283 WeakPolarHBondContact O-CG 3.03Å; T279-R283 PolarHBondContact O-N 3.32Å |
| 280 | C | 95.3 | Very high | 94.5 | Very high | 51 Ų | 51 | 43.5 Ų | 43.5 | 35% | 0.345 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 179.3 | -171.3 | 0 | 0 | 0 | 0 | 112.1 | R241 A276 T277 I278 A284 | R241-C280 VanDerWaalsContact CZ-SG 3.58Å; R241-C280 PolarHBondContact NH1-SG 3Å; R241-C280 VanDerWaalsContact NH1-SG 3.37Å; R241-C280 PolarHBondContact NH2-SG 3.33Å; A276-C280 VanDerWaalsContact O-CB 3.32Å; A276-C280 WeakPolarHBondContact O-CB 2.81Å; A276-C280 PolarHBondContact O-N 3.28Å; T277-C280 PolarHBondContact O-N 2.89Å; I278-C280 PolarHBondContact O-N 3.4Å; C280-A284 PolarHBondContact O-N 3.34Å |
| 281 | T | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.2 | -37.8 | 177.3 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | V238 V246 A249 T277 I278 A284 M285 | V238-T281 HydrophobicContact CB-CG2 4.45Å; V238-T281 HydrophobicContact CG1-CG2 3.76Å; V246-T281 HydrophobicContact CG2-CG2 4.23Å; A249-T281 HydrophobicContact CB-CG2 3.79Å; T277-T281 PolarHBondContact O-N 3.02Å; T277-T281 PolarHBondContact O-OG1 3.2Å; I278-T281 PolarHBondContact O-N 2.81Å; T281-A284 WeakPolarHBondContact O-CB 3.48Å; T281-A284 PolarHBondContact O-N 3.5Å; T281-M285 HydrophobicContact CG2-CE 4.31Å; T281-M285 PolarHBondContact O-N 3.38Å |
| 282 | Y | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 176.1 | 174.8 | -101.9 | 0 | 0 | 0 | 112 | Y252 M253 I278 T279 A284 M285 H286 P307 | Y252-Y282 AromaticContact CD1-CD2 3.55Å; Y252-Y282 HydrophobicContact CD1-CD2 3.55Å; Y252-Y282 AromaticContact CD1-CE2 3.67Å; Y252-Y282 HydrophobicContact CD1-CE2 3.67Å; Y252-Y282 AromaticContact CD1-CG 3.98Å; Y252-Y282 HydrophobicContact CD1-CG 3.98Å; Y252-Y282 HydrophobicContact CE1-CD1 4.27Å; Y252-Y282 HydrophobicContact CE1-CD2 4.01Å; Y252-Y282 HydrophobicContact CE1-CE1 4.12Å; Y252-Y282 AromaticContact CE1-CE2 3.84Å; Y252-Y282 HydrophobicContact CE1-CE2 3.84Å; Y252-Y282 HydrophobicContact CE1-CG 4.19Å; Y252-Y282 AromaticContact CE1-CZ 3.89Å; M253-Y282 HydrophobicContact CB-CD2 4.14Å; M253-Y282 HydrophobicContact CB-CE2 3.85Å; M253-Y282 HydrophobicContact CE-CD2 3.78Å; M253-Y282 HydrophobicContact CE-CE2 3.54Å; M253-Y282 HydrophobicContact CG-CE2 4.17Å; I278-Y282 WeakPolarHBondContact O-CB 3.33Å; I278-Y282 PolarHBondContact O-N 3.33Å; T279-Y282 PolarHBondContact O-N 2.64Å; Y282-A284 VanDerWaalsContact C-N 3.26Å; Y282-A284 PolarHBondContact O-N 2.81Å; Y282-M285 CarbonylContact O-C 3.57Å; Y282-M285 PolarHBondContact O-N 3.43Å; Y282-H286 HydrophobicContact CE1-CB 4.36Å; Y282-H286 AromaticContact CE1-CD2 3.98Å; Y282-H286 AromaticContact CZ-CD2 3.92Å; Y282-H286 WeakPolarHBondContact O-CB 3.3Å; Y282-H286 PolarHBondContact O-N 3.33Å; Y282-P307 WeakPolarHBondContact CE1-O 3.26Å; Y282-P307 PolarHBondContact OH-O 3.36Å |
| 283 | R | 95.1 | Very high | 94.3 | Very high | 152 Ų | 152 | 45 Ų | 45 | 57% | 0.574 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -58.4 | -37.7 | 176.7 | -75.8 | 177.5 | -178.1 | 175.8 | 0.9 | 112.9 | T279 M285 H286 | T279-R283 WeakPolarHBondContact O-CG 3.03Å; T279-R283 PolarHBondContact O-N 3.32Å; R283-M285 VanDerWaalsContact C-N 3.32Å; R283-M285 PolarHBondContact O-N 3.41Å; R283-H286 PolarHBondContact O-N 3.41Å |
| 284 | A | 94.3 | Very high | 94.2 | Very high | 31 Ų | 31 | 44.7 Ų | 44.7 | 26% | 0.256 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V238 C280 T281 Y282 S287 | V238-A284 HydrophobicContact CG1-CB 4.47Å; C280-A284 PolarHBondContact O-N 3.34Å; T281-A284 WeakPolarHBondContact O-CB 3.48Å; T281-A284 PolarHBondContact O-N 3.5Å; Y282-A284 VanDerWaalsContact C-N 3.26Å; Y282-A284 PolarHBondContact O-N 2.81Å; A284-S287 PolarHBondContact O-OG 3.43Å |
| 285 | M | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -75.4 | -34.2 | 176.9 | -66.5 | -173.8 | -61.1 | 0 | 0 | 113.2 | A232 V238 A249 M253 T281 Y282 R283 S287 R288 A289 L292 | A232-M285 HydrophobicContact CB-CG 3.86Å; A232-M285 HydrophobicContact CB-SD 3.63Å; V238-M285 HydrophobicContact CG1-CG 3.64Å; V238-M285 HydrophobicContact CG1-SD 4.13Å; A249-M285 VanDerWaalsContact C-CE 3.46Å; A249-M285 HydrophobicContact CB-CE 3.23Å; M253-M285 HydrophobicContact CE-CB 3.61Å; M253-M285 HydrophobicContact SD-CB 4.39Å; T281-M285 HydrophobicContact CG2-CE 4.31Å; T281-M285 PolarHBondContact O-N 3.38Å; Y282-M285 CarbonylContact O-C 3.57Å; Y282-M285 PolarHBondContact O-N 3.43Å; R283-M285 VanDerWaalsContact C-N 3.32Å; R283-M285 PolarHBondContact O-N 3.41Å; M285-S287 PolarHBondContact O-N 2.82Å; M285-R288 CarbonylContact O-C 3.53Å; M285-R288 PolarHBondContact O-N 2.8Å; M285-R288 VanDerWaalsContact O-N 3.12Å; M285-A289 PolarHBondContact O-N 2.91Å; M285-L292 HydrophobicContact CB-CD1 3.68Å; M285-L292 HydrophobicContact CG-CD1 4.21Å; M285-L292 WeakPolarHBondContact O-CD1 3.36Å |
| 286 | H | 93.6 | Very high | 93.4 | Very high | 39 Ų | 39 | 53 Ų | 53 | 18% | 0.181 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.2 | -37 | -177.7 | -176.7 | -81.6 | 0 | 0 | 0 | 112 | Y282 R283 R288 A289 L306 P307 L308 | Y282-H286 HydrophobicContact CE1-CB 4.36Å; Y282-H286 AromaticContact CE1-CD2 3.98Å; Y282-H286 AromaticContact CZ-CD2 3.92Å; Y282-H286 WeakPolarHBondContact O-CB 3.3Å; Y282-H286 PolarHBondContact O-N 3.33Å; R283-H286 PolarHBondContact O-N 3.41Å; H286-R288 PolarHBondContact O-N 2.73Å; H286-A289 WeakPolarHBondContact O-CB 3.46Å; H286-A289 PolarHBondContact O-N 2.84Å; H286-L306 PolarHBondContact NE2-O 3.08Å; H286-P307 PolarHBondContact CD2-O 3.3Å; H286-P307 PolarHBondContact NE2-O 3.37Å; H286-L308 VanDerWaalsContact CE1-CD2 3.48Å; H286-L308 WeakPolarHBondContact CE1-CD2 3.46Å; H286-L308 WeakPolarHBondContact ND1-CD2 3.43Å |
| 287 | S | 90.3 | Very high | 92.9 | Very high | 89 Ų | 89 | 51.5 Ų | 51.5 | 62% | 0.622 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -24.9 | 177.4 | 67.2 | 0 | 0 | 0 | 0 | 115.3 | A284 M285 | A284-S287 PolarHBondContact O-OG 3.43Å; M285-S287 PolarHBondContact O-N 2.82Å |
| 288 | R | 92.8 | Very high | 92.6 | Very high | 88 Ų | 88 | 60.3 Ų | 60.3 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132 | 32.8 | 177.6 | -59.3 | -177.9 | 77.5 | 177.4 | 2.7 | 111.5 | L237 M285 H286 S290 E291 L292 | L237-R288 HydrophobicContact CD1-CB 4.02Å; L237-R288 HydrophobicContact CD1-CG 4.46Å; L237-R288 HydrophobicContact CD2-CG 4.39Å; M285-R288 CarbonylContact O-C 3.53Å; M285-R288 PolarHBondContact O-N 2.8Å; M285-R288 VanDerWaalsContact O-N 3.12Å; H286-R288 PolarHBondContact O-N 2.73Å; R288-S290 PolarHBondContact O-N 2.77Å; R288-S290 VanDerWaalsContact O-N 3.15Å; R288-E291 IonicContact CZ-OE1 3.58Å; R288-E291 IonicContact CZ-OE2 3.78Å; R288-E291 VanDerWaalsContact NE-CD 3.32Å; R288-E291 IonicContact NE-OE1 2.77Å; R288-E291 PolarHBondContact NE-OE1 2.97Å; R288-E291 IonicContact NE-OE2 3.18Å; R288-E291 PolarHBondContact NE-OE2 3.14Å; R288-E291 IonicContact NH2-OE1 3.8Å; R288-E291 PolarHBondContact NH2-OE1 3.04Å; R288-E291 IonicContact NH2-OE2 3.92Å; R288-E291 PolarHBondContact NH2-OE2 3.07Å; R288-E291 PolarHBondContact O-N 3.34Å; R288-L292 WeakPolarHBondContact O-CG 3.43Å |
| 289 | A | 92.9 | Very high | 92.3 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -53.3 | -39.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M285 H286 E291 L292 F293 P303 L306 | M285-A289 PolarHBondContact O-N 2.91Å; H286-A289 WeakPolarHBondContact O-CB 3.46Å; H286-A289 PolarHBondContact O-N 2.84Å; A289-E291 VanDerWaalsContact C-N 3.25Å; A289-E291 PolarHBondContact O-N 3.16Å; A289-L292 PolarHBondContact O-N 3.41Å; A289-L292 VanDerWaalsContact O-N 3.11Å; A289-F293 WeakPolarHBondContact O-CD2 3.46Å; A289-P303 HydrophobicContact CB-CB 4.06Å; A289-L306 HydrophobicContact CB-CD1 4.06Å |
| 290 | S | 90.9 | Very high | 92.1 | Very high | 75 Ų | 75 | 65 Ų | 65 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.5 | -34 | 178.4 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | R288 | R288-S290 PolarHBondContact O-N 2.77Å; R288-S290 VanDerWaalsContact O-N 3.15Å |
| 291 | E | 93 | Very high | 91.9 | Very high | 82 Ų | 82 | 63.5 Ų | 63.5 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -82.3 | -18.3 | 179.9 | -60.6 | -178.2 | -135.6 | 0 | 0 | 113.2 | R231 L235 R288 A289 | R231-E291 VanDerWaalsContact CD-O 3.26Å; R231-E291 WeakPolarHBondContact CD-O 3.35Å; R231-E291 PolarHBondContact NH1-O 3.18Å; L235-E291 HydrophobicContact CD1-CB 4.26Å; R288-E291 IonicContact CZ-OE1 3.58Å; R288-E291 IonicContact CZ-OE2 3.78Å; R288-E291 VanDerWaalsContact NE-CD 3.32Å; R288-E291 IonicContact NE-OE1 2.77Å; R288-E291 PolarHBondContact NE-OE1 2.97Å; R288-E291 IonicContact NE-OE2 3.18Å; R288-E291 PolarHBondContact NE-OE2 3.14Å; R288-E291 IonicContact NH2-OE1 3.8Å; R288-E291 PolarHBondContact NH2-OE1 3.04Å; R288-E291 IonicContact NH2-OE2 3.92Å; R288-E291 PolarHBondContact NH2-OE2 3.07Å; R288-E291 PolarHBondContact O-N 3.34Å; A289-E291 VanDerWaalsContact C-N 3.25Å; A289-E291 PolarHBondContact O-N 3.16Å |
| 292 | L | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -83.9 | -26.5 | -173.9 | -62 | -179.5 | 0 | 0 | 0 | 113.2 | V228 R231 A232 L235 L237 M253 M285 R288 A289 | V228-L292 HydrophobicContact CG1-CB 4.17Å; V228-L292 HydrophobicContact CG1-CD1 4.31Å; V228-L292 HydrophobicContact CG2-CB 4.32Å; V228-L292 WeakPolarHBondContact CG2-O 3.23Å; R231-L292 HydrophobicContact CB-CD2 3.74Å; R231-L292 WeakPolarHBondContact CD-O 3.48Å; A232-L292 HydrophobicContact CB-CD1 4.42Å; A232-L292 HydrophobicContact CB-CD2 4.04Å; L235-L292 HydrophobicContact CD1-CD2 4.01Å; L237-L292 HydrophobicContact CD1-CD1 4.36Å; L237-L292 HydrophobicContact CD1-CD2 4.07Å; M253-L292 HydrophobicContact SD-CD1 3.99Å; M285-L292 HydrophobicContact CB-CD1 3.68Å; M285-L292 HydrophobicContact CG-CD1 4.21Å; M285-L292 WeakPolarHBondContact O-CD1 3.36Å; R288-L292 WeakPolarHBondContact O-CG 3.43Å; A289-L292 PolarHBondContact O-N 3.41Å; A289-L292 VanDerWaalsContact O-N 3.11Å |
| 293 | F | 93.7 | Very high | 91.1 | Very high | 8 Ų | 8 | 73 Ų | 73 | 4% | 0.035 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -81.9 | 141.2 | -177.9 | -72.1 | -78.3 | 0 | 0 | 0 | 112.6 | V224 V228 R231 M253 A257 A289 L299 P303 L306 | V224-F293 HydrophobicContact CG1-CD1 3.66Å; V224-F293 HydrophobicContact CG1-CE1 3.87Å; V228-F293 HydrophobicContact CG2-CD1 3.93Å; V228-F293 HydrophobicContact CG2-CE1 4.01Å; V228-F293 HydrophobicContact CG2-CG 4.45Å; R231-F293 PolarHBondContact NH1-O 3.15Å; M253-F293 HydrophobicContact CG-CE1 4.45Å; M253-F293 HydrophobicContact CG-CE2 4.07Å; M253-F293 HydrophobicContact CG-CZ 3.56Å; M253-F293 HydrophobicContact SD-CE2 4.27Å; M253-F293 HydrophobicContact SD-CZ 4.27Å; A257-F293 HydrophobicContact CB-CD1 4.49Å; A257-F293 HydrophobicContact CB-CE1 3.5Å; A257-F293 HydrophobicContact CB-CE2 4.38Å; A257-F293 HydrophobicContact CB-CZ 3.42Å; A257-F293 VanDerWaalsContact CB-CZ 3.42Å; A289-F293 WeakPolarHBondContact O-CD2 3.46Å; F293-L299 HydrophobicContact CB-CD1 3.99Å; F293-L299 HydrophobicContact CD1-CD1 4Å; F293-L299 HydrophobicContact CD1-CD2 3.74Å; F293-L299 HydrophobicContact CD2-CD1 4.04Å; F293-L299 HydrophobicContact CE1-CD2 4.1Å; F293-L299 HydrophobicContact CG-CD1 3.74Å; F293-L299 HydrophobicContact CG-CD2 4.31Å; F293-P303 HydrophobicContact CD2-CB 4.28Å; F293-P303 HydrophobicContact CD2-CG 3.84Å; F293-P303 HydrophobicContact CE2-CB 4.4Å; F293-P303 HydrophobicContact CE2-CG 4.3Å; F293-L306 HydrophobicContact CE2-CD1 3.81Å; F293-L306 HydrophobicContact CZ-CD1 4.09Å |
| 294 | P | 90.2 | Very high | 90.7 | Very high | 13 Ų | 13 | 72.4 Ų | 72.4 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | trans | -62.2 | 139.6 | 170.1 | 25.3 | -31.6 | 0 | 0 | 0 | 111.4 | V224 V227 D296 V297 | V224-P294 HydrophobicContact CG1-CG 4.41Å; V224-P294 HydrophobicContact CG2-CG 4.05Å; V227-P294 HydrophobicContact CG1-CB 4.31Å; V227-P294 HydrophobicContact CG1-CG 4.47Å; P294-D296 VanDerWaalsContact C-N 3.3Å; P294-D296 VanDerWaalsContact CB-OD1 3.3Å; P294-D296 WeakPolarHBondContact CB-OD1 3.23Å; P294-D296 PolarHBondContact O-N 3.16Å; P294-V297 HydrophobicContact CB-CG2 4.08Å; P294-V297 HydrophobicContact CG-CB 4.02Å; P294-V297 HydrophobicContact CG-CG2 3.52Å | ||
| 295 | E | 87.2 | Confident | 90.5 | Very high | 186 Ų | 186 | 76.9 Ų | 76.9 | 87% | 0.869 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -25.5 | -175.9 | -63.7 | 177.8 | -174.4 | 0 | 0 | 112.7 | V297 | E295-V297 VanDerWaalsContact C-N 3.28Å; E295-V297 PolarHBondContact O-N 3.16Å |
| 296 | D | 87.8 | Confident | 90.2 | Very high | 144 Ų | 144 | 77.3 Ų | 77.3 | 77% | 0.77 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -3.4 | -177.2 | 59 | -55.6 | 0 | 0 | 0 | 113.9 | P294 | P294-D296 VanDerWaalsContact C-N 3.3Å; P294-D296 VanDerWaalsContact CB-OD1 3.3Å; P294-D296 WeakPolarHBondContact CB-OD1 3.23Å; P294-D296 PolarHBondContact O-N 3.16Å |
| 297 | V | 86.4 | Confident | 89.9 | Confident | 44 Ų | 44 | 77.2 Ų | 77.2 | 27% | 0.267 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -103.5 | 126.9 | -174.3 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | V224 L258 P294 E295 L299 | V224-V297 HydrophobicContact CG2-CB 4.38Å; V224-V297 HydrophobicContact CG2-CG1 3.94Å; V224-V297 HydrophobicContact CG2-CG2 3.97Å; L258-V297 HydrophobicContact CD2-CG1 3.77Å; P294-V297 HydrophobicContact CB-CG2 4.08Å; P294-V297 HydrophobicContact CG-CB 4.02Å; P294-V297 HydrophobicContact CG-CG2 3.52Å; E295-V297 VanDerWaalsContact C-N 3.28Å; E295-V297 PolarHBondContact O-N 3.16Å; V297-L299 HydrophobicContact CG1-CD2 4.1Å; V297-L299 PolarHBondContact O-N 3.36Å; V297-L299 VanDerWaalsContact O-N 3.13Å |
| 298 | R | 88.2 | Confident | 89.5 | Confident | 239 Ų | 239 | 79.2 Ų | 79.2 | 90% | 0.902 | 39% | 0.394 | S | S | * | . | trans | -74.1 | 101.7 | 170.4 | -65.7 | -176.7 | -176 | 176.1 | 1.1 | 109.9 | ||||
| 299 | L | 90.2 | Very high | 89.3 | Confident | 48 Ų | 48 | 78.8 Ų | 78.8 | 25% | 0.251 | 40% | 0.397 | S | S | . | . | trans | -76.9 | 139.2 | 173.1 | -54.6 | 176.9 | 0 | 0 | 0 | 110.1 | A257 L258 F293 V297 I301 P303 | A257-L299 HydrophobicContact CB-CD2 4.06Å; L258-L299 HydrophobicContact CD2-CD2 4.21Å; F293-L299 HydrophobicContact CB-CD1 3.99Å; F293-L299 HydrophobicContact CD1-CD1 4Å; F293-L299 HydrophobicContact CD1-CD2 3.74Å; F293-L299 HydrophobicContact CD2-CD1 4.04Å; F293-L299 HydrophobicContact CE1-CD2 4.1Å; F293-L299 HydrophobicContact CG-CD1 3.74Å; F293-L299 HydrophobicContact CG-CD2 4.31Å; V297-L299 HydrophobicContact CG1-CD2 4.1Å; V297-L299 PolarHBondContact O-N 3.36Å; V297-L299 VanDerWaalsContact O-N 3.13Å; L299-I301 VanDerWaalsContact C-N 3.33Å; L299-I301 WeakPolarHBondContact CB-O 3.42Å; L299-P303 HydrophobicContact CD1-CG 3.98Å | ||
| 300 | A | 91.6 | Very high | 89.1 | Confident | 72 Ų | 72 | 82.6 Ų | 82.6 | 60% | 0.595 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -73.7 | -29.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A257 | A257-A300 WeakPolarHBondContact O-CA 3.43Å; A257-A300 WeakPolarHBondContact O-CB 3.36Å; A257-A300 PolarHBondContact O-N 2.8Å |
| 301 | I | 90.5 | Very high | 89 | Confident | 19 Ų | 19 | 83.1 Ų | 83.1 | 10% | 0.097 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -127.4 | 132.4 | 179.1 | -58.6 | 176 | 0 | 0 | 0 | 107.8 | Y256 A257 L299 E305 L306 | Y256-I301 HydrophobicContact CD1-CD1 3.73Å; Y256-I301 HydrophobicContact CE1-CD1 3.38Å; Y256-I301 HydrophobicContact CE1-CG2 4.4Å; A257-I301 PolarHBondContact O-N 3.41Å; A257-I301 VanDerWaalsContact O-N 3.11Å; L299-I301 VanDerWaalsContact C-N 3.33Å; L299-I301 WeakPolarHBondContact CB-O 3.42Å; I301-E305 HydrophobicContact CG2-CB 3.63Å; I301-L306 HydrophobicContact CG2-CD2 4.39Å |
| 302 | R | 88.3 | Confident | 88.8 | Confident | 175 Ų | 175 | 83.1 Ų | 83.1 | 66% | 0.66 | 41% | 0.411 | S | S | * | . | trans | -67.9 | 149.9 | 179.3 | -69.9 | -178.6 | 172.6 | -174.7 | -1.1 | 110.4 | D304 E305 | R302-D304 PolarHBondContact O-N 2.87Å; R302-D304 VanDerWaalsContact O-N 3.11Å; R302-E305 HydrophobicContact CB-CG 4.32Å; R302-E305 PolarHBondContact O-N 3.25Å | ||
| 303 | P | 87.5 | Confident | 88.5 | Confident | 24 Ų | 24 | 88.3 Ų | 88.3 | 16% | 0.156 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -53.6 | -33.5 | 178.8 | -27.8 | 36.2 | 0 | 0 | 0 | 113.9 | A289 F293 L299 E305 L306 | A289-P303 HydrophobicContact CB-CB 4.06Å; F293-P303 HydrophobicContact CD2-CB 4.28Å; F293-P303 HydrophobicContact CD2-CG 3.84Å; F293-P303 HydrophobicContact CE2-CB 4.4Å; F293-P303 HydrophobicContact CE2-CG 4.3Å; L299-P303 HydrophobicContact CD1-CG 3.98Å; P303-E305 VanDerWaalsContact C-N 3.29Å; P303-E305 PolarHBondContact O-N 3.08Å; P303-L306 WeakPolarHBondContact O-CB 3.28Å; P303-L306 WeakPolarHBondContact O-CG 3.49Å; P303-L306 PolarHBondContact O-N 2.95Å |
| 304 | D | 86.1 | Confident | 88.1 | Confident | 139 Ų | 139 | 93.7 Ų | 93.7 | 74% | 0.743 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -72.5 | -19.9 | 179.1 | -52.1 | -41.4 | 0 | 0 | 0 | 113.6 | R302 | R302-D304 PolarHBondContact O-N 2.87Å; R302-D304 VanDerWaalsContact O-N 3.11Å |
| 305 | E | 89.6 | Confident | 88 | Confident | 125 Ų | 125 | 99.4 Ų | 99.4 | 58% | 0.584 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -96.4 | 4.8 | -179.6 | -65.2 | 171.9 | -177.4 | 0 | 0 | 112.3 | I301 R302 P303 | I301-E305 HydrophobicContact CG2-CB 3.63Å; R302-E305 HydrophobicContact CB-CG 4.32Å; R302-E305 PolarHBondContact O-N 3.25Å; P303-E305 VanDerWaalsContact C-N 3.29Å; P303-E305 PolarHBondContact O-N 3.08Å |
| 306 | L | 89.9 | Confident | 88 | Confident | 9 Ų | 9 | 92.8 Ų | 92.8 | 5% | 0.047 | 46% | 0.461 | C | S | . | . | trans | -69.6 | 137.5 | 177 | -70.4 | 177.6 | 0 | 0 | 0 | 111.1 | M253 Y256 A257 H286 A289 F293 I301 P303 | M253-L306 HydrophobicContact CG-CD1 4.21Å; Y256-L306 HydrophobicContact CD1-CD2 3.47Å; Y256-L306 VanDerWaalsContact CD1-CD2 3.47Å; Y256-L306 HydrophobicContact CE1-CD2 4.16Å; Y256-L306 HydrophobicContact CG-CD2 4.31Å; A257-L306 HydrophobicContact CB-CD2 4.24Å; H286-L306 PolarHBondContact NE2-O 3.08Å; A289-L306 HydrophobicContact CB-CD1 4.06Å; F293-L306 HydrophobicContact CE2-CD1 3.81Å; F293-L306 HydrophobicContact CZ-CD1 4.09Å; I301-L306 HydrophobicContact CG2-CD2 4.39Å; P303-L306 WeakPolarHBondContact O-CB 3.28Å; P303-L306 WeakPolarHBondContact O-CG 3.49Å; P303-L306 PolarHBondContact O-N 2.95Å | ||
| 307 | P | 88 | Confident | 88 | Confident | 37 Ų | 37 | 88.5 Ų | 88.5 | 24% | 0.24 | 44% | 0.436 | C | S | . | . | trans | -65.7 | 161 | -180 | 30.6 | -38.1 | 0 | 0 | 0 | 111.3 | Y256 Y282 H286 | Y256-P307 HydrophobicContact CD1-CG 4.33Å; Y256-P307 HydrophobicContact CD2-CG 4.08Å; Y256-P307 HydrophobicContact CE1-CG 3.89Å; Y256-P307 HydrophobicContact CE2-CG 3.63Å; Y256-P307 HydrophobicContact CG-CG 4.4Å; Y282-P307 WeakPolarHBondContact CE1-O 3.26Å; Y282-P307 PolarHBondContact OH-O 3.36Å; H286-P307 PolarHBondContact CD2-O 3.3Å; H286-P307 PolarHBondContact NE2-O 3.37Å | ||
| 308 | L | 80.3 | Confident | 88.2 | Confident | 131 Ų | 131 | 92.5 Ų | 92.5 | 69% | 0.686 | 45% | 0.451 | S | S | * | . | trans | -92.7 | 0 | 172.8 | -77.2 | 168.2 | 0 | 0 | 0 | 113.7 | H286 | H286-L308 VanDerWaalsContact CE1-CD2 3.48Å; H286-L308 WeakPolarHBondContact CE1-CD2 3.46Å; H286-L308 WeakPolarHBondContact ND1-CD2 3.43Å |
Retrieved 308 of 308 residues in 124.1 ms
(Link to these results)