| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.7 | Very low | 68.8 | Low | 239 Ų | 239 | 146.1 Ų | 146.1 | 100% | 1.177 | 71% | 0.713 | S | S | * | * | 0 | 99.6 | 0 | -69.3 | 178.2 | -163.9 | 0 | 0 | 106.6 | T3 | M1-T3 PolarHBondContact O-N 3.02Š| |||
| 2 | N | 41.9 | Very low | 71.1 | Confident | 163 Ų | 163 | 141.4 Ų | 141.4 | 87% | 0.872 | 69% | 0.686 | S | S | * | * | trans | -88.2 | 88.5 | -173.2 | -140.4 | 8.9 | 0 | 0 | 0 | 107.7 | L4 | N2-L4 PolarHBondContact O-N 3.14Š| ||
| 3 | T | 44.5 | Very low | 73.2 | Confident | 129 Ų | 129 | 131.8 Ų | 131.8 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | trans | -65.6 | 101.5 | 167 | 24.8 | 0 | 0 | 0 | 0 | 106.8 | M1 A5 | M1-T3 PolarHBondContact O-N 3.02Å; T3-A5 PolarHBondContact O-N 3.33Å | ||
| 4 | L | 57.6 | Low | 75 | Confident | 165 Ų | 165 | 122.5 Ų | 122.5 | 86% | 0.864 | 60% | 0.595 | S | S | * | * | trans | -49.4 | 109.8 | 165.3 | -90.2 | 110.7 | 0 | 0 | 0 | 106.9 | N2 R6 | N2-L4 PolarHBondContact O-N 3.14Å; L4-R6 PolarHBondContact O-N 2.89Å; L4-R6 VanDerWaalsContact O-N 3.07Å | ||
| 5 | A | 61.6 | Low | 76.6 | Confident | 61 Ų | 61 | 114.3 Ų | 114.3 | 50% | 0.504 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 118.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | T3 K7 | T3-A5 PolarHBondContact O-N 3.33Å; A5-K7 PolarHBondContact O-N 3.05Å |
| 6 | R | 68.4 | Low | 78 | Confident | 226 Ų | 226 | 108.7 Ų | 108.7 | 85% | 0.853 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 121.5 | -175 | -167.2 | 173 | 172.1 | -177.9 | -3.5 | 109.4 | L4 | L4-R6 PolarHBondContact O-N 2.89Å; L4-R6 VanDerWaalsContact O-N 3.07Å |
| 7 | K | 75.8 | Confident | 79.2 | Confident | 73 Ų | 73 | 102.3 Ų | 102.3 | 32% | 0.317 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 135.8 | 172.6 | -175.9 | 179.7 | 176.9 | -171.9 | 0 | 109.5 | A5 F9 H36 | A5-K7 PolarHBondContact O-N 3.05Å; K7-F9 HydrophobicContact CD-CE1 4.34Å; K7-F9 HydrophobicContact CD-CZ 4.24Å; K7-F9 HydrophobicContact CG-CZ 4.43Å; K7-H36 VanDerWaalsContact CE-O 3.26Å; K7-H36 WeakPolarHBondContact CE-O 3.47Å |
| 8 | R | 90.2 | Very high | 80.3 | Confident | 148 Ų | 148 | 96.8 Ų | 96.8 | 56% | 0.558 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -91.8 | 153.7 | 174.3 | -66.5 | -170.6 | 176.9 | 176.8 | -4.1 | 110.2 | S34 R35 | R8-S34 WeakPolarHBondContact CD-O 3.3Å; R8-R35 PolarHBondContact N-O 3.3Å |
| 9 | F | 91.3 | Very high | 81.2 | Confident | 155 Ų | 155 | 92.4 Ų | 92.4 | 68% | 0.68 | 45% | 0.447 | S | S | * | . | trans | -125.7 | 144.2 | 177.4 | -60.6 | -87 | 0 | 0 | 0 | 107.7 | K7 | K7-F9 HydrophobicContact CD-CE1 4.34Å; K7-F9 HydrophobicContact CD-CZ 4.24Å; K7-F9 HydrophobicContact CG-CZ 4.43Å | ||
| 10 | Y | 94.8 | Very high | 82 | Confident | 72 Ų | 72 | 90.2 Ų | 90.2 | 28% | 0.282 | 44% | 0.438 | S | S | . | . | trans | -78.7 | 147.9 | 171.1 | -61.2 | -77.2 | 0 | 0 | 0 | 109.8 | K12 P14 H36 T392 | Y10-K12 VanDerWaalsContact C-N 3.29Å; Y10-K12 WeakPolarHBondContact CB-O 3.41Å; Y10-P14 HydrophobicContact CD1-CG 4.19Å; Y10-P14 HydrophobicContact CD2-CG 3.58Å; Y10-P14 HydrophobicContact CE1-CG 4.19Å; Y10-P14 HydrophobicContact CE2-CG 3.57Å; Y10-P14 HydrophobicContact CG-CG 3.89Å; Y10-H36 AromaticContact CD1-CD2 3.83Å; Y10-H36 AromaticContact CD1-NE2 3.74Å; Y10-H36 HydrophobicContact CD2-CB 4.37Å; Y10-H36 AromaticContact CD2-CD2 3.76Å; Y10-H36 AromaticContact CE1-CD2 3.69Å; Y10-H36 AromaticContact CE1-CE1 3.63Å; Y10-H36 AromaticContact CE1-CG 3.79Å; Y10-H36 AromaticContact CE1-ND1 3.75Å; Y10-H36 AromaticContact CE1-NE2 3.64Å; Y10-H36 HydrophobicContact CE2-CB 3.55Å; Y10-H36 AromaticContact CE2-CD2 3.63Å; Y10-H36 AromaticContact CE2-CG 3.54Å; Y10-H36 AromaticContact CG-CD2 3.86Å; Y10-H36 AromaticContact CZ-CD2 3.59Å; Y10-H36 AromaticContact CZ-CE1 3.94Å; Y10-H36 AromaticContact CZ-CG 3.32Å; Y10-H36 AromaticContact CZ-ND1 3.57Å; Y10-H36 PolarHBondContact OH-ND1 2.78Å; Y10-T392 WeakPolarHBondContact CD2-O 3.46Å; Y10-T392 WeakPolarHBondContact CE2-O 3.44Å | ||
| 11 | D | 93.8 | Very high | 82.8 | Confident | 176 Ų | 176 | 86 Ų | 86 | 94% | 0.941 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -70.7 | -30.5 | 174.4 | -65.3 | -34.6 | 0 | 0 | 0 | 111.7 | ||
| 12 | K | 97.1 | Very high | 85.7 | Confident | 90 Ų | 90 | 75.9 Ų | 75.9 | 39% | 0.391 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -132.2 | 152.2 | 175.3 | -65.8 | -176.5 | 179.5 | -167.2 | 0 | 109.2 | Y10 P14 D427 D429 | Y10-K12 VanDerWaalsContact C-N 3.29Å; Y10-K12 WeakPolarHBondContact CB-O 3.41Å; K12-P14 WeakPolarHBondContact O-CD 3.23Å; K12-D427 WeakPolarHBondContact CB-O 3.27Å; K12-D427 HydrophobicContact CD-CB 4.43Å; K12-D427 WeakPolarHBondContact CE-OD2 3.31Å; K12-D427 IonicContact NZ-OD1 3.93Å; K12-D427 PolarHBondContact NZ-OD1 2.75Å; K12-D427 IonicContact NZ-OD2 3.73Å; K12-D427 PolarHBondContact NZ-OD2 3.35Å; K12-D429 HydrophobicContact CB-CB 4Å |
| 13 | L | 98.3 | Very high | 88.4 | Confident | 17 Ų | 17 | 71.5 Ų | 71.5 | 9% | 0.089 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 116 | 177.1 | 178.3 | 62.4 | 0 | 0 | 0 | 110 | P391 V394 Y425 L428 D429 | L13-P391 HydrophobicContact CD1-CG 4.07Å; L13-P391 VanDerWaalsContact CD1-O 3.29Å; L13-P391 WeakPolarHBondContact CD1-O 3.24Å; L13-P391 HydrophobicContact CD2-CG 4.03Å; L13-V394 HydrophobicContact CD1-CG2 4.23Å; L13-V394 HydrophobicContact CD2-CG2 3.84Å; L13-V394 HydrophobicContact CG-CG2 4.11Å; L13-Y425 HydrophobicContact CD2-CD2 3.47Å; L13-Y425 VanDerWaalsContact CD2-CD2 3.47Å; L13-Y425 HydrophobicContact CD2-CE2 4.19Å; L13-Y425 HydrophobicContact CD2-CG 3.8Å; L13-L428 HydrophobicContact CB-CD2 4.09Å; L13-L428 HydrophobicContact CD2-CD2 4.18Å; L13-L428 HydrophobicContact CG-CD2 4.48Å; L13-D429 PolarHBondContact O-N 3.17Å |
| 14 | P | 98.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 134.8 | 175.8 | 28.9 | -35.5 | 0 | 0 | 0 | 111.6 | Y10 K12 L393 V394 D429 | Y10-P14 HydrophobicContact CD1-CG 4.19Å; Y10-P14 HydrophobicContact CD2-CG 3.58Å; Y10-P14 HydrophobicContact CE1-CG 4.19Å; Y10-P14 HydrophobicContact CE2-CG 3.57Å; Y10-P14 HydrophobicContact CG-CG 3.89Å; K12-P14 WeakPolarHBondContact O-CD 3.23Å; P14-L393 HydrophobicContact CB-CD1 3.93Å; P14-L393 HydrophobicContact CG-CD1 3.53Å; P14-V394 PolarHBondContact O-N 3.47Å; P14-D429 WeakPolarHBondContact CA-O 3.22Å |
| 15 | V | 98.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 111 | 173.6 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | I17 V394 L418 L421 L428 D429 V430 H431 | V15-I17 HydrophobicContact CG1-CG1 4.15Å; V15-V394 WeakPolarHBondContact CA-O 3.31Å; V15-V394 HydrophobicContact CB-CB 4.38Å; V15-V394 HydrophobicContact CG1-CB 4.19Å; V15-V394 HydrophobicContact CG1-CG1 4.07Å; V15-V394 HydrophobicContact CG2-CB 4.07Å; V15-V394 HydrophobicContact CG2-CG2 4.4Å; V15-L418 HydrophobicContact CG1-CD2 4.02Å; V15-L421 HydrophobicContact CG1-CD1 4.45Å; V15-L421 HydrophobicContact CG2-CD1 4.39Å; V15-L428 HydrophobicContact CG2-CB 4.35Å; V15-L428 HydrophobicContact CG2-CD1 4.16Å; V15-L428 HydrophobicContact CG2-CD2 4.4Å; V15-D429 PolarHBondContact N-O 3.06Å; V15-V430 HydrophobicContact CB-CG2 4.38Å; V15-H431 PolarHBondContact O-N 3.03Å |
| 16 | W | 98.8 | Very high | 94.5 | Very high | 24 Ų | 24 | 58.3 Ų | 58.3 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 115.7 | 177.9 | -62.8 | 83.8 | 0 | 0 | 0 | 109.9 | H27 R30 V394 T395 M396 H431 | W16-H27 HydrophobicContact CB-CB 4.24Å; W16-H27 VanDerWaalsContact CB-CD2 3.44Å; W16-H27 WeakPolarHBondContact CB-CD2 3.49Å; W16-H27 HydrophobicContact CD2-CB 4.24Å; W16-H27 AromaticContact CD2-CE1 3.85Å; W16-H27 AromaticContact CD2-CG 3.68Å; W16-H27 AromaticContact CD2-ND1 3.56Å; W16-H27 AromaticContact CE3-CE1 3.22Å; W16-H27 AromaticContact CE3-CG 3.89Å; W16-H27 AromaticContact CE3-ND1 3.37Å; W16-H27 AromaticContact CE3-NE2 3.67Å; W16-H27 HydrophobicContact CG-CB 3.86Å; W16-H27 AromaticContact CG-CD2 3.75Å; W16-H27 AromaticContact CG-CG 3.57Å; W16-H27 AromaticContact CG-ND1 3.99Å; W16-H27 AromaticContact CZ3-CE1 3.86Å; W16-H27 AromaticContact CZ3-ND1 4Å; W16-R30 VanDerWaalsContact CD2-NH2 3.27Å; W16-R30 VanDerWaalsContact CZ3-NH2 3.29Å; W16-V394 PolarHBondContact N-O 3.04Å; W16-T395 CarbonylContact O-C 3.25Å; W16-T395 WeakPolarHBondContact O-CA 3.46Å; W16-M396 PolarHBondContact O-N 3.5Å; W16-H431 HydrophobicContact CD2-CB 3.9Å; W16-H431 AromaticContact CE2-CD2 3.62Å; W16-H431 HydrophobicContact CE3-CB 3.35Å; W16-H431 AromaticContact CE3-CG 3.71Å; W16-H431 HydrophobicContact CH2-CB 3.86Å; W16-H431 AromaticContact CH2-CD2 3.46Å; W16-H431 VanDerWaalsContact CH2-CD2 3.46Å; W16-H431 WeakPolarHBondContact CH2-CD2 3.42Å; W16-H431 AromaticContact CH2-CE1 3.59Å; W16-H431 AromaticContact CH2-CG 3.24Å; W16-H431 AromaticContact CH2-ND1 3.33Å; W16-H431 VanDerWaalsContact CH2-ND1 3.33Å; W16-H431 WeakPolarHBondContact CH2-ND1 3.47Å; W16-H431 AromaticContact CH2-NE2 3.65Å; W16-H431 HydrophobicContact CZ2-CB 4.35Å; W16-H431 AromaticContact CZ2-CD2 3.3Å; W16-H431 WeakPolarHBondContact CZ2-CD2 3.46Å; W16-H431 AromaticContact CZ2-CE1 3.92Å; W16-H431 AromaticContact CZ2-CG 3.62Å; W16-H431 AromaticContact CZ2-ND1 3.99Å; W16-H431 AromaticContact CZ2-NE2 3.5Å; W16-H431 HydrophobicContact CZ3-CB 3.35Å; W16-H431 AromaticContact CZ3-CD2 3.91Å; W16-H431 AromaticContact CZ3-CG 3.31Å; W16-H431 AromaticContact CZ3-ND1 3.64Å |
| 17 | I | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 115.5 | -179.9 | -48 | 177.9 | 0 | 0 | 0 | 108.4 | V15 M396 R398 Q414 L418 V430 H431 K432 D433 Y434 | V15-I17 HydrophobicContact CG1-CG1 4.15Å; I17-M396 CarbonylContact C-O 3.6Å; I17-M396 WeakPolarHBondContact CA-O 3.39Å; I17-M396 HydrophobicContact CD1-SD 4.11Å; I17-M396 HydrophobicContact CG1-CB 4.21Å; I17-M396 HydrophobicContact CG1-SD 4.09Å; I17-M396 HydrophobicContact CG2-CB 4.41Å; I17-M396 HydrophobicContact CG2-CG 4.29Å; I17-M396 HydrophobicContact CG2-SD 4.2Å; I17-R398 HydrophobicContact CG2-CG 3.93Å; I17-Q414 HydrophobicContact CD1-CG 4.23Å; I17-L418 HydrophobicContact CD1-CD1 4.02Å; I17-L418 HydrophobicContact CD1-CD2 4.24Å; I17-V430 HydrophobicContact CD1-CG1 3.87Å; I17-H431 PolarHBondContact N-O 2.79Å; I17-K432 HydrophobicContact CD1-CG 4.17Å; I17-D433 PolarHBondContact O-N 3.12Å; I17-Y434 HydrophobicContact CB-CD1 4.25Å; I17-Y434 HydrophobicContact CB-CE1 4.16Å; I17-Y434 HydrophobicContact CG2-CD1 3.84Å; I17-Y434 HydrophobicContact CG2-CE1 3.71Å |
| 18 | V | 98.6 | Very high | 97 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 171.2 | 177.8 | -58.7 | 0 | 0 | 0 | 0 | 110.2 | D20 H23 V24 M396 R398 | V18-D20 VanDerWaalsContact CG2-O 3.28Å; V18-D20 WeakPolarHBondContact CG2-O 3.39Å; V18-H23 HydrophobicContact CB-CB 3.89Å; V18-H23 HydrophobicContact CG1-CB 3.84Å; V18-H23 HydrophobicContact CG2-CB 4.2Å; V18-V24 HydrophobicContact CG2-CG1 3.57Å; V18-M396 PolarHBondContact N-O 3.19Å; V18-R398 WeakPolarHBondContact O-CG 3.35Å; V18-R398 PolarHBondContact O-N 3.49Å; V18-R398 VanDerWaalsContact O-N 3.16Å |
| 19 | E | 97.9 | Very high | 97.3 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.065 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -89.6 | -74.5 | 171.8 | -167 | 56.9 | -142 | 0 | 0 | 109.1 | S397 R398 S399 S400 L401 | E19-S397 PolarHBondContact O-OG 3.33Å; E19-R398 PolarHBondContact O-N 2.85Å; E19-R398 VanDerWaalsContact OE2-CD 3.27Å; E19-R398 WeakPolarHBondContact OE2-CD 3.31Å; E19-R398 IonicContact OE2-NE 2.64Å; E19-R398 PolarHBondContact OE2-NE 3.48Å; E19-R398 VanDerWaalsContact OE2-NE 3.11Å; E19-S399 PolarHBondContact O-N 2.94Å; E19-S400 VanDerWaalsContact OE1-CA 3.31Å; E19-S400 WeakPolarHBondContact OE1-CA 3.36Å; E19-S400 WeakPolarHBondContact OE1-CB 3.41Å; E19-S400 PolarHBondContact OE1-N 3.27Å; E19-S400 PolarHBondContact OE1-OG 3.04Å; E19-S400 PolarHBondContact OE2-OG 2.79Å; E19-L401 HydrophobicContact CG-CB 3.97Å; E19-L401 HydrophobicContact CG-CD1 3.6Å; E19-L401 HydrophobicContact CG-CG 3.53Å; E19-L401 PolarHBondContact OE1-N 3.4Å |
| 20 | D | 97.4 | Very high | 97.6 | Very high | 48 Ų | 48 | 37.3 Ų | 37.3 | 26% | 0.257 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -74.8 | 134.3 | 174.6 | -42.2 | -30.6 | 0 | 0 | 0 | 110.7 | V18 H22 H23 I76 | V18-D20 VanDerWaalsContact CG2-O 3.28Å; V18-D20 WeakPolarHBondContact CG2-O 3.39Å; D20-H22 VanDerWaalsContact CB-CE1 3.43Å; D20-H22 WeakPolarHBondContact CB-CE1 3.48Å; D20-H22 PolarHBondContact O-N 3.27Å; D20-H22 IonicContact OD2-CE1 2.62Å; D20-H23 WeakPolarHBondContact O-CB 3.49Å; D20-H23 PolarHBondContact O-N 3.25Å; D20-H23 PolarHBondContact O-ND1 2.86Å; D20-H23 IonicContact OD2-CE1 2.83Å; D20-H23 PolarHBondContact OD2-CE1 3.2Å; D20-H23 VanDerWaalsContact OD2-CE1 3.24Å; D20-H23 IonicContact OD2-ND1 3.11Å; D20-I76 HydrophobicContact CB-CG2 3.86Å |
| 21 | H | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -57.3 | -46.4 | -169.9 | -151.6 | 150.4 | 0 | 0 | 0 | 114 | H23 V24 H46 D48 D52 I76 W79 D249 D251 S397 | H21-H23 PolarHBondContact O-N 3.29Å; H21-V24 WeakPolarHBondContact O-CB 3.21Å; H21-V24 VanDerWaalsContact O-CG1 3.27Å; H21-V24 WeakPolarHBondContact O-CG1 3.47Å; H21-V24 WeakPolarHBondContact O-CG2 3.29Å; H21-V24 PolarHBondContact O-N 3.41Å; H21-H46 AromaticContact CE1-CE1 3.4Å; H21-H46 PolarHBondContact CE1-CE1 2.74Å; H21-H46 AromaticContact NE2-CE1 3.64Å; H21-D48 IonicContact CE1-OD2 2.78Å; H21-D48 PolarHBondContact CE1-OD2 3.28Å; H21-D48 IonicContact ND1-OD2 3.92Å; H21-D52 IonicContact CE1-OD2 2.98Å; H21-D52 PolarHBondContact CE1-OD2 3.09Å; H21-D52 IonicContact CG-OD2 3.78Å; H21-D52 IonicContact ND1-OD2 3.73Å; H21-D52 PolarHBondContact ND1-OD2 3.03Å; H21-D52 IonicContact NE2-OD2 3.11Å; H21-I76 HydrophobicContact CB-CB 4.28Å; H21-I76 HydrophobicContact CB-CG2 4.38Å; H21-W79 AromaticContact CD2-CE2 3.81Å; H21-W79 AromaticContact CD2-CZ2 3.82Å; H21-W79 AromaticContact CD2-NE1 3.58Å; H21-W79 AromaticContact CG-NE1 3.64Å; H21-W79 AromaticContact NE2-CZ2 3.62Å; H21-W79 AromaticContact NE2-NE1 3.93Å; H21-D249 IonicContact CD2-OD2 3.95Å; H21-D249 IonicContact CE1-OD2 2.7Å; H21-D249 PolarHBondContact CE1-OD2 3.11Å; H21-D249 IonicContact NE2-OD1 3.01Å; H21-D249 IonicContact NE2-OD2 3.87Å; H21-D249 PolarHBondContact NE2-OD2 3.1Å; H21-D251 IonicContact CE1-OD2 2.79Å; H21-D251 IonicContact CG-OD2 3.98Å; H21-D251 IonicContact ND1-OD2 2.83Å; H21-D251 PolarHBondContact ND1-OD2 3.06Å; H21-S397 WeakPolarHBondContact CA-OG 3.21Å; H21-S397 PolarHBondContact N-OG 3.26Å |
| 22 | H | 97.9 | Very high | 97.9 | Very high | 27 Ų | 27 | 26.4 Ų | 26.4 | 13% | 0.125 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -57.9 | -20.5 | -177.1 | 65.8 | -81.4 | 0 | 0 | 0 | 114.3 | D20 V24 V25 L74 S75 W79 | D20-H22 VanDerWaalsContact CB-CE1 3.43Å; D20-H22 WeakPolarHBondContact CB-CE1 3.48Å; D20-H22 PolarHBondContact O-N 3.27Å; D20-H22 IonicContact OD2-CE1 2.62Å; H22-V24 PolarHBondContact O-N 3.03Å; H22-V24 VanDerWaalsContact O-N 3.17Å; H22-V25 WeakPolarHBondContact O-CB 3.39Å; H22-V25 WeakPolarHBondContact O-CG2 3.32Å; H22-V25 PolarHBondContact O-N 2.99Å; H22-V25 VanDerWaalsContact O-N 3.17Å; H22-L74 HydrophobicContact CB-CB 4.03Å; H22-S75 WeakPolarHBondContact CB-O 3.05Å; H22-W79 HydrophobicContact CB-CB 3.79Å; H22-W79 HydrophobicContact CB-CG 4.25Å |
| 23 | H | 97.9 | Very high | 97.8 | Very high | 70 Ų | 70 | 26.1 Ų | 26.1 | 32% | 0.324 | 13% | 0.131 | S | C | . | . | G | 310 helix | trans | -62.3 | -20.5 | 174.4 | -69.9 | 130.6 | 0 | 0 | 0 | 113.5 | V18 D20 H21 V25 H26 | V18-H23 HydrophobicContact CB-CB 3.89Å; V18-H23 HydrophobicContact CG1-CB 3.84Å; V18-H23 HydrophobicContact CG2-CB 4.2Å; D20-H23 WeakPolarHBondContact O-CB 3.49Å; D20-H23 PolarHBondContact O-N 3.25Å; D20-H23 PolarHBondContact O-ND1 2.86Å; D20-H23 IonicContact OD2-CE1 2.83Å; D20-H23 PolarHBondContact OD2-CE1 3.2Å; D20-H23 VanDerWaalsContact OD2-CE1 3.24Å; D20-H23 IonicContact OD2-ND1 3.11Å; H21-H23 PolarHBondContact O-N 3.29Å; H23-V25 PolarHBondContact O-N 3Å; H23-V25 VanDerWaalsContact O-N 3.16Å; H23-H26 PolarHBondContact O-CD2 3.35Å; H23-H26 PolarHBondContact O-N 2.85Å |
| 24 | V | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.8 | -29.1 | 175.2 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | V18 H21 H22 H26 H27 I28 W79 T395 | V18-V24 HydrophobicContact CG2-CG1 3.57Å; H21-V24 WeakPolarHBondContact O-CB 3.21Å; H21-V24 VanDerWaalsContact O-CG1 3.27Å; H21-V24 WeakPolarHBondContact O-CG1 3.47Å; H21-V24 WeakPolarHBondContact O-CG2 3.29Å; H21-V24 PolarHBondContact O-N 3.41Å; H22-V24 PolarHBondContact O-N 3.03Å; H22-V24 VanDerWaalsContact O-N 3.17Å; V24-H26 PolarHBondContact O-N 3.26Å; V24-H27 PolarHBondContact O-N 2.84Å; V24-I28 HydrophobicContact CG2-CD1 4.2Å; V24-I28 WeakPolarHBondContact O-CG1 3.46Å; V24-I28 PolarHBondContact O-N 3.05Å; V24-W79 HydrophobicContact CG2-CD2 4.14Å; V24-W79 HydrophobicContact CG2-CE3 4.01Å; V24-W79 HydrophobicContact CG2-CH2 3.85Å; V24-W79 HydrophobicContact CG2-CZ2 4Å; V24-W79 HydrophobicContact CG2-CZ3 3.85Å; V24-T395 HydrophobicContact CB-CG2 3.87Å; V24-T395 HydrophobicContact CG1-CG2 4.13Å |
| 25 | V | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.6 | -37.4 | -179.4 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | H22 H23 H27 I28 Y29 L71 L74 W79 M83 | H22-V25 WeakPolarHBondContact O-CB 3.39Å; H22-V25 WeakPolarHBondContact O-CG2 3.32Å; H22-V25 PolarHBondContact O-N 2.99Å; H22-V25 VanDerWaalsContact O-N 3.17Å; H23-V25 PolarHBondContact O-N 3Å; H23-V25 VanDerWaalsContact O-N 3.16Å; V25-H27 VanDerWaalsContact C-N 3.29Å; V25-H27 PolarHBondContact O-N 3.48Å; V25-I28 PolarHBondContact O-N 3.08Å; V25-Y29 HydrophobicContact CG1-CD1 4.13Å; V25-Y29 HydrophobicContact CG1-CD2 4.01Å; V25-Y29 HydrophobicContact CG1-CE1 3.9Å; V25-Y29 HydrophobicContact CG1-CE2 3.78Å; V25-Y29 HydrophobicContact CG1-CG 4.19Å; V25-Y29 WeakPolarHBondContact O-CB 3.29Å; V25-Y29 PolarHBondContact O-N 2.65Å; V25-L71 HydrophobicContact CB-CD2 4.42Å; V25-L71 HydrophobicContact CG1-CD2 4.07Å; V25-L74 HydrophobicContact CB-CD1 4.27Å; V25-L74 HydrophobicContact CG1-CD1 4.26Å; V25-L74 HydrophobicContact CG2-CD1 3.93Å; V25-W79 HydrophobicContact CG2-CB 3.82Å; V25-W79 HydrophobicContact CG2-CD2 4.18Å; V25-W79 HydrophobicContact CG2-CE3 3.62Å; V25-W79 HydrophobicContact CG2-CG 4.31Å; V25-M83 HydrophobicContact CG2-SD 4.23Å |
| 26 | H | 96.8 | Very high | 97.4 | Very high | 78 Ų | 78 | 34.9 Ų | 34.9 | 36% | 0.361 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.5 | -41.9 | 176.8 | -69.3 | -86.3 | 0 | 0 | 0 | 112.2 | H23 V24 R30 L71 | H23-H26 PolarHBondContact O-CD2 3.35Å; H23-H26 PolarHBondContact O-N 2.85Å; V24-H26 PolarHBondContact O-N 3.26Å; H26-R30 WeakPolarHBondContact O-CB 3.03Å; H26-R30 PolarHBondContact O-N 3.4Å; H26-L71 WeakPolarHBondContact CE1-CD1 3.16Å |
| 27 | H | 98.1 | Very high | 97.3 | Very high | 13 Ų | 13 | 34 Ų | 34 | 6% | 0.06 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -74.8 | -38.2 | -178.3 | -56.6 | -48.4 | 0 | 0 | 0 | 111.7 | W16 V24 V25 R30 A31 D433 | W16-H27 HydrophobicContact CB-CB 4.24Å; W16-H27 VanDerWaalsContact CB-CD2 3.44Å; W16-H27 WeakPolarHBondContact CB-CD2 3.49Å; W16-H27 HydrophobicContact CD2-CB 4.24Å; W16-H27 AromaticContact CD2-CE1 3.85Å; W16-H27 AromaticContact CD2-CG 3.68Å; W16-H27 AromaticContact CD2-ND1 3.56Å; W16-H27 AromaticContact CE3-CE1 3.22Å; W16-H27 AromaticContact CE3-CG 3.89Å; W16-H27 AromaticContact CE3-ND1 3.37Å; W16-H27 AromaticContact CE3-NE2 3.67Å; W16-H27 HydrophobicContact CG-CB 3.86Å; W16-H27 AromaticContact CG-CD2 3.75Å; W16-H27 AromaticContact CG-CG 3.57Å; W16-H27 AromaticContact CG-ND1 3.99Å; W16-H27 AromaticContact CZ3-CE1 3.86Å; W16-H27 AromaticContact CZ3-ND1 4Å; V24-H27 PolarHBondContact O-N 2.84Å; V25-H27 VanDerWaalsContact C-N 3.29Å; V25-H27 PolarHBondContact O-N 3.48Å; H27-R30 PolarHBondContact ND1-NH2 2.93Å; H27-R30 PolarHBondContact O-N 2.96Å; H27-A31 WeakPolarHBondContact O-CB 3.34Å; H27-A31 PolarHBondContact O-N 2.7Å; H27-D433 IonicContact CE1-OD2 3.72Å; H27-D433 PolarHBondContact CE1-OD2 2.99Å; H27-D433 IonicContact NE2-OD2 3.46Å; H27-D433 PolarHBondContact NE2-OD2 2.93Å |
| 28 | I | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -49.7 | 174.7 | -60.5 | 173.4 | 0 | 0 | 0 | 110 | V24 V25 R30 A31 I32 L37 W79 M83 I247 L393 T395 | V24-I28 HydrophobicContact CG2-CD1 4.2Å; V24-I28 WeakPolarHBondContact O-CG1 3.46Å; V24-I28 PolarHBondContact O-N 3.05Å; V25-I28 PolarHBondContact O-N 3.08Å; I28-R30 VanDerWaalsContact C-N 3.3Å; I28-R30 PolarHBondContact O-N 3.11Å; I28-A31 WeakPolarHBondContact O-CA 3.48Å; I28-A31 WeakPolarHBondContact O-CB 3.26Å; I28-A31 PolarHBondContact O-N 3.5Å; I28-I32 HydrophobicContact CG2-CD1 4.2Å; I28-I32 WeakPolarHBondContact O-CG1 3.39Å; I28-I32 PolarHBondContact O-N 3.47Å; I28-L37 HydrophobicContact CG2-CD1 4.1Å; I28-W79 HydrophobicContact CD1-CZ3 3.97Å; I28-M83 HydrophobicContact CD1-CE 4.2Å; I28-M83 HydrophobicContact CD1-SD 4.23Å; I28-M83 HydrophobicContact CG2-CE 3.69Å; I28-M83 HydrophobicContact CG2-SD 4.46Å; I28-I247 HydrophobicContact CB-CD1 4.38Å; I28-I247 HydrophobicContact CD1-CD1 3.97Å; I28-I247 HydrophobicContact CG1-CD1 3.96Å; I28-I247 HydrophobicContact CG2-CD1 3.57Å; I28-L393 HydrophobicContact CG1-CD2 4.23Å; I28-T395 HydrophobicContact CG1-CG2 4.29Å |
| 29 | Y | 97.4 | Very high | 96.9 | Very high | 40 Ų | 40 | 41.3 Ų | 41.3 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.3 | -37.3 | 178 | -76.7 | 6.3 | 0 | 0 | 0 | 112.3 | V25 A31 I32 A33 L70 M83 H88 | V25-Y29 HydrophobicContact CG1-CD1 4.13Å; V25-Y29 HydrophobicContact CG1-CD2 4.01Å; V25-Y29 HydrophobicContact CG1-CE1 3.9Å; V25-Y29 HydrophobicContact CG1-CE2 3.78Å; V25-Y29 HydrophobicContact CG1-CG 4.19Å; V25-Y29 WeakPolarHBondContact O-CB 3.29Å; V25-Y29 PolarHBondContact O-N 2.65Å; Y29-A31 VanDerWaalsContact C-N 3.35Å; Y29-I32 HydrophobicContact CD1-CD1 4.18Å; Y29-I32 PolarHBondContact O-N 2.92Å; Y29-A33 WeakPolarHBondContact O-CB 3.41Å; Y29-A33 PolarHBondContact O-N 3.42Å; Y29-L70 HydrophobicContact CE2-CD2 4.27Å; Y29-L70 WeakPolarHBondContact OH-CD2 3.26Å; Y29-M83 HydrophobicContact CE1-CG 3.92Å; Y29-M83 HydrophobicContact CE1-SD 4.31Å; Y29-H88 AromaticContact CE1-CD2 3.89Å |
| 30 | R | 97.1 | Very high | 96.7 | Very high | 109 Ų | 109 | 44.5 Ų | 44.5 | 41% | 0.411 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 172.4 | -174.5 | 179.7 | 59.9 | -162.5 | -13.1 | 111.8 | W16 H26 H27 I28 A33 S34 | W16-R30 VanDerWaalsContact CD2-NH2 3.27Å; W16-R30 VanDerWaalsContact CZ3-NH2 3.29Å; H26-R30 WeakPolarHBondContact O-CB 3.03Å; H26-R30 PolarHBondContact O-N 3.4Å; H27-R30 PolarHBondContact ND1-NH2 2.93Å; H27-R30 PolarHBondContact O-N 2.96Å; I28-R30 VanDerWaalsContact C-N 3.3Å; I28-R30 PolarHBondContact O-N 3.11Å; R30-A33 PolarHBondContact O-N 3.32Å; R30-S34 VanDerWaalsContact O-CB 3.26Å; R30-S34 WeakPolarHBondContact O-CB 3.44Å; R30-S34 PolarHBondContact O-N 3.09Å; R30-S34 PolarHBondContact O-OG 3.47Å |
| 31 | A | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.3 | -34.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | H27 I28 Y29 S34 R35 H36 L37 L393 | H27-A31 WeakPolarHBondContact O-CB 3.34Å; H27-A31 PolarHBondContact O-N 2.7Å; I28-A31 WeakPolarHBondContact O-CA 3.48Å; I28-A31 WeakPolarHBondContact O-CB 3.26Å; I28-A31 PolarHBondContact O-N 3.5Å; Y29-A31 VanDerWaalsContact C-N 3.35Å; A31-S34 WeakPolarHBondContact CA-OG 3.4Å; A31-S34 PolarHBondContact O-OG 2.89Å; A31-R35 PolarHBondContact O-N 3.38Å; A31-H36 PolarHBondContact O-N 3.02Å; A31-L37 HydrophobicContact CB-CB 4.48Å; A31-L37 HydrophobicContact CB-CD1 3.7Å; A31-L37 HydrophobicContact CB-CG 3.98Å; A31-L37 PolarHBondContact O-N 2.95Å; A31-L393 HydrophobicContact CB-CD2 4.15Å |
| 32 | I | 96.5 | Very high | 96.3 | Very high | 18 Ų | 18 | 45.9 Ų | 45.9 | 9% | 0.092 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.9 | -53.4 | 170.4 | -63.5 | 169.9 | 0 | 0 | 0 | 110.3 | I28 Y29 S34 R35 L37 L39 I42 H88 | I28-I32 HydrophobicContact CG2-CD1 4.2Å; I28-I32 WeakPolarHBondContact O-CG1 3.39Å; I28-I32 PolarHBondContact O-N 3.47Å; Y29-I32 HydrophobicContact CD1-CD1 4.18Å; Y29-I32 PolarHBondContact O-N 2.92Å; I32-S34 VanDerWaalsContact C-N 3.27Å; I32-S34 PolarHBondContact O-N 3.02Å; I32-R35 PolarHBondContact O-N 2.88Å; I32-L37 HydrophobicContact CG1-CB 3.93Å; I32-L37 HydrophobicContact CG1-CD1 4.33Å; I32-L39 HydrophobicContact CG2-CD1 4Å; I32-I42 HydrophobicContact CD1-CD1 3.54Å; I32-I42 HydrophobicContact CG1-CD1 3.73Å; I32-H88 HydrophobicContact CD1-CB 4.22Å |
| 33 | A | 95.9 | Very high | 96.2 | Very high | 84 Ų | 84 | 46.4 Ų | 46.4 | 69% | 0.694 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -61.1 | -35.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y29 R30 R35 | Y29-A33 WeakPolarHBondContact O-CB 3.41Å; Y29-A33 PolarHBondContact O-N 3.42Å; R30-A33 PolarHBondContact O-N 3.32Å; A33-R35 VanDerWaalsContact C-N 3.29Å; A33-R35 PolarHBondContact O-N 2.97Å |
| 34 | S | 96 | Very high | 96.2 | Very high | 32 Ų | 32 | 43.1 Ų | 43.1 | 22% | 0.224 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 0.9 | 176.5 | 61.9 | 0 | 0 | 0 | 0 | 114.2 | R8 R30 A31 I32 H36 | R8-S34 WeakPolarHBondContact CD-O 3.3Å; R30-S34 VanDerWaalsContact O-CB 3.26Å; R30-S34 WeakPolarHBondContact O-CB 3.44Å; R30-S34 PolarHBondContact O-N 3.09Å; R30-S34 PolarHBondContact O-OG 3.47Å; A31-S34 WeakPolarHBondContact CA-OG 3.4Å; A31-S34 PolarHBondContact O-OG 2.89Å; I32-S34 VanDerWaalsContact C-N 3.27Å; I32-S34 PolarHBondContact O-N 3.02Å; S34-H36 VanDerWaalsContact C-N 3.33Å; S34-H36 PolarHBondContact O-N 3.15Å; S34-H36 PolarHBondContact OG-ND1 3.09Å |
| 35 | R | 95.4 | Very high | 96.3 | Very high | 149 Ų | 149 | 43.2 Ų | 43.2 | 56% | 0.562 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 28.1 | 176.7 | -48.8 | 178.4 | -176.6 | 176.5 | -1.5 | 114.8 | R8 A31 I32 A33 | R8-R35 PolarHBondContact N-O 3.3Å; A31-R35 PolarHBondContact O-N 3.38Å; I32-R35 PolarHBondContact O-N 2.88Å; A33-R35 VanDerWaalsContact C-N 3.29Å; A33-R35 PolarHBondContact O-N 2.97Å |
| 36 | H | 95.9 | Very high | 96.3 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 10% | 0.102 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -82.2 | -40 | 166.9 | -65.2 | 94.6 | 0 | 0 | 0 | 110.3 | K7 Y10 A31 S34 T392 | K7-H36 VanDerWaalsContact CE-O 3.26Å; K7-H36 WeakPolarHBondContact CE-O 3.47Å; Y10-H36 AromaticContact CD1-CD2 3.83Å; Y10-H36 AromaticContact CD1-NE2 3.74Å; Y10-H36 HydrophobicContact CD2-CB 4.37Å; Y10-H36 AromaticContact CD2-CD2 3.76Å; Y10-H36 AromaticContact CE1-CD2 3.69Å; Y10-H36 AromaticContact CE1-CE1 3.63Å; Y10-H36 AromaticContact CE1-CG 3.79Å; Y10-H36 AromaticContact CE1-ND1 3.75Å; Y10-H36 AromaticContact CE1-NE2 3.64Å; Y10-H36 HydrophobicContact CE2-CB 3.55Å; Y10-H36 AromaticContact CE2-CD2 3.63Å; Y10-H36 AromaticContact CE2-CG 3.54Å; Y10-H36 AromaticContact CG-CD2 3.86Å; Y10-H36 AromaticContact CZ-CD2 3.59Å; Y10-H36 AromaticContact CZ-CE1 3.94Å; Y10-H36 AromaticContact CZ-CG 3.32Å; Y10-H36 AromaticContact CZ-ND1 3.57Å; Y10-H36 PolarHBondContact OH-ND1 2.78Å; A31-H36 PolarHBondContact O-N 3.02Å; S34-H36 VanDerWaalsContact C-N 3.33Å; S34-H36 PolarHBondContact O-N 3.15Å; S34-H36 PolarHBondContact OG-ND1 3.09Å; H36-T392 HydrophobicContact CB-CG2 4.46Å; H36-T392 WeakPolarHBondContact O-CG2 3.45Å |
| 37 | L | 95.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -97.2 | 150.5 | 167.6 | -70.2 | 172.2 | 0 | 0 | 0 | 111 | I28 A31 I32 I42 P245 I247 T392 | I28-L37 HydrophobicContact CG2-CD1 4.1Å; A31-L37 HydrophobicContact CB-CB 4.48Å; A31-L37 HydrophobicContact CB-CD1 3.7Å; A31-L37 HydrophobicContact CB-CG 3.98Å; A31-L37 PolarHBondContact O-N 2.95Å; I32-L37 HydrophobicContact CG1-CB 3.93Å; I32-L37 HydrophobicContact CG1-CD1 4.33Å; L37-I42 HydrophobicContact CB-CD1 4.3Å; L37-I42 HydrophobicContact CD1-CD1 4.46Å; L37-P245 HydrophobicContact CD2-CB 4.38Å; L37-I247 HydrophobicContact CD1-CD1 3.76Å; L37-I247 HydrophobicContact CD1-CG1 3.9Å; L37-I247 HydrophobicContact CD2-CG1 4.12Å; L37-T392 HydrophobicContact CD2-CG2 3.69Å; L37-T392 HydrophobicContact CG-CG2 4.17Å |
| 38 | P | 94.1 | Very high | 96.5 | Very high | 43 Ų | 43 | 39 Ų | 39 | 28% | 0.279 | 20% | 0.199 | S | C | . | . | trans | -68.5 | 165.2 | 171.1 | 32.3 | -35.6 | 0 | 0 | 0 | 110.9 | N40 I42 P245 | P38-N40 VanDerWaalsContact C-N 3.34Å; P38-I42 HydrophobicContact CG-CG1 3.96Å; P38-I42 WeakPolarHBondContact O-CD1 3.25Å; P38-P245 HydrophobicContact CG-CG 3.77Å | ||
| 39 | L | 94.5 | Very high | 96.5 | Very high | 114 Ų | 114 | 39 Ų | 39 | 60% | 0.597 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -73.4 | -26.4 | 177.9 | -176.5 | 63.7 | 0 | 0 | 0 | 113.1 | I32 H88 | I32-L39 HydrophobicContact CG2-CD1 4Å; L39-H88 PolarHBondContact O-ND1 3.46Å |
| 40 | N | 94.3 | Very high | 96.5 | Very high | 81 Ų | 81 | 38 Ų | 38 | 43% | 0.433 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -145.9 | 169.4 | -175.8 | 53.9 | 64.7 | 0 | 0 | 0 | 110.3 | P38 I42 G87 H88 | P38-N40 VanDerWaalsContact C-N 3.34Å; N40-I42 PolarHBondContact O-N 3.31Å; N40-G87 WeakPolarHBondContact CA-O 3.45Å; N40-G87 VanDerWaalsContact CB-O 3.27Å; N40-G87 WeakPolarHBondContact CB-O 3.26Å; N40-H88 CarbonylContact C-O 3.59Å |
| 41 | N | 92 | Very high | 96.5 | Very high | 79 Ų | 79 | 32.8 Ų | 32.8 | 42% | 0.422 | 18% | 0.176 | S | C | . | . | trans | 56.3 | 34.2 | -178.5 | -59.4 | -65.3 | 0 | 0 | 0 | 112.9 | H88 | N41-H88 PolarHBondContact N-O 3.07Š| ||
| 42 | I | 94.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 139.5 | 170.1 | -59.7 | 172.8 | 0 | 0 | 0 | 108.1 | I32 L37 P38 N40 H88 S90 I247 | I32-I42 HydrophobicContact CD1-CD1 3.54Å; I32-I42 HydrophobicContact CG1-CD1 3.73Å; L37-I42 HydrophobicContact CB-CD1 4.3Å; L37-I42 HydrophobicContact CD1-CD1 4.46Å; P38-I42 HydrophobicContact CG-CG1 3.96Å; P38-I42 WeakPolarHBondContact O-CD1 3.25Å; N40-I42 PolarHBondContact O-N 3.31Å; I42-H88 VanDerWaalsContact CB-O 3.28Å; I42-H88 WeakPolarHBondContact CB-O 3.42Å; I42-H88 HydrophobicContact CD1-CB 4.2Å; I42-H88 WeakPolarHBondContact CG1-O 3.33Å; I42-H88 PolarHBondContact N-O 2.93Å; I42-S90 PolarHBondContact O-N 3.11Å; I42-I247 HydrophobicContact CG2-CD1 3.66Å; I42-I247 HydrophobicContact CG2-CG1 3.93Å |
| 43 | R | 96.8 | Very high | 96.5 | Very high | 39 Ų | 39 | 32.3 Ų | 32.3 | 15% | 0.147 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 137.1 | 173.3 | -67.1 | -175.8 | 179.7 | 79.2 | -15 | 109.9 | Y91 F239 L240 D244 Y246 I247 | R43-Y91 WeakPolarHBondContact CA-O 3.45Å; R43-Y91 HydrophobicContact CG-CD2 4.43Å; R43-Y91 HydrophobicContact CG-CG 4.32Å; R43-F239 HydrophobicContact CB-CE1 3.69Å; R43-F239 HydrophobicContact CB-CZ 3.84Å; R43-F239 WeakPolarHBondContact CD-O 3.23Å; R43-F239 HydrophobicContact CG-CE1 4.07Å; R43-F239 HydrophobicContact CG-CZ 4.04Å; R43-F239 PolarHBondContact NE-O 3.31Å; R43-L240 HydrophobicContact CB-CD2 4.22Å; R43-D244 IonicContact CZ-OD1 3.01Å; R43-D244 IonicContact CZ-OD2 2.8Å; R43-D244 VanDerWaalsContact CZ-OD2 3.24Å; R43-D244 IonicContact NE-OD2 2.7Å; R43-D244 IonicContact NH1-OD1 3.57Å; R43-D244 PolarHBondContact NH1-OD1 2.99Å; R43-D244 IonicContact NH1-OD2 3.19Å; R43-D244 IonicContact NH2-OD1 3.86Å; R43-D244 PolarHBondContact NH2-OD1 3.16Å; R43-D244 IonicContact NH2-OD2 3.36Å; R43-D244 PolarHBondContact NH2-OD2 3.44Å; R43-Y246 CarbonylContact O-C 3.58Å; R43-Y246 WeakPolarHBondContact O-CA 3.14Å; R43-Y246 WeakPolarHBondContact O-CB 3.33Å; R43-I247 PolarHBondContact O-N 3.27Å |
| 44 | L | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 130.5 | 176.9 | -179 | 64.1 | 0 | 0 | 0 | 109.7 | H46 W79 I80 L89 Y91 M92 V93 I247 D249 | L44-H46 HydrophobicContact CD2-CB 4.46Å; L44-H46 HydrophobicContact CG-CB 4.34Å; L44-W79 HydrophobicContact CD2-CH2 4.11Å; L44-I80 HydrophobicContact CD2-CD1 4.03Å; L44-I80 HydrophobicContact CD2-CG1 4.43Å; L44-I80 HydrophobicContact CD2-CG2 4.46Å; L44-L89 HydrophobicContact CB-CD1 3.67Å; L44-L89 HydrophobicContact CB-CG 4.49Å; L44-L89 HydrophobicContact CD2-CD1 3.74Å; L44-L89 HydrophobicContact CG-CD1 4.33Å; L44-Y91 PolarHBondContact N-O 3.05Å; L44-M92 HydrophobicContact CB-CG 4.32Å; L44-M92 HydrophobicContact CD2-CE 4.32Å; L44-M92 HydrophobicContact CD2-CG 4.21Å; L44-M92 HydrophobicContact CD2-SD 4.15Å; L44-M92 HydrophobicContact CG-CG 4.41Å; L44-M92 CarbonylContact O-C 3.58Å; L44-M92 WeakPolarHBondContact O-CA 3.28Å; L44-V93 PolarHBondContact O-N 3.45Å; L44-I247 HydrophobicContact CD1-CB 3.85Å; L44-I247 HydrophobicContact CD1-CG2 3.93Å; L44-D249 HydrophobicContact CD1-CB 3.69Å |
| 45 | V | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 112.8 | 164.2 | 178.5 | 0 | 0 | 0 | 0 | 106 | L47 L95 L236 F239 L240 Y246 I247 L248 D249 | V45-L47 HydrophobicContact CG1-CD1 3.97Å; V45-L95 HydrophobicContact CG1-CD1 3.79Å; V45-L95 HydrophobicContact CG1-CG 4.17Å; V45-L236 HydrophobicContact CG1-CD2 4.32Å; V45-L236 HydrophobicContact CG2-CD2 4.11Å; V45-F239 HydrophobicContact CG2-CE1 4.34Å; V45-L240 HydrophobicContact CG2-CD1 4.28Å; V45-Y246 HydrophobicContact CB-CD2 4.26Å; V45-Y246 HydrophobicContact CB-CE2 4.31Å; V45-Y246 HydrophobicContact CG2-CD2 3.78Å; V45-Y246 HydrophobicContact CG2-CE2 4.01Å; V45-I247 PolarHBondContact N-O 2.97Å; V45-L248 HydrophobicContact CB-CD1 4.34Å; V45-L248 HydrophobicContact CG1-CD1 4.17Å; V45-D249 PolarHBondContact O-N 3.36Å |
| 46 | H | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 116.1 | -170.6 | -168.6 | 66.2 | 0 | 0 | 0 | 109.4 | H21 L44 D48 D52 W79 M92 V93 W94 L95 D249 | H21-H46 AromaticContact CE1-CE1 3.4Å; H21-H46 PolarHBondContact CE1-CE1 2.74Å; H21-H46 AromaticContact NE2-CE1 3.64Å; L44-H46 HydrophobicContact CD2-CB 4.46Å; L44-H46 HydrophobicContact CG-CB 4.34Å; H46-D48 VanDerWaalsContact CD2-CB 3.42Å; H46-D48 WeakPolarHBondContact CD2-CB 3.46Å; H46-D48 IonicContact CD2-OD2 3.26Å; H46-D48 IonicContact CE1-OD2 3.99Å; H46-D48 PolarHBondContact CE1-OD2 3.08Å; H46-D48 WeakPolarHBondContact NE2-CB 3.23Å; H46-D48 IonicContact NE2-OD2 3.03Å; H46-D48 PolarHBondContact NE2-OD2 2.99Å; H46-D52 IonicContact CE1-OD2 3.71Å; H46-D52 IonicContact NE2-OD2 2.75Å; H46-W79 AromaticContact CE1-CZ2 3.85Å; H46-M92 HydrophobicContact CB-CE 3.55Å; H46-V93 PolarHBondContact N-O 3.22Å; H46-W94 AromaticContact CD2-CD1 3.69Å; H46-L95 PolarHBondContact O-N 3.4Å; H46-D249 IonicContact CE1-OD2 2.94Å; H46-D249 PolarHBondContact CE1-OD2 3.46Å; H46-D249 IonicContact ND1-OD2 3.84Å; H46-D249 PolarHBondContact ND1-OD2 3.29Å |
| 47 | L | 98.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 110.2 | 175.1 | -73.3 | 75.5 | 0 | 0 | 0 | 108.1 | V45 L95 L248 D249 I250 D251 F254 V381 | V45-L47 HydrophobicContact CG1-CD1 3.97Å; L47-L95 WeakPolarHBondContact CA-O 2.99Å; L47-L95 HydrophobicContact CD1-CD1 3.94Å; L47-L95 HydrophobicContact CG-CB 4.06Å; L47-L95 HydrophobicContact CG-CD1 4.07Å; L47-L248 HydrophobicContact CD1-CD1 3.54Å; L47-D249 PolarHBondContact N-O 2.86Å; L47-I250 HydrophobicContact CB-CG2 4.43Å; L47-I250 HydrophobicContact CD1-CG1 4.43Å; L47-D251 PolarHBondContact O-N 2.86Å; L47-F254 HydrophobicContact CB-CB 4.48Å; L47-F254 HydrophobicContact CB-CD2 4.03Å; L47-F254 HydrophobicContact CB-CE2 4.46Å; L47-F254 HydrophobicContact CB-CG 4.08Å; L47-F254 HydrophobicContact CD2-CE1 4.39Å; L47-V381 HydrophobicContact CD2-CB 4.32Å; L47-V381 HydrophobicContact CD2-CG1 3.8Å; L47-V381 HydrophobicContact CD2-CG2 3.52Å |
| 48 | D | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -162.5 | 148.6 | -169.4 | -165.3 | -27.3 | 0 | 0 | 0 | 110.6 | H21 H46 H50 W94 L95 P97 D251 | H21-D48 IonicContact CE1-OD2 2.78Å; H21-D48 PolarHBondContact CE1-OD2 3.28Å; H21-D48 IonicContact ND1-OD2 3.92Å; H46-D48 VanDerWaalsContact CD2-CB 3.42Å; H46-D48 WeakPolarHBondContact CD2-CB 3.46Å; H46-D48 IonicContact CD2-OD2 3.26Å; H46-D48 IonicContact CE1-OD2 3.99Å; H46-D48 PolarHBondContact CE1-OD2 3.08Å; H46-D48 WeakPolarHBondContact NE2-CB 3.23Å; H46-D48 IonicContact NE2-OD2 3.03Å; H46-D48 PolarHBondContact NE2-OD2 2.99Å; D48-H50 WeakPolarHBondContact CB-O 3.23Å; D48-H50 PolarHBondContact OD1-N 3.06Å; D48-H50 IonicContact OD1-ND1 3.88Å; D48-W94 PolarHBondContact O-NE1 3.4Å; D48-L95 PolarHBondContact N-O 3.16Å; D48-P97 WeakPolarHBondContact O-CD 3.5Å; D48-D251 HydrophobicContact CB-CB 4.05Å | ||
| 49 | S | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -71.2 | -21.8 | 166.7 | -77.7 | 0 | 0 | 0 | 0 | 112.6 | W99 S100 Q102 D253 C257 P365 | S49-W99 PolarHBondContact OG-NE1 2.94Å; S49-S100 WeakPolarHBondContact O-CB 3.35Å; S49-S100 PolarHBondContact O-OG 2.9Å; S49-Q102 PolarHBondContact O-OE1 3.27Å; S49-D253 WeakPolarHBondContact CB-OD1 3.4Å; S49-D253 PolarHBondContact N-OD1 2.96Å; S49-D253 PolarHBondContact OG-O 3.39Å; S49-C257 WeakPolarHBondContact OG-CB 3.16Å; S49-P365 WeakPolarHBondContact O-CG 3.29Å |
| 50 | H | 97.6 | Very high | 96.2 | Very high | 18 Ų | 18 | 25.2 Ų | 25.2 | 8% | 0.083 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -113.8 | 153.7 | 179.5 | -53.4 | 95.4 | 0 | 0 | 0 | 111.3 | D48 W94 Q102 D253 Y404 | D48-H50 WeakPolarHBondContact CB-O 3.23Å; D48-H50 PolarHBondContact OD1-N 3.06Å; D48-H50 IonicContact OD1-ND1 3.88Å; H50-W94 VanDerWaalsContact C-CZ2 3.46Å; H50-W94 PolarHBondContact O-NE1 2.61Å; H50-W94 VanDerWaalsContact O-NE1 3.1Å; H50-Q102 PolarHBondContact CD2-OE1 2.64Å; H50-D253 IonicContact CE1-OD2 3.1Å; H50-D253 PolarHBondContact CE1-OD2 2.9Å; H50-D253 IonicContact ND1-OD2 3.69Å; H50-D253 PolarHBondContact ND1-OD2 2.87Å; H50-Y404 AromaticContact CE1-CD1 3.6Å; H50-Y404 AromaticContact NE2-CD1 4Å |
| 51 | P | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | trans | -81.8 | -24.3 | -179.8 | 28 | -33.3 | 0 | 0 | 0 | 114.3 | L53 W94 Q102 I103 Y129 | P51-L53 VanDerWaalsContact C-N 3.27Å; P51-L53 HydrophobicContact CB-CB 4.42Å; P51-L53 HydrophobicContact CB-CD1 4.25Å; P51-L53 HydrophobicContact CB-CG 4.05Å; P51-L53 VanDerWaalsContact O-CG 3.3Å; P51-L53 WeakPolarHBondContact O-CG 3.22Å; P51-L53 PolarHBondContact O-N 3.34Å; P51-W94 HydrophobicContact CB-CD2 4.03Å; P51-W94 HydrophobicContact CB-CE3 3.83Å; P51-W94 HydrophobicContact CB-CH2 3.84Å; P51-W94 HydrophobicContact CB-CZ2 4.01Å; P51-W94 HydrophobicContact CB-CZ3 3.75Å; P51-W94 HydrophobicContact CG-CH2 4.04Å; P51-W94 HydrophobicContact CG-CZ2 4.37Å; P51-W94 HydrophobicContact CG-CZ3 4.27Å; P51-Q102 VanDerWaalsContact CD-OE1 3.3Å; P51-Q102 HydrophobicContact CG-CB 4.49Å; P51-I103 HydrophobicContact CB-CD1 3.78Å; P51-I103 HydrophobicContact CG-CD1 4.03Å; P51-I103 HydrophobicContact CG-CG1 4.44Å; P51-Y129 HydrophobicContact CG-CD2 4.11Å; P51-Y129 HydrophobicContact CG-CE1 4.15Å; P51-Y129 HydrophobicContact CG-CE2 3.37Å; P51-Y129 WeakPolarHBondContact CG-OH 3.41Å | ||
| 52 | D | 97.9 | Very high | 96.6 | Very high | 8 Ų | 8 | 21.6 Ų | 21.6 | 4% | 0.043 | 12% | 0.118 | C | C | . | . | trans | 54.3 | 36.7 | -175.7 | -66.2 | -3.8 | 0 | 0 | 0 | 115.7 | H21 H46 I76 E77 W79 I80 | H21-D52 IonicContact CE1-OD2 2.98Å; H21-D52 PolarHBondContact CE1-OD2 3.09Å; H21-D52 IonicContact CG-OD2 3.78Å; H21-D52 IonicContact ND1-OD2 3.73Å; H21-D52 PolarHBondContact ND1-OD2 3.03Å; H21-D52 IonicContact NE2-OD2 3.11Å; H46-D52 IonicContact CE1-OD2 3.71Å; H46-D52 IonicContact NE2-OD2 2.75Å; D52-I76 VanDerWaalsContact CG-O 3.27Å; D52-E77 CarbonylContact C-O 3.03Å; D52-E77 VanDerWaalsContact CA-O 3.29Å; D52-E77 WeakPolarHBondContact CA-O 3.34Å; D52-W79 PolarHBondContact OD2-NE1 2.95Å; D52-I80 HydrophobicContact CB-CD1 3.81Å; D52-I80 HydrophobicContact CB-CG1 4.24Å; D52-I80 WeakPolarHBondContact O-CB 3.36Å; D52-I80 WeakPolarHBondContact O-CG1 3.47Å | ||
| 53 | L | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -105.8 | 4.9 | -172.7 | -68 | -171.7 | 0 | 0 | 0 | 113.6 | P51 E77 I80 M81 M92 I103 Y129 F130 L150 | P51-L53 VanDerWaalsContact C-N 3.27Å; P51-L53 HydrophobicContact CB-CB 4.42Å; P51-L53 HydrophobicContact CB-CD1 4.25Å; P51-L53 HydrophobicContact CB-CG 4.05Å; P51-L53 VanDerWaalsContact O-CG 3.3Å; P51-L53 WeakPolarHBondContact O-CG 3.22Å; P51-L53 PolarHBondContact O-N 3.34Å; L53-E77 PolarHBondContact N-O 3.28Å; L53-I80 HydrophobicContact CD2-CB 4.03Å; L53-I80 HydrophobicContact CD2-CD1 4.07Å; L53-I80 HydrophobicContact CD2-CG2 3.8Å; L53-M81 HydrophobicContact CB-CE 3.63Å; L53-M81 HydrophobicContact CD1-CE 4.14Å; L53-M81 HydrophobicContact CD2-CE 3.67Å; L53-M81 HydrophobicContact CG-CE 3.97Å; L53-M81 WeakPolarHBondContact O-CE 3.46Å; L53-M81 WeakPolarHBondContact O-CG 3.45Å; L53-M92 HydrophobicContact CD2-CE 4.02Å; L53-M92 HydrophobicContact CD2-SD 3.68Å; L53-I103 HydrophobicContact CD1-CD1 3.98Å; L53-Y129 HydrophobicContact CB-CE1 3.7Å; L53-Y129 PolarHBondContact N-OH 3.37Å; L53-F130 HydrophobicContact CB-CE1 3.9Å; L53-F130 HydrophobicContact CB-CZ 4.01Å; L53-F130 HydrophobicContact CD1-CZ 4.13Å; L53-F130 WeakPolarHBondContact O-CE1 3.46Å; L53-L150 HydrophobicContact CD1-CD1 4.2Å; L53-L150 HydrophobicContact CD1-CD2 3.45Å; L53-L150 VanDerWaalsContact CD1-CD2 3.45Å; L53-L150 HydrophobicContact CD1-CG 4.46Å | ||
| 54 | L | 96.5 | Very high | 96.7 | Very high | 28 Ų | 28 | 20.1 Ų | 20.1 | 15% | 0.147 | 11% | 0.113 | C | C | . | . | trans | -70.1 | 168.7 | 177.2 | -66.1 | -171.6 | 0 | 0 | 0 | 111.7 | E77 N78 Y129 D133 L135 | L54-E77 HydrophobicContact CB-CG 4.25Å; L54-E77 HydrophobicContact CD1-CG 3.99Å; L54-E77 HydrophobicContact CG-CG 4.48Å; L54-E77 PolarHBondContact N-O 2.91Å; L54-E77 VanDerWaalsContact N-O 3.09Å; L54-N78 HydrophobicContact CB-CB 4.26Å; L54-N78 VanDerWaalsContact O-CA 3.23Å; L54-N78 WeakPolarHBondContact O-CA 3.48Å; L54-N78 WeakPolarHBondContact O-CB 2.96Å; L54-Y129 HydrophobicContact CD2-CD1 4.25Å; L54-Y129 HydrophobicContact CD2-CE1 3.55Å; L54-Y129 HydrophobicContact CD2-CE2 4.28Å; L54-Y129 HydrophobicContact CG-CE1 4.2Å; L54-Y129 WeakPolarHBondContact CG-OH 3.41Å; L54-Y129 PolarHBondContact N-OH 3.33Å; L54-D133 HydrophobicContact CD2-CB 4.13Å; L54-D133 VanDerWaalsContact CD2-OD2 3.28Å; L54-D133 WeakPolarHBondContact CD2-OD2 3.36Å; L54-L135 HydrophobicContact CD2-CD1 3.97Å | ||
| 55 | I | 95.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | trans | -134.9 | 134.7 | 177.2 | -65.4 | 158.8 | 0 | 0 | 0 | 106.3 | V57 M81 I121 L123 L135 | I55-V57 PolarHBondContact O-N 3.37Å; I55-V57 VanDerWaalsContact O-N 3.08Å; I55-M81 HydrophobicContact CD1-CB 3.96Å; I55-M81 HydrophobicContact CD1-CG 4.03Å; I55-M81 HydrophobicContact CG1-CB 3.42Å; I55-M81 VanDerWaalsContact CG1-CB 3.42Å; I55-M81 HydrophobicContact CG1-CG 3.73Å; I55-I121 HydrophobicContact CD1-CD1 4.43Å; I55-I121 HydrophobicContact CD1-CG1 4.06Å; I55-I121 HydrophobicContact CG2-CB 4.15Å; I55-I121 HydrophobicContact CG2-CD1 4.45Å; I55-I121 HydrophobicContact CG2-CG1 4.12Å; I55-I121 HydrophobicContact CG2-CG2 3.26Å; I55-L123 HydrophobicContact CD1-CD2 3.76Å; I55-L123 HydrophobicContact CD1-CG 4.36Å; I55-L135 HydrophobicContact CB-CD1 4.11Å; I55-L135 HydrophobicContact CB-CD2 4.01Å | ||
| 56 | P | 92.9 | Very high | 96.5 | Very high | 28 Ų | 28 | 30.9 Ų | 30.9 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | trans | -61.9 | 119.2 | 172.7 | -22.1 | 35.2 | 0 | 0 | 0 | 109.7 | N58 M59 N78 | P56-N58 PolarHBondContact O-N 3.01Å; P56-M59 HydrophobicContact CB-CB 4.1Å; P56-M59 HydrophobicContact CB-CE 4.35Å; P56-M59 HydrophobicContact CG-CE 3.68Å; P56-M59 WeakPolarHBondContact O-CB 3.43Å; P56-M59 PolarHBondContact O-N 2.84Å; P56-N78 HydrophobicContact CG-CB 4.37Å; P56-N78 WeakPolarHBondContact CG-ND2 3.41Å | ||
| 57 | V | 89.9 | Confident | 96.3 | Very high | 54 Ų | 54 | 36.2 Ų | 36.2 | 33% | 0.327 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -32 | -168.7 | -171.1 | 0 | 0 | 0 | 0 | 112 | I55 R122 L135 | I55-V57 PolarHBondContact O-N 3.37Å; I55-V57 VanDerWaalsContact O-N 3.08Å; V57-R122 VanDerWaalsContact CG1-NH2 3.33Å; V57-R122 VanDerWaalsContact O-CZ 3.3Å; V57-R122 PolarHBondContact O-NH1 3.13Å; V57-R122 PolarHBondContact O-NH2 3.35Å; V57-L135 HydrophobicContact CG2-CD2 4.25Å |
| 58 | N | 91.9 | Very high | 96.1 | Very high | 133 Ų | 133 | 42.2 Ų | 42.2 | 71% | 0.711 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 1.4 | -177.6 | -65.1 | -40.6 | 0 | 0 | 0 | 114.5 | P56 P60 | P56-N58 PolarHBondContact O-N 3.01Å; N58-P60 WeakPolarHBondContact O-CD 3.33Å |
| 59 | M | 95.3 | Very high | 96 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -68.8 | 117 | -176.7 | -178 | -175.8 | -74.6 | 0 | 0 | 111.3 | P56 A61 T63 V64 L70 E73 L74 P82 T120 I121 | P56-M59 HydrophobicContact CB-CB 4.1Å; P56-M59 HydrophobicContact CB-CE 4.35Å; P56-M59 HydrophobicContact CG-CE 3.68Å; P56-M59 WeakPolarHBondContact O-CB 3.43Å; P56-M59 PolarHBondContact O-N 2.84Å; M59-A61 PolarHBondContact O-N 3.44Å; M59-T63 HydrophobicContact CG-CG2 4.29Å; M59-V64 HydrophobicContact SD-CG2 4.19Å; M59-L70 HydrophobicContact CE-CD1 4.04Å; M59-L70 HydrophobicContact SD-CD1 4.19Å; M59-E73 HydrophobicContact CE-CB 3.59Å; M59-L74 HydrophobicContact CE-CD2 4.45Å; M59-P82 HydrophobicContact SD-CG 4.46Å; M59-T120 VanDerWaalsContact O-CA 3.25Å; M59-T120 WeakPolarHBondContact O-CA 3.45Å; M59-T120 VanDerWaalsContact O-CB 3.3Å; M59-T120 WeakPolarHBondContact O-CB 3.35Å; M59-I121 HydrophobicContact CB-CG2 4.03Å; M59-I121 HydrophobicContact CG-CG2 4.18Å; M59-I121 PolarHBondContact O-N 3.31Å; M59-I121 HydrophobicContact SD-CG2 4.11Å | ||
| 60 | P | 97.4 | Very high | 95.9 | Very high | 50 Ų | 50 | 45.8 Ų | 45.8 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -64.7 | 136.9 | 171.4 | -19.6 | 33.2 | 0 | 0 | 0 | 110.3 | N58 D62 T63 | N58-P60 WeakPolarHBondContact O-CD 3.33Å; P60-D62 PolarHBondContact O-N 3.1Å; P60-D62 VanDerWaalsContact O-N 3.14Å; P60-T63 WeakPolarHBondContact O-CB 3.43Å; P60-T63 PolarHBondContact O-N 3.16Å; P60-T63 PolarHBondContact O-OG1 3.39Å |
| 61 | A | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -57.7 | -33.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M59 T63 V64 Y85 R114 T119 | M59-A61 PolarHBondContact O-N 3.44Å; A61-T63 PolarHBondContact O-N 2.88Å; A61-V64 WeakPolarHBondContact O-CB 3.47Å; A61-V64 PolarHBondContact O-N 2.91Å; A61-Y85 HydrophobicContact CB-CE1 3.82Å; A61-Y85 WeakPolarHBondContact O-CE1 3.27Å; A61-R114 HydrophobicContact CB-CB 3.65Å; A61-R114 HydrophobicContact CB-CG 3.7Å; A61-T119 PolarHBondContact N-O 3.36Å |
| 62 | D | 97.3 | Very high | 95.7 | Very high | 84 Ų | 84 | 50.1 Ų | 50.1 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -65.1 | -23.3 | -180 | -64.4 | -30 | 0 | 0 | 0 | 112.7 | P60 V64 F65 R114 | P60-D62 PolarHBondContact O-N 3.1Å; P60-D62 VanDerWaalsContact O-N 3.14Å; D62-V64 PolarHBondContact O-N 2.75Å; D62-F65 PolarHBondContact O-N 3.02Å; D62-F65 VanDerWaalsContact O-N 3.1Å; D62-R114 VanDerWaalsContact CG-NH1 3.29Å; D62-R114 IonicContact OD1-NH1 3.61Å; D62-R114 PolarHBondContact OD1-NH1 2.91Å; D62-R114 IonicContact OD2-CZ 3.24Å; D62-R114 IonicContact OD2-NH1 2.82Å; D62-R114 PolarHBondContact OD2-NH1 3.21Å; D62-R114 IonicContact OD2-NH2 2.93Å |
| 63 | T | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -57.7 | -33 | 176.4 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | M59 P60 A61 F65 E66 K69 E73 | M59-T63 HydrophobicContact CG-CG2 4.29Å; P60-T63 WeakPolarHBondContact O-CB 3.43Å; P60-T63 PolarHBondContact O-N 3.16Å; P60-T63 PolarHBondContact O-OG1 3.39Å; A61-T63 PolarHBondContact O-N 2.88Å; T63-F65 PolarHBondContact O-N 3.35Å; T63-F65 VanDerWaalsContact O-N 3.09Å; T63-E66 PolarHBondContact O-N 2.99Å; T63-K69 HydrophobicContact CG2-CB 4.21Å; T63-K69 HydrophobicContact CG2-CD 3.78Å; T63-K69 HydrophobicContact CG2-CG 3.74Å; T63-K69 WeakPolarHBondContact OG1-CE 3.32Å; T63-K69 PolarHBondContact OG1-NZ 3.38Å; T63-E73 HydrophobicContact CG2-CG 4.32Å |
| 64 | V | 97.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 54.2 Ų | 54.2 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -58.8 | -26 | 179.6 | 174.3 | 0 | 0 | 0 | 0 | 112.4 | M59 A61 D62 L70 P82 Y85 A86 | M59-V64 HydrophobicContact SD-CG2 4.19Å; A61-V64 WeakPolarHBondContact O-CB 3.47Å; A61-V64 PolarHBondContact O-N 2.91Å; D62-V64 PolarHBondContact O-N 2.75Å; V64-L70 HydrophobicContact CG2-CD1 4.39Å; V64-P82 HydrophobicContact CG1-CB 4.41Å; V64-P82 VanDerWaalsContact CG1-O 3.28Å; V64-P82 WeakPolarHBondContact CG1-O 3.36Å; V64-P82 HydrophobicContact CG2-CB 4.11Å; V64-Y85 HydrophobicContact CB-CD1 3.9Å; V64-Y85 HydrophobicContact CB-CE1 4.41Å; V64-Y85 HydrophobicContact CG1-CD1 3.97Å; V64-Y85 HydrophobicContact CG2-CD1 3.81Å; V64-Y85 HydrophobicContact CG2-CE1 4.48Å; V64-A86 HydrophobicContact CG1-CB 3.82Å |
| 65 | F | 96.4 | Very high | 95.5 | Very high | 129 Ų | 129 | 55 Ų | 55 | 57% | 0.566 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -94.7 | -0.8 | 179.2 | -53.7 | -71.1 | 0 | 0 | 0 | 113.3 | D62 T63 Y85 | D62-F65 PolarHBondContact O-N 3.02Å; D62-F65 VanDerWaalsContact O-N 3.1Å; T63-F65 PolarHBondContact O-N 3.35Å; T63-F65 VanDerWaalsContact O-N 3.09Å; F65-Y85 HydrophobicContact CE2-CD1 4.42Å; F65-Y85 AromaticContact CE2-CE1 3.75Å; F65-Y85 HydrophobicContact CE2-CE1 3.75Å; F65-Y85 HydrophobicContact CZ-CD1 4.4Å; F65-Y85 HydrophobicContact CZ-CE1 4.03Å |
| 66 | E | 96.8 | Very high | 95.5 | Very high | 98 Ų | 98 | 56.4 Ų | 56.4 | 46% | 0.458 | 29% | 0.293 | S | S | . | . | trans | -106.3 | 84.6 | 178.1 | -63.9 | -173.1 | -95.5 | 0 | 0 | 110 | T63 E68 K69 L70 | T63-E66 PolarHBondContact O-N 2.99Å; E66-E68 PolarHBondContact O-N 3.23Å; E66-E68 VanDerWaalsContact O-N 3.1Å; E66-K69 HydrophobicContact CB-CB 3.91Å; E66-K69 HydrophobicContact CB-CD 4.43Å; E66-K69 WeakPolarHBondContact O-CB 3.44Å; E66-K69 PolarHBondContact O-N 3.38Å; E66-K69 WeakPolarHBondContact OE1-CD 3.44Å; E66-K69 IonicContact OE1-NZ 3.1Å; E66-K69 PolarHBondContact OE1-NZ 3.36Å; E66-L70 PolarHBondContact O-N 2.86Å | ||
| 67 | K | 93.4 | Very high | 95.7 | Very high | 112 Ų | 112 | 58.2 Ų | 58.2 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -37.2 | -58.9 | -171.9 | 178.2 | -179.8 | 172 | -103.9 | 0 | 115.2 | K69 L70 L71 | K67-K69 VanDerWaalsContact C-N 3.33Å; K67-K69 PolarHBondContact O-N 2.67Å; K67-L70 PolarHBondContact O-N 2.96Å; K67-L71 HydrophobicContact CG-CD1 3.72Å; K67-L71 WeakPolarHBondContact O-CB 3.43Å; K67-L71 WeakPolarHBondContact O-CD1 3.28Å; K67-L71 WeakPolarHBondContact O-CG 3.34Å; K67-L71 PolarHBondContact O-N 3.03Å |
| 68 | E | 94.9 | Very high | 96 | Very high | 130 Ų | 130 | 55.8 Ų | 55.8 | 61% | 0.607 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -67.9 | -35.2 | -174.1 | -58.2 | -54 | 136.7 | 0 | 0 | 112.2 | E66 S72 | E66-E68 PolarHBondContact O-N 3.23Å; E66-E68 VanDerWaalsContact O-N 3.1Å; E68-S72 PolarHBondContact O-N 3.29Å; E68-S72 PolarHBondContact O-OG 3.11Å |
| 69 | K | 96.3 | Very high | 96.3 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.6 | -42 | 178 | -169.3 | -170.6 | 176 | -158.9 | 0 | 111.4 | T63 E66 K67 S72 E73 | T63-K69 HydrophobicContact CG2-CB 4.21Å; T63-K69 HydrophobicContact CG2-CD 3.78Å; T63-K69 HydrophobicContact CG2-CG 3.74Å; T63-K69 WeakPolarHBondContact OG1-CE 3.32Å; T63-K69 PolarHBondContact OG1-NZ 3.38Å; E66-K69 HydrophobicContact CB-CB 3.91Å; E66-K69 HydrophobicContact CB-CD 4.43Å; E66-K69 WeakPolarHBondContact O-CB 3.44Å; E66-K69 PolarHBondContact O-N 3.38Å; E66-K69 WeakPolarHBondContact OE1-CD 3.44Å; E66-K69 IonicContact OE1-NZ 3.1Å; E66-K69 PolarHBondContact OE1-NZ 3.36Å; K67-K69 VanDerWaalsContact C-N 3.33Å; K67-K69 PolarHBondContact O-N 2.67Å; K69-S72 PolarHBondContact O-N 3.37Å; K69-S72 PolarHBondContact O-OG 3.22Å; K69-E73 WeakPolarHBondContact O-CG 3.38Å; K69-E73 PolarHBondContact O-N 3.12Å |
| 70 | L | 96.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.4 | -53.1 | 172.9 | 174.6 | 61.3 | 0 | 0 | 0 | 110 | Y29 M59 V64 E66 K67 S72 E73 L74 P82 | Y29-L70 HydrophobicContact CE2-CD2 4.27Å; Y29-L70 WeakPolarHBondContact OH-CD2 3.26Å; M59-L70 HydrophobicContact CE-CD1 4.04Å; M59-L70 HydrophobicContact SD-CD1 4.19Å; V64-L70 HydrophobicContact CG2-CD1 4.39Å; E66-L70 PolarHBondContact O-N 2.86Å; K67-L70 PolarHBondContact O-N 2.96Å; L70-S72 PolarHBondContact O-N 3.03Å; L70-E73 PolarHBondContact O-N 3.01Å; L70-L74 HydrophobicContact CD1-CD2 3.73Å; L70-L74 HydrophobicContact CD1-CG 4.26Å; L70-L74 HydrophobicContact CG-CD1 4.48Å; L70-L74 HydrophobicContact CG-CD2 4.33Å; L70-L74 HydrophobicContact CG-CG 4.37Å; L70-L74 WeakPolarHBondContact O-CG 3.48Å; L70-L74 PolarHBondContact O-N 2.93Å; L70-P82 HydrophobicContact CD1-CB 3.71Å; L70-P82 HydrophobicContact CD1-CG 4.08Å; L70-P82 HydrophobicContact CD2-CB 4.28Å |
| 71 | L | 95.4 | Very high | 96.5 | Very high | 20 Ų | 20 | 47 Ų | 47 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -30.1 | -175.8 | -67.6 | 164.5 | 0 | 0 | 0 | 113.1 | V25 H26 K67 E73 L74 | V25-L71 HydrophobicContact CB-CD2 4.42Å; V25-L71 HydrophobicContact CG1-CD2 4.07Å; H26-L71 WeakPolarHBondContact CE1-CD1 3.16Å; K67-L71 HydrophobicContact CG-CD1 3.72Å; K67-L71 WeakPolarHBondContact O-CB 3.43Å; K67-L71 WeakPolarHBondContact O-CD1 3.28Å; K67-L71 WeakPolarHBondContact O-CG 3.34Å; K67-L71 PolarHBondContact O-N 3.03Å; L71-E73 VanDerWaalsContact C-N 3.31Å; L71-L74 HydrophobicContact CD2-CD1 4.36Å |
| 72 | S | 94.9 | Very high | 96.4 | Very high | 90 Ų | 90 | 47.1 Ų | 47.1 | 63% | 0.629 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -77 | -14.8 | 174.8 | 59.7 | 0 | 0 | 0 | 0 | 114.7 | E68 K69 L70 | E68-S72 PolarHBondContact O-N 3.29Å; E68-S72 PolarHBondContact O-OG 3.11Å; K69-S72 PolarHBondContact O-N 3.37Å; K69-S72 PolarHBondContact O-OG 3.22Å; L70-S72 PolarHBondContact O-N 3.03Å |
| 73 | E | 95.3 | Very high | 96.5 | Very high | 82 Ų | 82 | 43.1 Ų | 43.1 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -102 | -6.6 | -179.1 | -63.3 | -91.9 | 177.8 | 0 | 0 | 111.8 | M59 T63 K69 L70 L71 | M59-E73 HydrophobicContact CE-CB 3.59Å; T63-E73 HydrophobicContact CG2-CG 4.32Å; K69-E73 WeakPolarHBondContact O-CG 3.38Å; K69-E73 PolarHBondContact O-N 3.12Å; L70-E73 PolarHBondContact O-N 3.01Å; L71-E73 VanDerWaalsContact C-N 3.31Å |
| 74 | L | 96.7 | Very high | 96.5 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | trans | -79.4 | 145.2 | 176.6 | -61.8 | -173.2 | 0 | 0 | 0 | 111 | H22 V25 M59 L70 L71 N78 W79 P82 | H22-L74 HydrophobicContact CB-CB 4.03Å; V25-L74 HydrophobicContact CB-CD1 4.27Å; V25-L74 HydrophobicContact CG1-CD1 4.26Å; V25-L74 HydrophobicContact CG2-CD1 3.93Å; M59-L74 HydrophobicContact CE-CD2 4.45Å; L70-L74 HydrophobicContact CD1-CD2 3.73Å; L70-L74 HydrophobicContact CD1-CG 4.26Å; L70-L74 HydrophobicContact CG-CD1 4.48Å; L70-L74 HydrophobicContact CG-CD2 4.33Å; L70-L74 HydrophobicContact CG-CG 4.37Å; L70-L74 WeakPolarHBondContact O-CG 3.48Å; L70-L74 PolarHBondContact O-N 2.93Å; L71-L74 HydrophobicContact CD2-CD1 4.36Å; L74-N78 VanDerWaalsContact CA-OD1 3.31Å; L74-N78 WeakPolarHBondContact CA-OD1 3.33Å; L74-W79 HydrophobicContact CD1-CB 4.16Å; L74-P82 HydrophobicContact CD2-CB 4.48Å; L74-P82 HydrophobicContact CD2-CG 3.86Å | ||
| 75 | S | 96.6 | Very high | 96.6 | Very high | 45 Ų | 45 | 43 Ų | 43 | 32% | 0.315 | 21% | 0.213 | S | C | . | . | trans | -133.3 | 171 | 168 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | H22 E77 N78 | H22-S75 WeakPolarHBondContact CB-O 3.05Å; S75-E77 WeakPolarHBondContact CB-OE1 3.32Å; S75-E77 WeakPolarHBondContact CB-OE2 2.65Å; S75-E77 PolarHBondContact O-N 3.31Å; S75-E77 PolarHBondContact OG-OE2 3.38Å; S75-N78 WeakPolarHBondContact CB-ND2 3.35Å; S75-N78 PolarHBondContact N-ND2 3.14Å; S75-N78 PolarHBondContact N-OD1 2.95Å; S75-N78 PolarHBondContact O-N 3.12Å; S75-N78 PolarHBondContact O-OD1 3.45Å | ||
| 76 | I | 96.6 | Very high | 96.6 | Very high | 33 Ų | 33 | 37.9 Ų | 37.9 | 17% | 0.169 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -32.5 | -174.3 | 59 | 176.9 | 0 | 0 | 0 | 113.3 | D20 H21 D52 D402 Y404 | D20-I76 HydrophobicContact CB-CG2 3.86Å; H21-I76 HydrophobicContact CB-CB 4.28Å; H21-I76 HydrophobicContact CB-CG2 4.38Å; D52-I76 VanDerWaalsContact CG-O 3.27Å; I76-D402 HydrophobicContact CD1-CB 4.49Å; I76-Y404 HydrophobicContact CD1-CD2 4.11Å; I76-Y404 HydrophobicContact CD1-CE2 3.65Å |
| 77 | E | 95.7 | Very high | 96.6 | Very high | 66 Ų | 66 | 34 Ų | 34 | 31% | 0.308 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -2.7 | -172.9 | 75.9 | -62.1 | 152.4 | 0 | 0 | 115.3 | D52 L53 L54 S75 | D52-E77 CarbonylContact C-O 3.03Å; D52-E77 VanDerWaalsContact CA-O 3.29Å; D52-E77 WeakPolarHBondContact CA-O 3.34Å; L53-E77 PolarHBondContact N-O 3.28Å; L54-E77 HydrophobicContact CB-CG 4.25Å; L54-E77 HydrophobicContact CD1-CG 3.99Å; L54-E77 HydrophobicContact CG-CG 4.48Å; L54-E77 PolarHBondContact N-O 2.91Å; L54-E77 VanDerWaalsContact N-O 3.09Å; S75-E77 WeakPolarHBondContact CB-OE1 3.32Å; S75-E77 WeakPolarHBondContact CB-OE2 2.65Å; S75-E77 PolarHBondContact O-N 3.31Å; S75-E77 PolarHBondContact OG-OE2 3.38Å |
| 78 | N | 96.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -134.8 | 11.8 | -163.6 | 72.1 | 40.3 | 0 | 0 | 0 | 116.3 | L54 P56 L74 S75 P82 | L54-N78 HydrophobicContact CB-CB 4.26Å; L54-N78 VanDerWaalsContact O-CA 3.23Å; L54-N78 WeakPolarHBondContact O-CA 3.48Å; L54-N78 WeakPolarHBondContact O-CB 2.96Å; P56-N78 HydrophobicContact CG-CB 4.37Å; P56-N78 WeakPolarHBondContact CG-ND2 3.41Å; L74-N78 VanDerWaalsContact CA-OD1 3.31Å; L74-N78 WeakPolarHBondContact CA-OD1 3.33Å; S75-N78 WeakPolarHBondContact CB-ND2 3.35Å; S75-N78 PolarHBondContact N-ND2 3.14Å; S75-N78 PolarHBondContact N-OD1 2.95Å; S75-N78 PolarHBondContact O-N 3.12Å; S75-N78 PolarHBondContact O-OD1 3.45Å; N78-P82 WeakPolarHBondContact O-CD 3.42Å |
| 79 | W | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -80.9 | -21.2 | -170.4 | 66.4 | -92.7 | 0 | 0 | 0 | 114.6 | H21 H22 V24 V25 I28 L44 H46 D52 L74 M83 | H21-W79 AromaticContact CD2-CE2 3.81Å; H21-W79 AromaticContact CD2-CZ2 3.82Å; H21-W79 AromaticContact CD2-NE1 3.58Å; H21-W79 AromaticContact CG-NE1 3.64Å; H21-W79 AromaticContact NE2-CZ2 3.62Å; H21-W79 AromaticContact NE2-NE1 3.93Å; H22-W79 HydrophobicContact CB-CB 3.79Å; H22-W79 HydrophobicContact CB-CG 4.25Å; V24-W79 HydrophobicContact CG2-CD2 4.14Å; V24-W79 HydrophobicContact CG2-CE3 4.01Å; V24-W79 HydrophobicContact CG2-CH2 3.85Å; V24-W79 HydrophobicContact CG2-CZ2 4Å; V24-W79 HydrophobicContact CG2-CZ3 3.85Å; V25-W79 HydrophobicContact CG2-CB 3.82Å; V25-W79 HydrophobicContact CG2-CD2 4.18Å; V25-W79 HydrophobicContact CG2-CE3 3.62Å; V25-W79 HydrophobicContact CG2-CG 4.31Å; I28-W79 HydrophobicContact CD1-CZ3 3.97Å; L44-W79 HydrophobicContact CD2-CH2 4.11Å; H46-W79 AromaticContact CE1-CZ2 3.85Å; D52-W79 PolarHBondContact OD2-NE1 2.95Å; L74-W79 HydrophobicContact CD1-CB 4.16Å; W79-M83 HydrophobicContact CE3-SD 4.08Å; W79-M83 HydrophobicContact CZ3-SD 4.01Å |
| 80 | I | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -76.8 | -47 | -174.6 | -60.4 | -180 | 0 | 0 | 0 | 111.8 | L44 D52 L53 M83 V84 L89 M92 | L44-I80 HydrophobicContact CD2-CD1 4.03Å; L44-I80 HydrophobicContact CD2-CG1 4.43Å; L44-I80 HydrophobicContact CD2-CG2 4.46Å; D52-I80 HydrophobicContact CB-CD1 3.81Å; D52-I80 HydrophobicContact CB-CG1 4.24Å; D52-I80 WeakPolarHBondContact O-CB 3.36Å; D52-I80 WeakPolarHBondContact O-CG1 3.47Å; L53-I80 HydrophobicContact CD2-CB 4.03Å; L53-I80 HydrophobicContact CD2-CD1 4.07Å; L53-I80 HydrophobicContact CD2-CG2 3.8Å; I80-M83 WeakPolarHBondContact O-CB 3.34Å; I80-M83 PolarHBondContact O-N 3.4Å; I80-V84 HydrophobicContact CG2-CG2 4.45Å; I80-V84 PolarHBondContact O-N 3.42Å; I80-L89 HydrophobicContact CG2-CD1 4.24Å; I80-M92 HydrophobicContact CD1-CE 3.47Å; I80-M92 VanDerWaalsContact CD1-CE 3.47Å; I80-M92 HydrophobicContact CD1-SD 3.99Å; I80-M92 HydrophobicContact CG2-SD 4.01Å |
| 81 | M | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -39 | -173.3 | -74.8 | -59 | 171 | 0 | 0 | 114.5 | L53 I55 M83 V84 Y85 F110 V112 L123 F130 L148 | L53-M81 HydrophobicContact CB-CE 3.63Å; L53-M81 HydrophobicContact CD1-CE 4.14Å; L53-M81 HydrophobicContact CD2-CE 3.67Å; L53-M81 HydrophobicContact CG-CE 3.97Å; L53-M81 WeakPolarHBondContact O-CE 3.46Å; L53-M81 WeakPolarHBondContact O-CG 3.45Å; I55-M81 HydrophobicContact CD1-CB 3.96Å; I55-M81 HydrophobicContact CD1-CG 4.03Å; I55-M81 HydrophobicContact CG1-CB 3.42Å; I55-M81 VanDerWaalsContact CG1-CB 3.42Å; I55-M81 HydrophobicContact CG1-CG 3.73Å; M81-M83 PolarHBondContact O-N 2.99Å; M81-V84 WeakPolarHBondContact O-CB 3.31Å; M81-V84 PolarHBondContact O-N 3.5Å; M81-V84 HydrophobicContact SD-CG2 4.39Å; M81-Y85 PolarHBondContact O-N 3.44Å; M81-F110 HydrophobicContact CE-CE2 3.66Å; M81-F110 HydrophobicContact CE-CZ 3.6Å; M81-F110 HydrophobicContact SD-CE2 4.23Å; M81-V112 HydrophobicContact SD-CG2 3.73Å; M81-L123 HydrophobicContact CE-CD2 4.33Å; M81-F130 HydrophobicContact CE-CE1 3.95Å; M81-F130 HydrophobicContact CE-CZ 4.05Å; M81-L148 HydrophobicContact CE-CD2 4Å; M81-L148 HydrophobicContact SD-CD2 4.35Å |
| 82 | P | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.5 | -35.6 | 171.6 | -30.3 | 39.6 | 0 | 0 | 0 | 113.4 | M59 V64 L70 L74 N78 V84 Y85 A86 | M59-P82 HydrophobicContact SD-CG 4.46Å; V64-P82 HydrophobicContact CG1-CB 4.41Å; V64-P82 VanDerWaalsContact CG1-O 3.28Å; V64-P82 WeakPolarHBondContact CG1-O 3.36Å; V64-P82 HydrophobicContact CG2-CB 4.11Å; L70-P82 HydrophobicContact CD1-CB 3.71Å; L70-P82 HydrophobicContact CD1-CG 4.08Å; L70-P82 HydrophobicContact CD2-CB 4.28Å; L74-P82 HydrophobicContact CD2-CB 4.48Å; L74-P82 HydrophobicContact CD2-CG 3.86Å; N78-P82 WeakPolarHBondContact O-CD 3.42Å; P82-V84 VanDerWaalsContact C-N 3.34Å; P82-Y85 PolarHBondContact O-N 2.83Å; P82-A86 WeakPolarHBondContact O-CB 3.45Å; P82-A86 PolarHBondContact O-N 3.38Å |
| 83 | M | 97.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69 | -33 | 175.4 | -62.4 | -177 | 35.3 | 0 | 0 | 112.8 | V25 I28 Y29 W79 I80 M81 G87 H88 L89 | V25-M83 HydrophobicContact CG2-SD 4.23Å; I28-M83 HydrophobicContact CD1-CE 4.2Å; I28-M83 HydrophobicContact CD1-SD 4.23Å; I28-M83 HydrophobicContact CG2-CE 3.69Å; I28-M83 HydrophobicContact CG2-SD 4.46Å; Y29-M83 HydrophobicContact CE1-CG 3.92Å; Y29-M83 HydrophobicContact CE1-SD 4.31Å; W79-M83 HydrophobicContact CE3-SD 4.08Å; W79-M83 HydrophobicContact CZ3-SD 4.01Å; I80-M83 WeakPolarHBondContact O-CB 3.34Å; I80-M83 PolarHBondContact O-N 3.4Å; M81-M83 PolarHBondContact O-N 2.99Å; M83-G87 PolarHBondContact O-N 3.18Å; M83-H88 WeakPolarHBondContact O-CB 3.26Å; M83-H88 PolarHBondContact O-N 2.92Å; M83-L89 HydrophobicContact CB-CB 4.4Å; M83-L89 HydrophobicContact CE-CD1 4.36Å; M83-L89 PolarHBondContact O-N 3.09Å |
| 84 | V | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.5 | -50.2 | 173.1 | 177.6 | 0 | 0 | 0 | 0 | 109.8 | I80 M81 P82 A86 G87 L89 V112 K146 L148 | I80-V84 HydrophobicContact CG2-CG2 4.45Å; I80-V84 PolarHBondContact O-N 3.42Å; M81-V84 WeakPolarHBondContact O-CB 3.31Å; M81-V84 PolarHBondContact O-N 3.5Å; M81-V84 HydrophobicContact SD-CG2 4.39Å; P82-V84 VanDerWaalsContact C-N 3.34Å; V84-A86 VanDerWaalsContact C-N 3.32Å; V84-A86 PolarHBondContact O-N 3Å; V84-G87 WeakPolarHBondContact O-CA 3.43Å; V84-G87 PolarHBondContact O-N 3Å; V84-L89 HydrophobicContact CG2-CB 4.16Å; V84-L89 HydrophobicContact CG2-CD2 3.72Å; V84-L89 HydrophobicContact CG2-CG 4.47Å; V84-V112 HydrophobicContact CB-CG2 4.46Å; V84-V112 HydrophobicContact CG1-CB 4.09Å; V84-V112 HydrophobicContact CG1-CG2 3.78Å; V84-K146 HydrophobicContact CG1-CB 4.41Å; V84-K146 WeakPolarHBondContact O-CB 3.31Å; V84-K146 WeakPolarHBondContact O-CG 3.48Å; V84-L148 HydrophobicContact CG1-CB 3.98Å; V84-L148 HydrophobicContact CG2-CD1 4.08Å; V84-L148 HydrophobicContact CG2-CD2 4.17Å |
| 85 | Y | 98.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 15.1 Ų | 15.1 | 2% | 0.016 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.3 | -37 | 179.7 | -177.1 | -116.7 | 0 | 0 | 0 | 112.9 | A61 V64 F65 M81 P82 G87 G113 R114 I121 N144 K146 | A61-Y85 HydrophobicContact CB-CE1 3.82Å; A61-Y85 WeakPolarHBondContact O-CE1 3.27Å; V64-Y85 HydrophobicContact CB-CD1 3.9Å; V64-Y85 HydrophobicContact CB-CE1 4.41Å; V64-Y85 HydrophobicContact CG1-CD1 3.97Å; V64-Y85 HydrophobicContact CG2-CD1 3.81Å; V64-Y85 HydrophobicContact CG2-CE1 4.48Å; F65-Y85 HydrophobicContact CE2-CD1 4.42Å; F65-Y85 AromaticContact CE2-CE1 3.75Å; F65-Y85 HydrophobicContact CE2-CE1 3.75Å; F65-Y85 HydrophobicContact CZ-CD1 4.4Å; F65-Y85 HydrophobicContact CZ-CE1 4.03Å; M81-Y85 PolarHBondContact O-N 3.44Å; P82-Y85 PolarHBondContact O-N 2.83Å; Y85-G87 PolarHBondContact O-N 3.27Å; Y85-G87 VanDerWaalsContact O-N 3.1Å; Y85-G113 VanDerWaalsContact CE2-CA 3.49Å; Y85-R114 WeakPolarHBondContact OH-CB 3.43Å; Y85-I121 HydrophobicContact CD1-CD1 4.2Å; Y85-I121 HydrophobicContact CG-CD1 3.91Å; Y85-I121 HydrophobicContact CG-CG1 4.49Å; Y85-N144 HydrophobicContact CE2-CB 4.32Å; Y85-K146 WeakPolarHBondContact O-CG 3.37Å |
| 86 | A | 97.3 | Very high | 97.2 | Very high | 22 Ų | 22 | 13 Ų | 13 | 18% | 0.182 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -12.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V64 P82 V84 | V64-A86 HydrophobicContact CG1-CB 3.82Å; P82-A86 WeakPolarHBondContact O-CB 3.45Å; P82-A86 PolarHBondContact O-N 3.38Å; V84-A86 VanDerWaalsContact C-N 3.32Å; V84-A86 PolarHBondContact O-N 3Å |
| 87 | G | 96.9 | Very high | 97.3 | Very high | 17 Ų | 17 | 11.5 Ų | 11.5 | 18% | 0.175 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 14.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N40 M83 V84 Y85 | N40-G87 WeakPolarHBondContact CA-O 3.45Å; N40-G87 VanDerWaalsContact CB-O 3.27Å; N40-G87 WeakPolarHBondContact CB-O 3.26Å; M83-G87 PolarHBondContact O-N 3.18Å; V84-G87 WeakPolarHBondContact O-CA 3.43Å; V84-G87 PolarHBondContact O-N 3Å; Y85-G87 PolarHBondContact O-N 3.27Å; Y85-G87 VanDerWaalsContact O-N 3.1Å |
| 88 | H | 96.8 | Very high | 97.2 | Very high | 33 Ų | 33 | 11.5 Ų | 11.5 | 15% | 0.153 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -77.3 | -49 | 177.7 | -65.5 | -40.4 | 0 | 0 | 0 | 111.1 | Y29 I32 L39 N40 N41 I42 M83 | Y29-H88 AromaticContact CE1-CD2 3.89Å; I32-H88 HydrophobicContact CD1-CB 4.22Å; L39-H88 PolarHBondContact O-ND1 3.46Å; N40-H88 CarbonylContact C-O 3.59Å; N41-H88 PolarHBondContact N-O 3.07Å; I42-H88 VanDerWaalsContact CB-O 3.28Å; I42-H88 WeakPolarHBondContact CB-O 3.42Å; I42-H88 HydrophobicContact CD1-CB 4.2Å; I42-H88 WeakPolarHBondContact CG1-O 3.33Å; I42-H88 PolarHBondContact N-O 2.93Å; M83-H88 WeakPolarHBondContact O-CB 3.26Å; M83-H88 PolarHBondContact O-N 2.92Å |
| 89 | L | 96.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 135.7 | -177.1 | -167 | 154 | 0 | 0 | 0 | 110 | L44 I80 M83 V84 M92 L148 | L44-L89 HydrophobicContact CB-CD1 3.67Å; L44-L89 HydrophobicContact CB-CG 4.49Å; L44-L89 HydrophobicContact CD2-CD1 3.74Å; L44-L89 HydrophobicContact CG-CD1 4.33Å; I80-L89 HydrophobicContact CG2-CD1 4.24Å; M83-L89 HydrophobicContact CB-CB 4.4Å; M83-L89 HydrophobicContact CE-CD1 4.36Å; M83-L89 PolarHBondContact O-N 3.09Å; V84-L89 HydrophobicContact CG2-CB 4.16Å; V84-L89 HydrophobicContact CG2-CD2 3.72Å; V84-L89 HydrophobicContact CG2-CG 4.47Å; L89-M92 HydrophobicContact CD2-CB 4.25Å; L89-L148 HydrophobicContact CD2-CD1 3.41Å; L89-L148 VanDerWaalsContact CD2-CD1 3.41Å |
| 90 | S | 93.7 | Very high | 97 | Very high | 22 Ų | 22 | 13 Ų | 13 | 15% | 0.154 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | -6.3 | 177.5 | -48.5 | 0 | 0 | 0 | 0 | 113.1 | I42 R149 | I42-S90 PolarHBondContact O-N 3.11Å; S90-R149 PolarHBondContact O-N 2.9Å |
| 91 | Y | 95.8 | Very high | 96.6 | Very high | 63 Ų | 63 | 19.3 Ų | 19.3 | 25% | 0.247 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 122.2 | -166.9 | -73.1 | -77.9 | 0 | 0 | 0 | 108.1 | R43 L44 R149 F239 | R43-Y91 WeakPolarHBondContact CA-O 3.45Å; R43-Y91 HydrophobicContact CG-CD2 4.43Å; R43-Y91 HydrophobicContact CG-CG 4.32Å; L44-Y91 PolarHBondContact N-O 3.05Å; Y91-R149 WeakPolarHBondContact CA-O 3.18Å; Y91-R149 HydrophobicContact CD1-CB 3.96Å; Y91-R149 HydrophobicContact CE1-CB 4.22Å; Y91-R149 HydrophobicContact CE1-CG 4.38Å; Y91-F239 VanDerWaalsContact C-CZ 3.49Å; Y91-F239 VanDerWaalsContact CB-CE2 3.43Å; Y91-F239 HydrophobicContact CD1-CD2 4.48Å; Y91-F239 HydrophobicContact CD1-CE2 4.17Å; Y91-F239 HydrophobicContact CG-CE2 4.25Å |
| 92 | M | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 140.6 | 176.2 | -178.3 | 176.9 | 173.1 | 0 | 0 | 110.4 | L44 H46 L53 I80 L89 W94 L148 R149 L150 N151 | L44-M92 HydrophobicContact CB-CG 4.32Å; L44-M92 HydrophobicContact CD2-CE 4.32Å; L44-M92 HydrophobicContact CD2-CG 4.21Å; L44-M92 HydrophobicContact CD2-SD 4.15Å; L44-M92 HydrophobicContact CG-CG 4.41Å; L44-M92 CarbonylContact O-C 3.58Å; L44-M92 WeakPolarHBondContact O-CA 3.28Å; H46-M92 HydrophobicContact CB-CE 3.55Å; L53-M92 HydrophobicContact CD2-CE 4.02Å; L53-M92 HydrophobicContact CD2-SD 3.68Å; I80-M92 HydrophobicContact CD1-CE 3.47Å; I80-M92 VanDerWaalsContact CD1-CE 3.47Å; I80-M92 HydrophobicContact CD1-SD 3.99Å; I80-M92 HydrophobicContact CG2-SD 4.01Å; L89-M92 HydrophobicContact CD2-CB 4.25Å; M92-W94 HydrophobicContact CE-CB 4.28Å; M92-L148 HydrophobicContact CB-CD1 4.29Å; M92-R149 PolarHBondContact N-O 3.29Å; M92-L150 HydrophobicContact CB-CD1 4.03Å; M92-L150 HydrophobicContact CG-CD1 3.92Å; M92-L150 CarbonylContact O-C 3.46Å; M92-L150 WeakPolarHBondContact O-CA 3.45Å; M92-L150 HydrophobicContact SD-CD1 3.95Å; M92-N151 PolarHBondContact O-N 3.36Å |
| 93 | V | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.8 | 161.4 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | L44 H46 L95 N151 V153 L236 F239 | L44-V93 PolarHBondContact O-N 3.45Å; H46-V93 PolarHBondContact N-O 3.22Å; V93-L95 HydrophobicContact CG1-CD2 3.74Å; V93-L95 HydrophobicContact CG1-CG 4.39Å; V93-N151 CarbonylContact C-O 3.5Å; V93-N151 VanDerWaalsContact CA-O 3.25Å; V93-N151 WeakPolarHBondContact CA-O 3.19Å; V93-N151 HydrophobicContact CG1-CB 4.32Å; V93-N151 WeakPolarHBondContact CG1-O 3.39Å; V93-N151 HydrophobicContact CG2-CB 4.08Å; V93-V153 HydrophobicContact CG1-CB 4.44Å; V93-V153 HydrophobicContact CG1-CG2 3.87Å; V93-L236 HydrophobicContact CB-CD2 3.83Å; V93-L236 HydrophobicContact CG1-CD2 3.69Å; V93-L236 HydrophobicContact CG2-CD2 3.85Å; V93-F239 HydrophobicContact CG2-CB 4.15Å; V93-F239 HydrophobicContact CG2-CD1 3.63Å; V93-F239 HydrophobicContact CG2-CD2 3.56Å; V93-F239 HydrophobicContact CG2-CE1 3.78Å; V93-F239 HydrophobicContact CG2-CE2 3.65Å; V93-F239 HydrophobicContact CG2-CG 3.54Å; V93-F239 HydrophobicContact CG2-CZ 3.79Å |
| 94 | W | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 112.6 | 169.8 | 179.7 | 30.5 | 0 | 0 | 0 | 108.8 | H46 D48 H50 P51 M92 H96 S100 Q102 I103 L150 N151 I152 V153 | H46-W94 AromaticContact CD2-CD1 3.69Å; D48-W94 PolarHBondContact O-NE1 3.4Å; H50-W94 VanDerWaalsContact C-CZ2 3.46Å; H50-W94 PolarHBondContact O-NE1 2.61Å; H50-W94 VanDerWaalsContact O-NE1 3.1Å; P51-W94 HydrophobicContact CB-CD2 4.03Å; P51-W94 HydrophobicContact CB-CE3 3.83Å; P51-W94 HydrophobicContact CB-CH2 3.84Å; P51-W94 HydrophobicContact CB-CZ2 4.01Å; P51-W94 HydrophobicContact CB-CZ3 3.75Å; P51-W94 HydrophobicContact CG-CH2 4.04Å; P51-W94 HydrophobicContact CG-CZ2 4.37Å; P51-W94 HydrophobicContact CG-CZ3 4.27Å; M92-W94 HydrophobicContact CE-CB 4.28Å; W94-H96 HydrophobicContact CD2-CB 4.04Å; W94-H96 HydrophobicContact CG-CB 4.49Å; W94-H96 HydrophobicContact CH2-CB 4.24Å; W94-H96 HydrophobicContact CZ2-CB 3.64Å; W94-S100 WeakPolarHBondContact CH2-OG 3.32Å; W94-S100 WeakPolarHBondContact CZ2-OG 3.29Å; W94-Q102 HydrophobicContact CH2-CB 4.34Å; W94-I103 HydrophobicContact CZ3-CB 4.01Å; W94-I103 HydrophobicContact CZ3-CD1 4.33Å; W94-I103 HydrophobicContact CZ3-CG1 4.19Å; W94-L150 HydrophobicContact CB-CD1 4.4Å; W94-N151 PolarHBondContact N-O 3Å; W94-I152 HydrophobicContact CE3-CD1 4.07Å; W94-I152 HydrophobicContact CE3-CG1 4.07Å; W94-I152 HydrophobicContact CE3-CG2 3.8Å; W94-I152 HydrophobicContact CZ3-CD1 4.44Å; W94-I152 HydrophobicContact CZ3-CG2 4.2Å; W94-V153 PolarHBondContact O-N 3.04Å |
| 95 | L | 98.6 | Very high | 96 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 104.1 | 171.4 | -60.5 | -171.7 | 0 | 0 | 0 | 107.6 | V45 H46 L47 D48 V93 V153 V155 V232 L236 F254 | V45-L95 HydrophobicContact CG1-CD1 3.79Å; V45-L95 HydrophobicContact CG1-CG 4.17Å; H46-L95 PolarHBondContact O-N 3.4Å; L47-L95 WeakPolarHBondContact CA-O 2.99Å; L47-L95 HydrophobicContact CD1-CD1 3.94Å; L47-L95 HydrophobicContact CG-CB 4.06Å; L47-L95 HydrophobicContact CG-CD1 4.07Å; D48-L95 PolarHBondContact N-O 3.16Å; V93-L95 HydrophobicContact CG1-CD2 3.74Å; V93-L95 HydrophobicContact CG1-CG 4.39Å; L95-V153 WeakPolarHBondContact CA-O 3.4Å; L95-V153 HydrophobicContact CD2-CB 3.81Å; L95-V153 HydrophobicContact CD2-CG1 4.19Å; L95-V155 HydrophobicContact CB-CG2 3.91Å; L95-V155 HydrophobicContact CD2-CG2 4.36Å; L95-V232 HydrophobicContact CD1-CG1 4.4Å; L95-V232 HydrophobicContact CD2-CG1 3.88Å; L95-L236 HydrophobicContact CD1-CD1 4.12Å; L95-L236 HydrophobicContact CD2-CD1 4.34Å; L95-L236 HydrophobicContact CD2-CD2 4.48Å; L95-F254 WeakPolarHBondContact O-CD2 3.31Å; L95-F254 VanDerWaalsContact O-CE2 3.26Å; L95-F254 WeakPolarHBondContact O-CE2 3.16Å |
| 96 | H | 98.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 147.6 | -177 | 70.8 | 98.9 | 0 | 0 | 0 | 110.8 | W94 S100 E105 I152 V153 K154 V155 | W94-H96 HydrophobicContact CD2-CB 4.04Å; W94-H96 HydrophobicContact CG-CB 4.49Å; W94-H96 HydrophobicContact CH2-CB 4.24Å; W94-H96 HydrophobicContact CZ2-CB 3.64Å; H96-S100 PolarHBondContact CE1-O 3.08Å; H96-S100 VanDerWaalsContact CE1-O 3.3Å; H96-S100 PolarHBondContact ND1-O 3.2Å; H96-E105 IonicContact CE1-OE1 3.95Å; H96-E105 VanDerWaalsContact NE2-CG 3.35Å; H96-E105 WeakPolarHBondContact NE2-CG 3.38Å; H96-I152 VanDerWaalsContact CD2-CG2 3.47Å; H96-I152 WeakPolarHBondContact CD2-CG2 3.48Å; H96-V153 VanDerWaalsContact CD2-C 3.48Å; H96-V153 PolarHBondContact N-O 3.3Å; H96-K154 WeakPolarHBondContact NE2-CA 3.23Å; H96-K154 PolarHBondContact NE2-N 2.7Å; H96-K154 VanDerWaalsContact NE2-N 3.15Å; H96-K154 CarbonylContact O-C 3.6Å; H96-K154 WeakPolarHBondContact O-CA 3.27Å; H96-V155 PolarHBondContact O-N 3.14Å |
| 97 | P | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 161.3 | 172.7 | 32.9 | -35.4 | 0 | 0 | 0 | 110.7 | D48 W99 S100 F254 | D48-P97 WeakPolarHBondContact O-CD 3.5Å; P97-W99 HydrophobicContact CB-CD2 3.63Å; P97-W99 HydrophobicContact CB-CE3 3.77Å; P97-W99 HydrophobicContact CB-CG 4.41Å; P97-W99 HydrophobicContact CB-CH2 3.59Å; P97-W99 HydrophobicContact CB-CZ2 3.39Å; P97-W99 HydrophobicContact CB-CZ3 3.75Å; P97-W99 HydrophobicContact CG-CD2 3.75Å; P97-W99 HydrophobicContact CG-CE3 4.4Å; P97-W99 HydrophobicContact CG-CG 4.21Å; P97-W99 HydrophobicContact CG-CH2 4.13Å; P97-W99 HydrophobicContact CG-CZ2 3.39Å; P97-W99 PolarHBondContact O-N 3.4Å; P97-S100 PolarHBondContact O-N 3.37Å; P97-F254 HydrophobicContact CB-CE2 4.42Å; P97-F254 HydrophobicContact CG-CD2 4.37Å |
| 98 | Y | 93.8 | Very high | 95.8 | Very high | 67 Ų | 67 | 31.5 Ų | 31.5 | 26% | 0.263 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -15.5 | -173.3 | 64.4 | -96.3 | 0 | 0 | 0 | 115.5 | P157 H367 E373 | Y98-P157 HydrophobicContact CE1-CG 4.15Å; Y98-H367 AromaticContact CZ-NE2 3.99Å; Y98-H367 PolarHBondContact OH-CE1 3.43Å; Y98-H367 VanDerWaalsContact OH-CE1 3.3Å; Y98-H367 PolarHBondContact OH-NE2 3.25Å; Y98-H367 VanDerWaalsContact OH-NE2 3.08Å; Y98-E373 PolarHBondContact OH-OE1 2.85Å |
| 99 | W | 95.2 | Very high | 95.8 | Very high | 34 Ų | 34 | 34 Ų | 34 | 13% | 0.129 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -15.2 | 177.6 | 58.6 | 76.5 | 0 | 0 | 0 | 113.6 | S49 P97 F254 H367 S369 L377 | S49-W99 PolarHBondContact OG-NE1 2.94Å; P97-W99 HydrophobicContact CB-CD2 3.63Å; P97-W99 HydrophobicContact CB-CE3 3.77Å; P97-W99 HydrophobicContact CB-CG 4.41Å; P97-W99 HydrophobicContact CB-CH2 3.59Å; P97-W99 HydrophobicContact CB-CZ2 3.39Å; P97-W99 HydrophobicContact CB-CZ3 3.75Å; P97-W99 HydrophobicContact CG-CD2 3.75Å; P97-W99 HydrophobicContact CG-CE3 4.4Å; P97-W99 HydrophobicContact CG-CG 4.21Å; P97-W99 HydrophobicContact CG-CH2 4.13Å; P97-W99 HydrophobicContact CG-CZ2 3.39Å; P97-W99 PolarHBondContact O-N 3.4Å; W99-F254 WeakPolarHBondContact CH2-O 3.44Å; W99-F254 WeakPolarHBondContact CZ2-O 3.18Å; W99-H367 HydrophobicContact CB-CB 3.86Å; W99-H367 HydrophobicContact CD2-CB 3.61Å; W99-H367 AromaticContact CD2-CD2 3.59Å; W99-H367 AromaticContact CD2-CG 3.71Å; W99-H367 HydrophobicContact CE3-CB 4.09Å; W99-H367 AromaticContact CE3-CD2 3.15Å; W99-H367 AromaticContact CE3-CG 3.64Å; W99-H367 AromaticContact CE3-NE2 3.79Å; W99-H367 HydrophobicContact CG-CB 3.52Å; W99-H367 AromaticContact CG-CG 4Å; W99-H367 AromaticContact CH2-CD2 3.8Å; W99-H367 AromaticContact CZ3-CD2 3.27Å; W99-H367 WeakPolarHBondContact CZ3-CD2 3.36Å; W99-H367 AromaticContact CZ3-NE2 3.78Å; W99-S369 WeakPolarHBondContact CH2-OG 3.46Å; W99-L377 HydrophobicContact CH2-CD1 3.49Å; W99-L377 VanDerWaalsContact CH2-CD1 3.49Å; W99-L377 HydrophobicContact CZ3-CD1 3.91Å |
| 100 | S | 94.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -91.4 | 126.7 | 175.3 | -179 | 0 | 0 | 0 | 0 | 110.1 | S49 W94 H96 P97 | S49-S100 WeakPolarHBondContact O-CB 3.35Å; S49-S100 PolarHBondContact O-OG 2.9Å; W94-S100 WeakPolarHBondContact CH2-OG 3.32Å; W94-S100 WeakPolarHBondContact CZ2-OG 3.29Å; H96-S100 PolarHBondContact CE1-O 3.08Å; H96-S100 VanDerWaalsContact CE1-O 3.3Å; H96-S100 PolarHBondContact ND1-O 3.2Å; P97-S100 PolarHBondContact O-N 3.37Å | ||
| 101 | Q | 90.8 | Very high | 96.2 | Very high | 134 Ų | 134 | 35 Ų | 35 | 63% | 0.626 | 18% | 0.178 | S | C | * | . | trans | -140 | 20.8 | -174.6 | -62 | -176.4 | -9.4 | 0 | 0 | 112.2 | I103 | Q101-I103 PolarHBondContact O-N 2.83Š| ||
| 102 | Q | 93.8 | Very high | 96.3 | Very high | 18 Ų | 18 | 32 Ų | 32 | 8% | 0.084 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -65.3 | -23.3 | -173.9 | -66.5 | 174.4 | -91.4 | 0 | 0 | 113.6 | S49 H50 P51 W94 Y129 | S49-Q102 PolarHBondContact O-OE1 3.27Å; H50-Q102 PolarHBondContact CD2-OE1 2.64Å; P51-Q102 VanDerWaalsContact CD-OE1 3.3Å; P51-Q102 HydrophobicContact CG-CB 4.49Å; W94-Q102 HydrophobicContact CH2-CB 4.34Å; Q102-Y129 HydrophobicContact CB-CD2 4.17Å |
| 103 | I | 95.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -137.9 | 142.4 | 172.7 | -48.9 | 173.1 | 0 | 0 | 0 | 107.8 | P51 L53 W94 Q101 E127 Y129 I152 | P51-I103 HydrophobicContact CB-CD1 3.78Å; P51-I103 HydrophobicContact CG-CD1 4.03Å; P51-I103 HydrophobicContact CG-CG1 4.44Å; L53-I103 HydrophobicContact CD1-CD1 3.98Å; W94-I103 HydrophobicContact CZ3-CB 4.01Å; W94-I103 HydrophobicContact CZ3-CD1 4.33Å; W94-I103 HydrophobicContact CZ3-CG1 4.19Å; Q101-I103 PolarHBondContact O-N 2.83Å; I103-E127 HydrophobicContact CG2-CB 4.25Å; I103-E127 HydrophobicContact CG2-CG 3.86Å; I103-Y129 HydrophobicContact CD1-CD1 3.71Å; I103-Y129 HydrophobicContact CD1-CD2 4.36Å; I103-Y129 HydrophobicContact CD1-CE1 4.17Å; I103-Y129 HydrophobicContact CD1-CG 3.82Å; I103-Y129 HydrophobicContact CG1-CD1 4.06Å; I103-Y129 HydrophobicContact CG1-CD2 4.02Å; I103-Y129 HydrophobicContact CG1-CG 3.62Å; I103-I152 HydrophobicContact CB-CD1 3.48Å; I103-I152 VanDerWaalsContact CB-CD1 3.48Å; I103-I152 HydrophobicContact CD1-CD1 4.39Å; I103-I152 HydrophobicContact CG2-CD1 3.2Å |
| 104 | S | 93.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 34.6 Ų | 34.6 | 39% | 0.385 | 18% | 0.176 | S | C | . | . | trans | -63.4 | 140 | -175.9 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | H108 E127 I152 | S104-H108 PolarHBondContact O-NE2 2.54Å; S104-H108 PolarHBondContact OG-CE1 3.46Å; S104-H108 VanDerWaalsContact OG-CE1 3.29Å; S104-E127 PolarHBondContact OG-OE2 2.58Å; S104-I152 WeakPolarHBondContact O-CD1 3.45Å | ||
| 105 | E | 95.8 | Very high | 96.3 | Very high | 67 Ų | 67 | 34.9 Ų | 34.9 | 31% | 0.313 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -63.1 | 142.8 | 176.1 | -63.7 | 102.9 | 136 | 0 | 0 | 112.3 | H96 I152 K154 | H96-E105 IonicContact CE1-OE1 3.95Å; H96-E105 VanDerWaalsContact NE2-CG 3.35Å; H96-E105 WeakPolarHBondContact NE2-CG 3.38Å; E105-I152 HydrophobicContact CG-CG2 4.29Å; E105-K154 HydrophobicContact CG-CB 4.3Å; E105-K154 IonicContact OE1-NZ 2.98Å; E105-K154 PolarHBondContact OE1-NZ 3.11Å |
| 106 | G | 95.2 | Very high | 96.2 | Very high | 26 Ų | 26 | 37 Ų | 37 | 27% | 0.268 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.9 | -171.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | N151 I152 | G106-N151 CarbonylContact O-C 3.48Å; G106-N151 WeakPolarHBondContact O-CA 3.16Å; G106-N151 PolarHBondContact O-OD1 2.94Å; G106-I152 PolarHBondContact N-O 3.08Å; G106-I152 VanDerWaalsContact N-O 3.11Å; G106-I152 PolarHBondContact O-N 2.9Å |
| 107 | E | 96.1 | Very high | 96.1 | Very high | 107 Ų | 107 | 41 Ų | 41 | 50% | 0.5 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 125.4 | 175 | -176.5 | 171.3 | -171.3 | 0 | 0 | 110.1 | R149 | E107-R149 IonicContact OE1-CZ 3.87Å; E107-R149 IonicContact OE1-NE 3.91Å; E107-R149 PolarHBondContact OE1-NE 3.1Å; E107-R149 IonicContact OE1-NH2 3.18Å; E107-R149 PolarHBondContact OE1-NH2 3.12Å |
| 108 | H | 97.2 | Very high | 96 | Very high | 23 Ų | 23 | 44.2 Ų | 44.2 | 11% | 0.106 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 139.6 | 178.3 | -63.7 | -83.9 | 0 | 0 | 0 | 108.9 | S104 E127 L150 | S104-H108 PolarHBondContact O-NE2 2.54Å; S104-H108 PolarHBondContact OG-CE1 3.46Å; S104-H108 VanDerWaalsContact OG-CE1 3.29Å; H108-E127 IonicContact CE1-OE1 3.76Å; H108-E127 PolarHBondContact CE1-OE1 3.18Å; H108-E127 VanDerWaalsContact CE1-OE1 3.31Å; H108-E127 IonicContact CE1-OE2 3.62Å; H108-E127 IonicContact ND1-OE1 3.9Å; H108-L150 HydrophobicContact CB-CB 4.14Å; H108-L150 HydrophobicContact CB-CD2 4.41Å; H108-L150 PolarHBondContact N-O 3.09Å; H108-L150 PolarHBondContact O-N 2.78Å |
| 109 | T | 97.5 | Very high | 96.1 | Very high | 87 Ų | 87 | 43.9 Ų | 43.9 | 53% | 0.534 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 124.3 | 173.4 | -61.5 | 0 | 0 | 0 | 0 | 109.1 | L148 R149 | T109-L148 WeakPolarHBondContact CA-O 3.33Å; T109-R149 HydrophobicContact CG2-CG 4.3Å |
| 110 | F | 98.1 | Very high | 96.2 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 169.9 | 178.4 | 56 | -92 | 0 | 0 | 0 | 110.1 | M81 V112 L123 F130 S147 L148 L150 | M81-F110 HydrophobicContact CE-CE2 3.66Å; M81-F110 HydrophobicContact CE-CZ 3.6Å; M81-F110 HydrophobicContact SD-CE2 4.23Å; F110-V112 HydrophobicContact CD2-CG2 4.19Å; F110-V112 HydrophobicContact CE2-CG2 4Å; F110-L123 HydrophobicContact CD2-CB 4.19Å; F110-L123 HydrophobicContact CE2-CB 4.45Å; F110-L123 HydrophobicContact CE2-CD2 4.11Å; F110-F130 HydrophobicContact CE1-CE2 4.23Å; F110-F130 HydrophobicContact CE1-CZ 4.31Å; F110-F130 HydrophobicContact CE2-CZ 4.42Å; F110-F130 HydrophobicContact CZ-CE2 4.13Å; F110-F130 AromaticContact CZ-CZ 3.79Å; F110-F130 HydrophobicContact CZ-CZ 3.79Å; F110-S147 WeakPolarHBondContact O-CA 3.28Å; F110-L148 HydrophobicContact CE1-CD2 4.36Å; F110-L148 HydrophobicContact CE2-CB 4.41Å; F110-L148 HydrophobicContact CE2-CD2 4.04Å; F110-L148 HydrophobicContact CZ-CD2 3.67Å; F110-L148 HydrophobicContact CZ-CG 4.49Å; F110-L148 PolarHBondContact N-O 3.01Å; F110-L148 PolarHBondContact O-N 3.48Å; F110-L150 HydrophobicContact CE1-CB 4.42Å; F110-L150 HydrophobicContact CE1-CD2 4.2Å |
| 111 | N | 98.3 | Very high | 96.4 | Very high | 38 Ų | 38 | 42.9 Ų | 42.9 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 145 | -179.5 | -73 | -28.5 | 0 | 0 | 0 | 110.2 | L123 T124 D139 L142 S145 K146 S147 | N111-L123 CarbonylContact O-C 3.11Å; N111-L123 WeakPolarHBondContact O-CA 3.34Å; N111-L123 VanDerWaalsContact O-CB 3.26Å; N111-L123 WeakPolarHBondContact O-CB 3.38Å; N111-T124 HydrophobicContact CB-CG2 3.89Å; N111-T124 PolarHBondContact N-OG1 3.42Å; N111-T124 PolarHBondContact O-N 2.88Å; N111-D139 PolarHBondContact ND2-OD1 3.07Å; N111-L142 HydrophobicContact CB-CD2 3.71Å; N111-S145 WeakPolarHBondContact CB-OG 3.18Å; N111-K146 CarbonylContact C-O 3.55Å; N111-K146 WeakPolarHBondContact CA-O 3.38Å; N111-S147 WeakPolarHBondContact OD1-CA 3.43Å; N111-S147 WeakPolarHBondContact OD1-CB 3.45Å |
| 112 | V | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.3 | 172.4 | -173.3 | 0 | 0 | 0 | 0 | 108 | M81 V84 F110 I121 R122 L123 S145 K146 | M81-V112 HydrophobicContact SD-CG2 3.73Å; V84-V112 HydrophobicContact CB-CG2 4.46Å; V84-V112 HydrophobicContact CG1-CB 4.09Å; V84-V112 HydrophobicContact CG1-CG2 3.78Å; F110-V112 HydrophobicContact CD2-CG2 4.19Å; F110-V112 HydrophobicContact CE2-CG2 4Å; V112-I121 HydrophobicContact CG1-CD1 3.77Å; V112-I121 HydrophobicContact CG1-CG1 3.84Å; V112-R122 WeakPolarHBondContact CA-O 3.4Å; V112-L123 HydrophobicContact CG2-CB 4.17Å; V112-S145 CarbonylContact O-C 3.58Å; V112-S145 WeakPolarHBondContact O-CA 3.43Å; V112-K146 PolarHBondContact N-O 3.09Å; V112-K146 PolarHBondContact O-N 3.14Å |
| 113 | G | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164 | -175.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y85 I121 R122 L142 E143 | Y85-G113 VanDerWaalsContact CE2-CA 3.49Å; G113-I121 WeakPolarHBondContact O-CA 3.5Å; G113-R122 PolarHBondContact N-O 3.46Å; G113-R122 PolarHBondContact O-N 3.45Å; G113-L142 VanDerWaalsContact C-CD1 3.42Å; G113-L142 VanDerWaalsContact CA-CD1 3.47Å; G113-E143 WeakPolarHBondContact CA-O 3.49Å |
| 114 | R | 98.4 | Very high | 97.1 | Very high | 53 Ų | 53 | 37.8 Ų | 37.8 | 20% | 0.2 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 122.1 | 174.1 | 174.5 | 179.3 | -178.9 | 147.4 | 2.4 | 108.6 | A61 D62 Y85 S116 T120 E143 | A61-R114 HydrophobicContact CB-CB 3.65Å; A61-R114 HydrophobicContact CB-CG 3.7Å; D62-R114 VanDerWaalsContact CG-NH1 3.29Å; D62-R114 IonicContact OD1-NH1 3.61Å; D62-R114 PolarHBondContact OD1-NH1 2.91Å; D62-R114 IonicContact OD2-CZ 3.24Å; D62-R114 IonicContact OD2-NH1 2.82Å; D62-R114 PolarHBondContact OD2-NH1 3.21Å; D62-R114 IonicContact OD2-NH2 2.93Å; Y85-R114 WeakPolarHBondContact OH-CB 3.43Å; R114-S116 PolarHBondContact O-N 3.02Å; R114-T120 WeakPolarHBondContact CA-O 3.32Å; R114-E143 HydrophobicContact CB-CB 4.34Å; R114-E143 PolarHBondContact N-O 3.45Å; R114-E143 WeakPolarHBondContact O-CB 3.49Å; R114-E143 PolarHBondContact O-N 2.73Å |
| 115 | D | 97.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 123.6 | 169.6 | 167.3 | 21.6 | 0 | 0 | 0 | 109.8 | S117 T118 T119 T120 R122 | D115-S117 VanDerWaalsContact CG-OG 3.24Å; D115-S117 PolarHBondContact O-N 3.16Å; D115-S117 WeakPolarHBondContact OD1-CB 3.18Å; D115-S117 PolarHBondContact OD1-N 2.87Å; D115-S117 PolarHBondContact OD1-OG 3.43Å; D115-S117 PolarHBondContact OD2-OG 2.97Å; D115-T118 WeakPolarHBondContact OD2-CB 3.22Å; D115-T118 VanDerWaalsContact OD2-CG2 3.25Å; D115-T118 WeakPolarHBondContact OD2-CG2 3.4Å; D115-T118 PolarHBondContact OD2-N 2.96Å; D115-T118 VanDerWaalsContact OD2-N 3.16Å; D115-T118 PolarHBondContact OD2-OG1 2.73Å; D115-T119 WeakPolarHBondContact O-CA 3.49Å; D115-T119 PolarHBondContact O-N 3.36Å; D115-T120 PolarHBondContact N-O 2.75Å; D115-R122 HydrophobicContact CB-CB 4.17Å; D115-R122 HydrophobicContact CB-CG 3.8Å |
| 116 | S | 97.1 | Very high | 97.2 | Very high | 52 Ų | 52 | 36 Ų | 36 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23 | 179.3 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | R114 L141 E143 | R114-S116 PolarHBondContact O-N 3.02Å; S116-L141 WeakPolarHBondContact CB-O 3.4Å; S116-L141 PolarHBondContact N-O 3.2Å; S116-L141 PolarHBondContact OG-O 2.74Å; S116-L141 VanDerWaalsContact OG-O 3.13Å; S116-E143 WeakPolarHBondContact CB-OE1 3.48Å |
| 117 | S | 95 | Very high | 97.2 | Very high | 85 Ų | 85 | 36.8 Ų | 36.8 | 59% | 0.594 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -45.4 | -177.9 | 75.6 | 0 | 0 | 0 | 0 | 112.9 | D115 | D115-S117 VanDerWaalsContact CG-OG 3.24Å; D115-S117 PolarHBondContact O-N 3.16Å; D115-S117 WeakPolarHBondContact OD1-CB 3.18Å; D115-S117 PolarHBondContact OD1-N 2.87Å; D115-S117 PolarHBondContact OD1-OG 3.43Å; D115-S117 PolarHBondContact OD2-OG 2.97Å |
| 118 | T | 95.4 | Very high | 97.1 | Very high | 66 Ų | 66 | 33.5 Ų | 33.5 | 41% | 0.405 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -15.7 | -178 | 64 | 0 | 0 | 0 | 0 | 114.2 | D115 T120 | D115-T118 WeakPolarHBondContact OD2-CB 3.22Å; D115-T118 VanDerWaalsContact OD2-CG2 3.25Å; D115-T118 WeakPolarHBondContact OD2-CG2 3.4Å; D115-T118 PolarHBondContact OD2-N 2.96Å; D115-T118 VanDerWaalsContact OD2-N 3.16Å; D115-T118 PolarHBondContact OD2-OG1 2.73Å; T118-T120 PolarHBondContact O-N 2.85Å; T118-T120 PolarHBondContact OG1-N 3.31Å; T118-T120 PolarHBondContact OG1-OG1 2.96Å |
| 119 | T | 96.9 | Very high | 97.1 | Very high | 61 Ų | 61 | 33.4 Ų | 33.4 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | trans | 65 | 6.1 | -171 | 74.8 | 0 | 0 | 0 | 0 | 115.7 | A61 D115 | A61-T119 PolarHBondContact N-O 3.36Å; D115-T119 WeakPolarHBondContact O-CA 3.49Å; D115-T119 PolarHBondContact O-N 3.36Å | ||
| 120 | T | 97.4 | Very high | 97 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 8% | 0.08 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -86.5 | 166.1 | 177 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | M59 R114 D115 T118 R122 | M59-T120 VanDerWaalsContact O-CA 3.25Å; M59-T120 WeakPolarHBondContact O-CA 3.45Å; M59-T120 VanDerWaalsContact O-CB 3.3Å; M59-T120 WeakPolarHBondContact O-CB 3.35Å; R114-T120 WeakPolarHBondContact CA-O 3.32Å; D115-T120 PolarHBondContact N-O 2.75Å; T118-T120 PolarHBondContact O-N 2.85Å; T118-T120 PolarHBondContact OG1-N 3.31Å; T118-T120 PolarHBondContact OG1-OG1 2.96Å; T120-R122 PolarHBondContact OG1-NH1 3.01Å; T120-R122 PolarHBondContact OG1-NH2 2.79Å |
| 121 | I | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 129.7 | 173.2 | 174 | 171.9 | 0 | 0 | 0 | 110.2 | I55 M59 Y85 V112 G113 | I55-I121 HydrophobicContact CD1-CD1 4.43Å; I55-I121 HydrophobicContact CD1-CG1 4.06Å; I55-I121 HydrophobicContact CG2-CB 4.15Å; I55-I121 HydrophobicContact CG2-CD1 4.45Å; I55-I121 HydrophobicContact CG2-CG1 4.12Å; I55-I121 HydrophobicContact CG2-CG2 3.26Å; M59-I121 HydrophobicContact CB-CG2 4.03Å; M59-I121 HydrophobicContact CG-CG2 4.18Å; M59-I121 PolarHBondContact O-N 3.31Å; M59-I121 HydrophobicContact SD-CG2 4.11Å; Y85-I121 HydrophobicContact CD1-CD1 4.2Å; Y85-I121 HydrophobicContact CG-CD1 3.91Å; Y85-I121 HydrophobicContact CG-CG1 4.49Å; V112-I121 HydrophobicContact CG1-CD1 3.77Å; V112-I121 HydrophobicContact CG1-CG1 3.84Å; G113-I121 WeakPolarHBondContact O-CA 3.5Å |
| 122 | R | 97.9 | Very high | 96.8 | Very high | 21 Ų | 21 | 27.5 Ų | 27.5 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 174 | -179 | -69.3 | -65.6 | -179 | -88.4 | -1.4 | 110.7 | V57 V112 G113 D115 T120 L135 V137 L142 | V57-R122 VanDerWaalsContact CG1-NH2 3.33Å; V57-R122 VanDerWaalsContact O-CZ 3.3Å; V57-R122 PolarHBondContact O-NH1 3.13Å; V57-R122 PolarHBondContact O-NH2 3.35Å; V112-R122 WeakPolarHBondContact CA-O 3.4Å; G113-R122 PolarHBondContact N-O 3.46Å; G113-R122 PolarHBondContact O-N 3.45Å; D115-R122 HydrophobicContact CB-CB 4.17Å; D115-R122 HydrophobicContact CB-CG 3.8Å; T120-R122 PolarHBondContact OG1-NH1 3.01Å; T120-R122 PolarHBondContact OG1-NH2 2.79Å; R122-L135 VanDerWaalsContact CD-O 3.25Å; R122-L135 WeakPolarHBondContact CD-O 3.48Å; R122-V137 HydrophobicContact CB-CB 4.24Å; R122-V137 HydrophobicContact CB-CG1 3.68Å; R122-V137 HydrophobicContact CG-CG1 4.49Å; R122-L142 HydrophobicContact CB-CD1 4.3Å |
| 123 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 166.9 | -178.2 | 59.7 | 78.2 | 0 | 0 | 0 | 113.2 | I55 M81 F110 N111 V112 S125 F130 L135 Y136 V137 | I55-L123 HydrophobicContact CD1-CD2 3.76Å; I55-L123 HydrophobicContact CD1-CG 4.36Å; M81-L123 HydrophobicContact CE-CD2 4.33Å; F110-L123 HydrophobicContact CD2-CB 4.19Å; F110-L123 HydrophobicContact CE2-CB 4.45Å; F110-L123 HydrophobicContact CE2-CD2 4.11Å; N111-L123 CarbonylContact O-C 3.11Å; N111-L123 WeakPolarHBondContact O-CA 3.34Å; N111-L123 VanDerWaalsContact O-CB 3.26Å; N111-L123 WeakPolarHBondContact O-CB 3.38Å; V112-L123 HydrophobicContact CG2-CB 4.17Å; L123-S125 VanDerWaalsContact CD1-CB 3.5Å; L123-S125 VanDerWaalsContact CD1-N 3.27Å; L123-F130 HydrophobicContact CD1-CB 3.76Å; L123-F130 HydrophobicContact CD1-CD1 3.98Å; L123-F130 HydrophobicContact CD1-CD2 4.18Å; L123-F130 HydrophobicContact CD1-CG 3.71Å; L123-F130 HydrophobicContact CD2-CD1 3.4Å; L123-F130 HydrophobicContact CD2-CE1 3.54Å; L123-F130 HydrophobicContact CD2-CG 4.02Å; L123-F130 HydrophobicContact CD2-CZ 4.3Å; L123-F130 HydrophobicContact CG-CD1 4.26Å; L123-F130 HydrophobicContact CG-CG 4.47Å; L123-L135 HydrophobicContact CG-CB 4.35Å; L123-L135 PolarHBondContact N-O 3.12Å; L123-Y136 CarbonylContact O-C 3.55Å; L123-Y136 VanDerWaalsContact O-CA 3.27Å; L123-Y136 WeakPolarHBondContact O-CA 3.47Å; L123-V137 PolarHBondContact O-N 3.32Å |
| 124 | T | 98.1 | Very high | 96.4 | Very high | 28 Ų | 28 | 29.3 Ų | 29.3 | 17% | 0.172 | 17% | 0.169 | C | C | . | . | trans | -103.6 | 10.3 | -175.8 | 68.8 | 0 | 0 | 0 | 0 | 114 | N111 D139 L142 | N111-T124 HydrophobicContact CB-CG2 3.89Å; N111-T124 PolarHBondContact N-OG1 3.42Å; N111-T124 PolarHBondContact O-N 2.88Å; T124-D139 HydrophobicContact CG2-CB 4.28Å; T124-L142 HydrophobicContact CG2-CD2 3.73Å | ||
| 125 | S | 97.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 6% | 0.056 | 16% | 0.16 | C | C | . | . | trans | -74.7 | 136.8 | -178.1 | -171.7 | 0 | 0 | 0 | 0 | 111 | L123 E127 F130 Y136 | L123-S125 VanDerWaalsContact CD1-CB 3.5Å; L123-S125 VanDerWaalsContact CD1-N 3.27Å; S125-E127 PolarHBondContact OG-N 3.5Å; S125-F130 VanDerWaalsContact OG-CD2 3.25Å; S125-F130 WeakPolarHBondContact OG-CD2 3.44Å; S125-F130 WeakPolarHBondContact OG-CE2 3.44Å; S125-Y136 WeakPolarHBondContact O-CD2 3.21Å | ||
| 126 | T | 95.9 | Very high | 96.4 | Very high | 75 Ų | 75 | 27.7 Ų | 27.7 | 46% | 0.46 | 16% | 0.163 | S | C | . | . | trans | -100 | 9 | 179.9 | 64.9 | 0 | 0 | 0 | 0 | 112.9 | L131 Y136 L291 | T126-L131 VanDerWaalsContact O-CD1 3.31Å; T126-L131 WeakPolarHBondContact O-CD1 3.22Å; T126-Y136 HydrophobicContact CG2-CD2 4.45Å; T126-Y136 HydrophobicContact CG2-CE2 3.98Å; T126-L291 HydrophobicContact CG2-CD1 3.59Å; T126-L291 HydrophobicContact CG2-CD2 4.48Å | ||
| 127 | E | 94.9 | Very high | 96.4 | Very high | 43 Ų | 43 | 26 Ų | 26 | 20% | 0.201 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -67 | 140 | 173.3 | -64.4 | -67.6 | 121.3 | 0 | 0 | 109.8 | I103 S104 H108 S125 Y129 F130 L131 | I103-E127 HydrophobicContact CG2-CB 4.25Å; I103-E127 HydrophobicContact CG2-CG 3.86Å; S104-E127 PolarHBondContact OG-OE2 2.58Å; H108-E127 IonicContact CE1-OE1 3.76Å; H108-E127 PolarHBondContact CE1-OE1 3.18Å; H108-E127 VanDerWaalsContact CE1-OE1 3.31Å; H108-E127 IonicContact CE1-OE2 3.62Å; H108-E127 IonicContact ND1-OE1 3.9Å; S125-E127 PolarHBondContact OG-N 3.5Å; E127-Y129 PolarHBondContact O-N 3.37Å; E127-Y129 VanDerWaalsContact O-N 3.1Å; E127-F130 HydrophobicContact CB-CD2 3.99Å; E127-F130 HydrophobicContact CB-CE2 4.33Å; E127-F130 PolarHBondContact O-N 3.47Å; E127-L131 PolarHBondContact O-N 3.1Å |
| 128 | N | 94.5 | Very high | 96.4 | Very high | 38 Ų | 38 | 22.3 Ų | 22.3 | 20% | 0.203 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.9 | -31.5 | -178.6 | -70.9 | -27.7 | 0 | 0 | 0 | 112.8 | F130 L131 S132 F279 E281 | N128-F130 PolarHBondContact O-N 3.11Å; N128-F130 VanDerWaalsContact O-N 3.16Å; N128-L131 PolarHBondContact O-N 2.72Å; N128-S132 VanDerWaalsContact O-CB 3.23Å; N128-S132 WeakPolarHBondContact O-CB 3.4Å; N128-S132 PolarHBondContact O-N 3.02Å; N128-S132 PolarHBondContact O-OG 2.98Å; N128-F279 HydrophobicContact CB-CE1 4.28Å; N128-E281 WeakPolarHBondContact ND2-CG 3.39Å; N128-E281 PolarHBondContact ND2-OE1 3.18Å; N128-E281 PolarHBondContact ND2-OE2 2.94Å |
| 129 | Y | 95.4 | Very high | 96.4 | Very high | 21 Ų | 21 | 23.2 Ų | 23.2 | 8% | 0.082 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -51 | -34.2 | 172.4 | -179.3 | -95.5 | 0 | 0 | 0 | 113.8 | P51 L53 L54 Q102 I103 E127 S132 | P51-Y129 HydrophobicContact CG-CD2 4.11Å; P51-Y129 HydrophobicContact CG-CE1 4.15Å; P51-Y129 HydrophobicContact CG-CE2 3.37Å; P51-Y129 WeakPolarHBondContact CG-OH 3.41Å; L53-Y129 HydrophobicContact CB-CE1 3.7Å; L53-Y129 PolarHBondContact N-OH 3.37Å; L54-Y129 HydrophobicContact CD2-CD1 4.25Å; L54-Y129 HydrophobicContact CD2-CE1 3.55Å; L54-Y129 HydrophobicContact CD2-CE2 4.28Å; L54-Y129 HydrophobicContact CG-CE1 4.2Å; L54-Y129 WeakPolarHBondContact CG-OH 3.41Å; L54-Y129 PolarHBondContact N-OH 3.33Å; Q102-Y129 HydrophobicContact CB-CD2 4.17Å; I103-Y129 HydrophobicContact CD1-CD1 3.71Å; I103-Y129 HydrophobicContact CD1-CD2 4.36Å; I103-Y129 HydrophobicContact CD1-CE1 4.17Å; I103-Y129 HydrophobicContact CD1-CG 3.82Å; I103-Y129 HydrophobicContact CG1-CD1 4.06Å; I103-Y129 HydrophobicContact CG1-CD2 4.02Å; I103-Y129 HydrophobicContact CG1-CG 3.62Å; E127-Y129 PolarHBondContact O-N 3.37Å; E127-Y129 VanDerWaalsContact O-N 3.1Å; Y129-S132 PolarHBondContact O-OG 3.16Å |
| 130 | F | 96.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -97.3 | -30.7 | 178.1 | -57.2 | -71.1 | 0 | 0 | 0 | 113.3 | L53 M81 F110 L123 S125 E127 N128 G134 L135 | L53-F130 HydrophobicContact CB-CE1 3.9Å; L53-F130 HydrophobicContact CB-CZ 4.01Å; L53-F130 HydrophobicContact CD1-CZ 4.13Å; L53-F130 WeakPolarHBondContact O-CE1 3.46Å; M81-F130 HydrophobicContact CE-CE1 3.95Å; M81-F130 HydrophobicContact CE-CZ 4.05Å; F110-F130 HydrophobicContact CE1-CE2 4.23Å; F110-F130 HydrophobicContact CE1-CZ 4.31Å; F110-F130 HydrophobicContact CE2-CZ 4.42Å; F110-F130 HydrophobicContact CZ-CE2 4.13Å; F110-F130 AromaticContact CZ-CZ 3.79Å; F110-F130 HydrophobicContact CZ-CZ 3.79Å; L123-F130 HydrophobicContact CD1-CB 3.76Å; L123-F130 HydrophobicContact CD1-CD1 3.98Å; L123-F130 HydrophobicContact CD1-CD2 4.18Å; L123-F130 HydrophobicContact CD1-CG 3.71Å; L123-F130 HydrophobicContact CD2-CD1 3.4Å; L123-F130 HydrophobicContact CD2-CE1 3.54Å; L123-F130 HydrophobicContact CD2-CG 4.02Å; L123-F130 HydrophobicContact CD2-CZ 4.3Å; L123-F130 HydrophobicContact CG-CD1 4.26Å; L123-F130 HydrophobicContact CG-CG 4.47Å; S125-F130 VanDerWaalsContact OG-CD2 3.25Å; S125-F130 WeakPolarHBondContact OG-CD2 3.44Å; S125-F130 WeakPolarHBondContact OG-CE2 3.44Å; E127-F130 HydrophobicContact CB-CD2 3.99Å; E127-F130 HydrophobicContact CB-CE2 4.33Å; E127-F130 PolarHBondContact O-N 3.47Å; N128-F130 PolarHBondContact O-N 3.11Å; N128-F130 VanDerWaalsContact O-N 3.16Å; F130-G134 PolarHBondContact O-N 2.64Å; F130-L135 HydrophobicContact CB-CB 4.4Å; F130-L135 HydrophobicContact CD1-CD1 4.35Å; F130-L135 PolarHBondContact O-N 3.36Å |
| 131 | L | 96.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.7 | -38.5 | 179.2 | -60.3 | 174.7 | 0 | 0 | 0 | 111.4 | T126 E127 N128 D133 G134 Y136 F279 P282 L291 V295 | T126-L131 VanDerWaalsContact O-CD1 3.31Å; T126-L131 WeakPolarHBondContact O-CD1 3.22Å; E127-L131 PolarHBondContact O-N 3.1Å; N128-L131 PolarHBondContact O-N 2.72Å; L131-D133 VanDerWaalsContact C-N 3.29Å; L131-D133 PolarHBondContact O-N 3.03Å; L131-G134 PolarHBondContact O-N 2.92Å; L131-G134 VanDerWaalsContact O-N 3.1Å; L131-Y136 VanDerWaalsContact CD2-CB 3.48Å; L131-Y136 HydrophobicContact CD2-CD1 4.25Å; L131-Y136 HydrophobicContact CD2-CD2 4.3Å; L131-Y136 HydrophobicContact CD2-CG 3.76Å; L131-F279 HydrophobicContact CB-CE1 4.14Å; L131-F279 HydrophobicContact CB-CZ 3.68Å; L131-P282 HydrophobicContact CD1-CG 3.71Å; L131-L291 HydrophobicContact CD1-CD2 3.95Å; L131-L291 HydrophobicContact CD2-CD2 4.27Å; L131-V295 HydrophobicContact CB-CG2 4.44Å; L131-V295 HydrophobicContact CD2-CG2 3.7Å |
| 132 | S | 95 | Very high | 96.3 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -28.5 | 179.2 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | N128 Y129 R298 D360 | N128-S132 VanDerWaalsContact O-CB 3.23Å; N128-S132 WeakPolarHBondContact O-CB 3.4Å; N128-S132 PolarHBondContact O-N 3.02Å; N128-S132 PolarHBondContact O-OG 2.98Å; Y129-S132 PolarHBondContact O-OG 3.16Å; S132-R298 WeakPolarHBondContact O-CG 3.5Å; S132-R298 PolarHBondContact O-NE 3.22Å; S132-D360 VanDerWaalsContact CB-OD2 3.26Å; S132-D360 WeakPolarHBondContact CB-OD2 3.15Å |
| 133 | D | 94.3 | Very high | 96.3 | Very high | 37 Ų | 37 | 33.6 Ų | 33.6 | 20% | 0.198 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 4.1 | 172.6 | -79.3 | -76.6 | 0 | 0 | 0 | 114 | L54 L131 L135 | L54-D133 HydrophobicContact CD2-CB 4.13Å; L54-D133 VanDerWaalsContact CD2-OD2 3.28Å; L54-D133 WeakPolarHBondContact CD2-OD2 3.36Å; L131-D133 VanDerWaalsContact C-N 3.29Å; L131-D133 PolarHBondContact O-N 3.03Å; D133-L135 VanDerWaalsContact C-N 3.3Å; D133-L135 HydrophobicContact CB-CD1 3.98Å; D133-L135 HydrophobicContact CB-CG 3.86Å; D133-L135 PolarHBondContact O-N 2.97Å |
| 134 | G | 95.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 28.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F130 L131 | F130-G134 PolarHBondContact O-N 2.64Å; L131-G134 PolarHBondContact O-N 2.92Å; L131-G134 VanDerWaalsContact O-N 3.1Å |
| 135 | L | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -91.3 | -10.9 | -174.2 | -61.7 | 179.8 | 0 | 0 | 0 | 114.1 | L54 I55 V57 R122 L123 F130 D133 | L54-L135 HydrophobicContact CD2-CD1 3.97Å; I55-L135 HydrophobicContact CB-CD1 4.11Å; I55-L135 HydrophobicContact CB-CD2 4.01Å; V57-L135 HydrophobicContact CG2-CD2 4.25Å; R122-L135 VanDerWaalsContact CD-O 3.25Å; R122-L135 WeakPolarHBondContact CD-O 3.48Å; L123-L135 HydrophobicContact CG-CB 4.35Å; L123-L135 PolarHBondContact N-O 3.12Å; F130-L135 HydrophobicContact CB-CB 4.4Å; F130-L135 HydrophobicContact CD1-CD1 4.35Å; F130-L135 PolarHBondContact O-N 3.36Å; D133-L135 VanDerWaalsContact C-N 3.3Å; D133-L135 HydrophobicContact CB-CD1 3.98Å; D133-L135 HydrophobicContact CB-CG 3.86Å; D133-L135 PolarHBondContact O-N 2.97Å | ||
| 136 | Y | 97.6 | Very high | 96.2 | Very high | 26 Ų | 26 | 43.2 Ų | 43.2 | 10% | 0.102 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -76.1 | 138.6 | -179.7 | 170.8 | -92.7 | 0 | 0 | 0 | 112.5 | L123 S125 T126 L131 L291 V295 | L123-Y136 CarbonylContact O-C 3.55Å; L123-Y136 VanDerWaalsContact O-CA 3.27Å; L123-Y136 WeakPolarHBondContact O-CA 3.47Å; S125-Y136 WeakPolarHBondContact O-CD2 3.21Å; T126-Y136 HydrophobicContact CG2-CD2 4.45Å; T126-Y136 HydrophobicContact CG2-CE2 3.98Å; L131-Y136 VanDerWaalsContact CD2-CB 3.48Å; L131-Y136 HydrophobicContact CD2-CD1 4.25Å; L131-Y136 HydrophobicContact CD2-CD2 4.3Å; L131-Y136 HydrophobicContact CD2-CG 3.76Å; Y136-L291 HydrophobicContact CD1-CB 4.33Å; Y136-L291 HydrophobicContact CE1-CB 3.76Å; Y136-L291 HydrophobicContact CE1-CD1 4.44Å; Y136-L291 HydrophobicContact CE2-CD1 4.39Å; Y136-V295 HydrophobicContact CD1-CG2 4.11Å; Y136-V295 HydrophobicContact CG-CG2 4.48Å |
| 137 | V | 97.2 | Very high | 96.2 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 10% | 0.097 | 22% | 0.22 | C | C | . | . | trans | -142.1 | 153.1 | 163.5 | 75.1 | 0 | 0 | 0 | 0 | 109.2 | R122 L123 L141 L142 | R122-V137 HydrophobicContact CB-CB 4.24Å; R122-V137 HydrophobicContact CB-CG1 3.68Å; R122-V137 HydrophobicContact CG-CG1 4.49Å; L123-V137 PolarHBondContact O-N 3.32Å; V137-L141 HydrophobicContact CG2-CB 3.69Å; V137-L141 HydrophobicContact CG2-CD1 3.66Å; V137-L141 HydrophobicContact CG2-CG 4.27Å; V137-L142 HydrophobicContact CG1-CB 4.46Å; V137-L142 HydrophobicContact CG1-CD1 3.74Å | ||
| 138 | C | 95.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | trans | -67.2 | 153 | 173.8 | 57.8 | 0 | 0 | 0 | 0 | 112.3 | E140 L141 Q288 E292 | C138-E140 WeakPolarHBondContact CB-OE2 3.31Å; C138-E140 PolarHBondContact O-N 2.83Å; C138-L141 PolarHBondContact O-N 3.18Å; C138-L141 VanDerWaalsContact O-N 3.15Å; C138-Q288 HydrophobicContact CB-CG 4.14Å; C138-Q288 PolarHBondContact SG-NE2 2.94Å; C138-E292 PolarHBondContact SG-OE1 3.43Å; C138-E292 VanDerWaalsContact SG-OE1 3.39Å | ||
| 139 | D | 95.3 | Very high | 96.5 | Very high | 86 Ų | 86 | 43.6 Ų | 43.6 | 46% | 0.46 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -61.8 | -30.2 | -173.5 | -166.7 | 74.5 | 0 | 0 | 0 | 112.1 | N111 T124 L141 L142 | N111-D139 PolarHBondContact ND2-OD1 3.07Å; T124-D139 HydrophobicContact CG2-CB 4.28Å; D139-L141 PolarHBondContact O-N 3.45Å; D139-L142 PolarHBondContact O-N 2.93Å; D139-L142 VanDerWaalsContact O-N 3.11Å |
| 140 | E | 95.8 | Very high | 96.6 | Very high | 140 Ų | 140 | 42.7 Ų | 42.7 | 65% | 0.654 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -63.6 | -26.6 | 179.1 | -64.1 | 77.6 | -165.8 | 0 | 0 | 113.7 | C138 | C138-E140 WeakPolarHBondContact CB-OE2 3.31Å; C138-E140 PolarHBondContact O-N 2.83Å |
| 141 | L | 96.3 | Very high | 96.7 | Very high | 64 Ų | 64 | 43.1 Ų | 43.1 | 34% | 0.335 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -92.5 | -5 | 179.6 | -64.3 | 178.9 | 0 | 0 | 0 | 112.6 | S116 V137 C138 D139 | S116-L141 WeakPolarHBondContact CB-O 3.4Å; S116-L141 PolarHBondContact N-O 3.2Å; S116-L141 PolarHBondContact OG-O 2.74Å; S116-L141 VanDerWaalsContact OG-O 3.13Å; V137-L141 HydrophobicContact CG2-CB 3.69Å; V137-L141 HydrophobicContact CG2-CD1 3.66Å; V137-L141 HydrophobicContact CG2-CG 4.27Å; C138-L141 PolarHBondContact O-N 3.18Å; C138-L141 VanDerWaalsContact O-N 3.15Å; D139-L141 PolarHBondContact O-N 3.45Å |
| 142 | L | 97.1 | Very high | 96.7 | Very high | 17 Ų | 17 | 43.2 Ų | 43.2 | 9% | 0.089 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 108.8 | -171 | -160.4 | 73 | 0 | 0 | 0 | 112.5 | N111 G113 R122 T124 V137 D139 | N111-L142 HydrophobicContact CB-CD2 3.71Å; G113-L142 VanDerWaalsContact C-CD1 3.42Å; G113-L142 VanDerWaalsContact CA-CD1 3.47Å; R122-L142 HydrophobicContact CB-CD1 4.3Å; T124-L142 HydrophobicContact CG2-CD2 3.73Å; V137-L142 HydrophobicContact CG1-CB 4.46Å; V137-L142 HydrophobicContact CG1-CD1 3.74Å; D139-L142 PolarHBondContact O-N 2.93Å; D139-L142 VanDerWaalsContact O-N 3.11Å |
| 143 | E | 97.8 | Very high | 96.9 | Very high | 91 Ų | 91 | 43 Ų | 43 | 43% | 0.425 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 153 | 177.8 | -60.1 | -179.1 | 170.7 | 0 | 0 | 112.3 | G113 R114 S116 S145 | G113-E143 WeakPolarHBondContact CA-O 3.49Å; R114-E143 HydrophobicContact CB-CB 4.34Å; R114-E143 PolarHBondContact N-O 3.45Å; R114-E143 WeakPolarHBondContact O-CB 3.49Å; R114-E143 PolarHBondContact O-N 2.73Å; S116-E143 WeakPolarHBondContact CB-OE1 3.48Å; E143-S145 PolarHBondContact O-N 2.97Å; E143-S145 VanDerWaalsContact O-N 3.08Å |
| 144 | N | 96.8 | Very high | 97 | Very high | 107 Ų | 107 | 42.9 Ų | 42.9 | 57% | 0.572 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 53.8 | 28.7 | 177.5 | -61.7 | -53.5 | 0 | 0 | 0 | 114.6 | Y85 | Y85-N144 HydrophobicContact CE2-CB 4.32Å |
| 145 | S | 96.7 | Very high | 97.1 | Very high | 45 Ų | 45 | 43 Ų | 43 | 32% | 0.315 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.8 | 137.1 | -174.7 | 170.2 | 0 | 0 | 0 | 0 | 114.2 | N111 V112 E143 | N111-S145 WeakPolarHBondContact CB-OG 3.18Å; V112-S145 CarbonylContact O-C 3.58Å; V112-S145 WeakPolarHBondContact O-CA 3.43Å; E143-S145 PolarHBondContact O-N 2.97Å; E143-S145 VanDerWaalsContact O-N 3.08Å |
| 146 | K | 97.9 | Very high | 97.1 | Very high | 86 Ų | 86 | 45.4 Ų | 45.4 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.6 | 172.2 | -55.3 | -58.9 | 171.3 | -158 | 0 | 109 | V84 Y85 N111 V112 | V84-K146 HydrophobicContact CG1-CB 4.41Å; V84-K146 WeakPolarHBondContact O-CB 3.31Å; V84-K146 WeakPolarHBondContact O-CG 3.48Å; Y85-K146 WeakPolarHBondContact O-CG 3.37Å; N111-K146 CarbonylContact C-O 3.55Å; N111-K146 WeakPolarHBondContact CA-O 3.38Å; V112-K146 PolarHBondContact N-O 3.09Å; V112-K146 PolarHBondContact O-N 3.14Å |
| 147 | S | 97.3 | Very high | 97.1 | Very high | 58 Ų | 58 | 46 Ų | 46 | 41% | 0.406 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 133.6 | 177.7 | -175.7 | 0 | 0 | 0 | 0 | 111 | F110 N111 | F110-S147 WeakPolarHBondContact O-CA 3.28Å; N111-S147 WeakPolarHBondContact OD1-CA 3.43Å; N111-S147 WeakPolarHBondContact OD1-CB 3.45Å |
| 148 | L | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 130.1 | 167.9 | 179 | 61.6 | 0 | 0 | 0 | 109.5 | M81 V84 L89 M92 T109 F110 L150 | M81-L148 HydrophobicContact CE-CD2 4Å; M81-L148 HydrophobicContact SD-CD2 4.35Å; V84-L148 HydrophobicContact CG1-CB 3.98Å; V84-L148 HydrophobicContact CG2-CD1 4.08Å; V84-L148 HydrophobicContact CG2-CD2 4.17Å; L89-L148 HydrophobicContact CD2-CD1 3.41Å; L89-L148 VanDerWaalsContact CD2-CD1 3.41Å; M92-L148 HydrophobicContact CB-CD1 4.29Å; T109-L148 WeakPolarHBondContact CA-O 3.33Å; F110-L148 HydrophobicContact CE1-CD2 4.36Å; F110-L148 HydrophobicContact CE2-CB 4.41Å; F110-L148 HydrophobicContact CE2-CD2 4.04Å; F110-L148 HydrophobicContact CZ-CD2 3.67Å; F110-L148 HydrophobicContact CZ-CG 4.49Å; F110-L148 PolarHBondContact N-O 3.01Å; F110-L148 PolarHBondContact O-N 3.48Å; L148-L150 HydrophobicContact CD2-CB 4.47Å; L148-L150 HydrophobicContact CG-CB 4.43Å |
| 149 | R | 97.4 | Very high | 96.6 | Very high | 106 Ų | 106 | 56.3 Ų | 56.3 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 112.4 | 163.5 | -69.2 | -178.1 | 61.2 | -162.3 | -0.3 | 109 | S90 Y91 M92 E107 T109 | S90-R149 PolarHBondContact O-N 2.9Å; Y91-R149 WeakPolarHBondContact CA-O 3.18Å; Y91-R149 HydrophobicContact CD1-CB 3.96Å; Y91-R149 HydrophobicContact CE1-CB 4.22Å; Y91-R149 HydrophobicContact CE1-CG 4.38Å; M92-R149 PolarHBondContact N-O 3.29Å; E107-R149 IonicContact OE1-CZ 3.87Å; E107-R149 IonicContact OE1-NE 3.91Å; E107-R149 PolarHBondContact OE1-NE 3.1Å; E107-R149 IonicContact OE1-NH2 3.18Å; E107-R149 PolarHBondContact OE1-NH2 3.12Å; T109-R149 HydrophobicContact CG2-CG 4.3Å |
| 150 | L | 97.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.7 | -179 | 172.8 | 66.8 | 0 | 0 | 0 | 109 | L53 M92 W94 H108 F110 L148 I152 | L53-L150 HydrophobicContact CD1-CD1 4.2Å; L53-L150 HydrophobicContact CD1-CD2 3.45Å; L53-L150 VanDerWaalsContact CD1-CD2 3.45Å; L53-L150 HydrophobicContact CD1-CG 4.46Å; M92-L150 HydrophobicContact CB-CD1 4.03Å; M92-L150 HydrophobicContact CG-CD1 3.92Å; M92-L150 CarbonylContact O-C 3.46Å; M92-L150 WeakPolarHBondContact O-CA 3.45Å; M92-L150 HydrophobicContact SD-CD1 3.95Å; W94-L150 HydrophobicContact CB-CD1 4.4Å; H108-L150 HydrophobicContact CB-CB 4.14Å; H108-L150 HydrophobicContact CB-CD2 4.41Å; H108-L150 PolarHBondContact N-O 3.09Å; H108-L150 PolarHBondContact O-N 2.78Å; F110-L150 HydrophobicContact CE1-CB 4.42Å; F110-L150 HydrophobicContact CE1-CD2 4.2Å; L148-L150 HydrophobicContact CD2-CB 4.47Å; L148-L150 HydrophobicContact CG-CB 4.43Å; L150-I152 HydrophobicContact CD1-CG1 4.38Å; L150-I152 HydrophobicContact CD2-CD1 4Å; L150-I152 HydrophobicContact CD2-CG1 4.16Å; L150-I152 HydrophobicContact CG-CD1 4.35Å; L150-I152 HydrophobicContact CG-CG1 3.97Å |
| 151 | N | 97.1 | Very high | 93.2 | Very high | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.059 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123 | 173.3 | -169.3 | 12.7 | 0 | 0 | 0 | 108.8 | M92 V93 W94 G106 R235 | M92-N151 PolarHBondContact O-N 3.36Å; V93-N151 CarbonylContact C-O 3.5Å; V93-N151 VanDerWaalsContact CA-O 3.25Å; V93-N151 WeakPolarHBondContact CA-O 3.19Å; V93-N151 HydrophobicContact CG1-CB 4.32Å; V93-N151 WeakPolarHBondContact CG1-O 3.39Å; V93-N151 HydrophobicContact CG2-CB 4.08Å; W94-N151 PolarHBondContact N-O 3Å; G106-N151 CarbonylContact O-C 3.48Å; G106-N151 WeakPolarHBondContact O-CA 3.16Å; G106-N151 PolarHBondContact O-OD1 2.94Å; N151-R235 PolarHBondContact ND2-NH2 3.3Å; N151-R235 PolarHBondContact OD1-NH2 2.71Å |
| 152 | I | 97.7 | Very high | 90.7 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.7 | -176.4 | -59.2 | 178.7 | 0 | 0 | 0 | 107.6 | W94 H96 I103 S104 E105 G106 L150 | W94-I152 HydrophobicContact CE3-CD1 4.07Å; W94-I152 HydrophobicContact CE3-CG1 4.07Å; W94-I152 HydrophobicContact CE3-CG2 3.8Å; W94-I152 HydrophobicContact CZ3-CD1 4.44Å; W94-I152 HydrophobicContact CZ3-CG2 4.2Å; H96-I152 VanDerWaalsContact CD2-CG2 3.47Å; H96-I152 WeakPolarHBondContact CD2-CG2 3.48Å; I103-I152 HydrophobicContact CB-CD1 3.48Å; I103-I152 VanDerWaalsContact CB-CD1 3.48Å; I103-I152 HydrophobicContact CD1-CD1 4.39Å; I103-I152 HydrophobicContact CG2-CD1 3.2Å; S104-I152 WeakPolarHBondContact O-CD1 3.45Å; E105-I152 HydrophobicContact CG-CG2 4.29Å; G106-I152 PolarHBondContact N-O 3.08Å; G106-I152 VanDerWaalsContact N-O 3.11Å; G106-I152 PolarHBondContact O-N 2.9Å; L150-I152 HydrophobicContact CD1-CG1 4.38Å; L150-I152 HydrophobicContact CD2-CD1 4Å; L150-I152 HydrophobicContact CD2-CG1 4.16Å; L150-I152 HydrophobicContact CG-CD1 4.35Å; L150-I152 HydrophobicContact CG-CG1 3.97Å |
| 153 | V | 97.7 | Very high | 87.8 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 109.4 | -169.4 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | V93 W94 L95 H96 Y231 V232 R235 | V93-V153 HydrophobicContact CG1-CB 4.44Å; V93-V153 HydrophobicContact CG1-CG2 3.87Å; W94-V153 PolarHBondContact O-N 3.04Å; L95-V153 WeakPolarHBondContact CA-O 3.4Å; L95-V153 HydrophobicContact CD2-CB 3.81Å; L95-V153 HydrophobicContact CD2-CG1 4.19Å; H96-V153 VanDerWaalsContact CD2-C 3.48Å; H96-V153 PolarHBondContact N-O 3.3Å; V153-Y231 HydrophobicContact CG1-CD1 4.33Å; V153-Y231 HydrophobicContact CG1-CE1 4.04Å; V153-V232 HydrophobicContact CG1-CB 4.34Å; V153-V232 HydrophobicContact CG1-CG1 4.28Å; V153-V232 HydrophobicContact CG1-CG2 3.95Å; V153-R235 HydrophobicContact CG1-CB 4.43Å; V153-R235 HydrophobicContact CG1-CG 4.41Å; V153-R235 HydrophobicContact CG2-CB 4.06Å; V153-R235 HydrophobicContact CG2-CG 4.37Å |
| 154 | K | 97.7 | Very high | 85 | Confident | 34 Ų | 34 | 62 Ų | 62 | 15% | 0.148 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 142.9 | 172.3 | -178.1 | 166.6 | 57.9 | -125 | 0 | 111.3 | H96 E105 E226 G227 | H96-K154 WeakPolarHBondContact NE2-CA 3.23Å; H96-K154 PolarHBondContact NE2-N 2.7Å; H96-K154 VanDerWaalsContact NE2-N 3.15Å; H96-K154 CarbonylContact O-C 3.6Å; H96-K154 WeakPolarHBondContact O-CA 3.27Å; E105-K154 HydrophobicContact CG-CB 4.3Å; E105-K154 IonicContact OE1-NZ 2.98Å; E105-K154 PolarHBondContact OE1-NZ 3.11Å; K154-E226 IonicContact NZ-OE2 3.31Å; K154-E226 PolarHBondContact NZ-OE2 3.12Å; K154-G227 WeakPolarHBondContact O-CA 3.48Å |
| 155 | V | 97.7 | Very high | 82 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.024 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 124.5 | 173.8 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | L95 H96 V232 F254 A380 | L95-V155 HydrophobicContact CB-CG2 3.91Å; L95-V155 HydrophobicContact CD2-CG2 4.36Å; H96-V155 PolarHBondContact O-N 3.14Å; V155-V232 HydrophobicContact CG2-CG2 4.12Å; V155-F254 HydrophobicContact CB-CE2 4.3Å; V155-F254 HydrophobicContact CB-CZ 3.93Å; V155-F254 HydrophobicContact CG1-CZ 4.02Å; V155-F254 HydrophobicContact CG2-CE2 4.4Å; V155-F254 HydrophobicContact CG2-CZ 4.26Å; V155-A380 HydrophobicContact CG1-CB 4.03Å |
| 156 | N | 96.9 | Very high | 79.2 | Confident | 51 Ų | 51 | 68.5 Ų | 68.5 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -100.5 | 144 | 176.5 | -71 | -42.4 | 0 | 0 | 0 | 111.2 | E226 G227 | N156-E226 PolarHBondContact ND2-O 2.68Å; N156-G227 WeakPolarHBondContact CB-O 3.46Å; N156-G227 PolarHBondContact N-O 3.05Å |
| 157 | P | 96.5 | Very high | 76.1 | Confident | 39 Ų | 39 | 67.3 Ų | 67.3 | 25% | 0.253 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 141.2 | 174.3 | 23.7 | -32.3 | 0 | 0 | 0 | 111.5 | Y98 K159 L377 | Y98-P157 HydrophobicContact CE1-CG 4.15Å; P157-K159 PolarHBondContact O-N 3.01Å; P157-L377 HydrophobicContact CB-CD2 4.21Å; P157-L377 HydrophobicContact CB-CG 4.13Å |
| 158 | V | 95.8 | Very high | 73.1 | Confident | 48 Ų | 48 | 73.6 Ų | 73.6 | 29% | 0.291 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 124.2 | 170.2 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | T160 T229 G376 A380 L383 | V158-T160 PolarHBondContact O-N 3.13Å; V158-T229 HydrophobicContact CG2-CG2 4.01Å; V158-G376 PolarHBondContact N-O 2.88Å; V158-G376 VanDerWaalsContact O-CA 3.3Å; V158-G376 WeakPolarHBondContact O-CA 3.32Å; V158-A380 HydrophobicContact CG2-CB 3.93Å; V158-L383 HydrophobicContact CG2-CD1 3.97Å |
| 159 | K | 88.7 | Confident | 69.8 | Low | 190 Ų | 190 | 81 Ų | 81 | 83% | 0.826 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 116.3 | 174.5 | -62.2 | -176.3 | -177.9 | -179.8 | 0 | 109.6 | P157 S161 | P157-K159 PolarHBondContact O-N 3.01Å; K159-S161 PolarHBondContact O-N 3.07Å |
| 160 | T | 64.6 | Low | 66.7 | Low | 82 Ų | 82 | 81.2 Ų | 81.2 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 118 | 167.7 | 49.7 | 0 | 0 | 0 | 0 | 107.9 | V158 T162 | V158-T160 PolarHBondContact O-N 3.13Å; T160-T162 VanDerWaalsContact C-N 3.3Å; T160-T162 PolarHBondContact O-N 3.38Å |
| 161 | S | 54.2 | Low | 63.5 | Low | 118 Ų | 118 | 88.3 Ų | 88.3 | 83% | 0.825 | 52% | 0.517 | S | S | * | . | trans | -74.5 | 85.6 | 177.1 | -63 | 0 | 0 | 0 | 0 | 109.2 | K159 G163 | K159-S161 PolarHBondContact O-N 3.07Å; S161-G163 PolarHBondContact O-N 2.9Å | ||
| 162 | T | 43.1 | Very low | 60.3 | Low | 137 Ų | 137 | 96.9 Ų | 96.9 | 84% | 0.84 | 55% | 0.549 | S | S | * | . | trans | -78.9 | 68.4 | 163.1 | 51.4 | 0 | 0 | 0 | 0 | 109.3 | T160 | T160-T162 VanDerWaalsContact C-N 3.3Å; T160-T162 PolarHBondContact O-N 3.38Å | ||
| 163 | G | 37.6 | Very low | 56.9 | Low | 52 Ų | 52 | 103 Ų | 103 | 54% | 0.536 | 58% | 0.582 | S | S | . | * | trans | -101.6 | 140.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109 | S161 L165 | S161-G163 PolarHBondContact O-N 2.9Å; G163-L165 PolarHBondContact O-N 3.34Å | ||
| 164 | P | 37.4 | Very low | 53.7 | Low | 128 Ų | 128 | 108 Ų | 108 | 83% | 0.831 | 62% | 0.617 | S | S | * | * | trans | -57.1 | 129.3 | 167.6 | -13 | 26.2 | 0 | 0 | 0 | 108 | ||||
| 165 | L | 34.7 | Very low | 50.4 | Low | 161 Ų | 161 | 112.5 Ų | 112.5 | 84% | 0.843 | 65% | 0.646 | S | S | * | * | trans | -44.6 | 128.8 | 165.2 | -74.7 | 154 | 0 | 0 | 0 | 108 | G163 G167 | G163-L165 PolarHBondContact O-N 3.34Å; L165-G167 PolarHBondContact O-N 3.4Å | ||
| 166 | P | 37.3 | Very low | 47.1 | Very low | 128 Ų | 128 | 117.7 Ų | 117.7 | 83% | 0.831 | 68% | 0.678 | S | S | * | * | trans | -59 | 108.3 | 171.8 | -18.2 | 30.3 | 0 | 0 | 0 | 107.2 | H168 | P166-H168 PolarHBondContact O-N 3.24Š| ||
| 167 | G | 34.2 | Very low | 43.8 | Very low | 61 Ų | 61 | 122.9 Ų | 122.9 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | trans | -58.1 | 136.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L165 D169 | L165-G167 PolarHBondContact O-N 3.4Å; G167-D169 PolarHBondContact O-N 3.24Å; G167-D169 VanDerWaalsContact O-N 3.15Å | ||
| 168 | H | 33.6 | Very low | 40.5 | Very low | 190 Ų | 190 | 127.6 Ų | 127.6 | 88% | 0.88 | 72% | 0.723 | S | S | * | * | trans | -17.5 | 106.5 | 150.4 | -126.8 | -73.8 | 0 | 0 | 0 | 113.4 | P166 P170 | P166-H168 PolarHBondContact O-N 3.24Å; H168-P170 WeakPolarHBondContact O-CD 3.3Å | ||
| 169 | D | 29.3 | Very low | 37.2 | Very low | 155 Ų | 155 | 130 Ų | 130 | 83% | 0.829 | 74% | 0.742 | S | S | * | * | trans | -83.5 | 120.1 | 163.1 | -94 | -31.4 | 0 | 0 | 0 | 108.6 | G167 | G167-D169 PolarHBondContact O-N 3.24Å; G167-D169 VanDerWaalsContact O-N 3.15Å | ||
| 170 | P | 31.5 | Very low | 34.2 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | trans | -82.2 | 134.4 | 160 | 32.8 | -25.9 | 0 | 0 | 0 | 109.2 | H168 | H168-P170 WeakPolarHBondContact O-CD 3.3Š| ||
| 171 | E | 30.7 | Very low | 32.4 | Very low | 151 Ų | 151 | 136 Ų | 136 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -26.4 | 133.3 | 158.6 | -84.1 | -175.4 | 156.1 | 0 | 0 | 115 | ||||
| 172 | R | 28.9 | Very low | 31 | Very low | 192 Ų | 192 | 135.3 Ų | 135.3 | 73% | 0.725 | 76% | 0.762 | S | S | * | * | 155.6 | 142.3 | 92 | -119.4 | 174.7 | -95 | -166 | -7.1 | 113.8 | |||||
| 173 | D | 27.6 | Very low | 30.3 | Very low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | 68.1 | 104.4 | 145 | -62.3 | -29.4 | 0 | 0 | 0 | 123.3 | ||||
| 174 | S | 30.7 | Very low | 29.8 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | 11.6 | 134.5 | 125 | -21.3 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 175 | V | 28.5 | Very low | 29.3 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | 165.4 | 112.9 | 120.5 | 161.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 176 | T | 27 | Very low | 29 | Very low | 113 Ų | 113 | 143 Ų | 143 | 69% | 0.693 | 77% | 0.767 | S | S | * | * | trans | 44 | 135 | 140.2 | 72.7 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 177 | H | 28 | Very low | 28.6 | Very low | 161 Ų | 161 | 148.9 Ų | 148.9 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | 95.2 | 124 | 123.5 | -96.9 | -60.1 | 0 | 0 | 0 | 123.5 | |||||
| 178 | L | 26.8 | Very low | 28.2 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 72% | 0.723 | 78% | 0.783 | S | S | * | * | trans | 99.4 | 104.8 | 135.6 | -64.1 | 161.1 | 0 | 0 | 0 | 121.8 | ||||
| 179 | S | 26.5 | Very low | 28 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | 63.4 | 124.8 | 117.4 | -46.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 180 | K | 27.2 | Very low | 27.9 | Very low | 212 Ų | 212 | 145.8 Ų | 145.8 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | 176.3 | 150.3 | 89.3 | -113.3 | 172.2 | -177.1 | 170.1 | 0 | 113.4 | |||||
| 181 | K | 26.3 | Very low | 27.8 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -70.9 | 153.8 | 176.6 | -118.3 | 170.7 | 176.2 | 170.5 | 0 | 113.5 | ||||
| 182 | A | 24.7 | Very low | 28.3 | Very low | 103 Ų | 103 | 147.2 Ų | 147.2 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -147 | 132.4 | 138.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 183 | R | 28.3 | Very low | 28.2 | Very low | 215 Ų | 215 | 143.5 Ų | 143.5 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -77.9 | 175.9 | 167 | -63.8 | 169.1 | 146.7 | 163.4 | -8.5 | 108.6 | ||||
| 184 | T | 27.5 | Very low | 28.1 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 68% | 0.681 | 80% | 0.801 | S | S | * | * | cis | -171 | 154.4 | 22.3 | -15.6 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 185 | D | 26.4 | Very low | 27.9 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | 173.8 | 149.2 | 72.7 | -93.9 | -41 | 0 | 0 | 0 | 108.1 | |||||
| 186 | L | 27.5 | Very low | 27.7 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | 174.9 | 132.8 | 125.5 | -89.3 | 167.4 | 0 | 0 | 0 | 109.5 | |||||
| 187 | R | 28.9 | Very low | 27.6 | Very low | 251 Ų | 251 | 145.1 Ų | 145.1 | 95% | 0.947 | 81% | 0.811 | S | S | * | * | trans | -125.1 | 147.8 | -176.7 | -128.9 | -176.1 | -174.8 | -95.9 | 0.1 | 107.8 | ||||
| 188 | G | 26.6 | Very low | 28.3 | Very low | 81 Ų | 81 | 142.6 Ų | 142.6 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | 163.8 | 92.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 189 | D | 29.7 | Very low | 28.1 | Very low | 181 Ų | 181 | 141.6 Ų | 141.6 | 97% | 0.968 | 81% | 0.808 | S | S | * | * | trans | -95.3 | 153.9 | 167.6 | -102.3 | -22.7 | 0 | 0 | 0 | 110.8 | ||||
| 190 | G | 26.6 | Very low | 28.1 | Very low | 78 Ų | 78 | 144 Ų | 144 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -174.4 | 104.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 191 | E | 28.9 | Very low | 28 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -85.3 | 172.3 | 156.9 | -95.9 | -164.3 | 158.9 | 0 | 0 | 110 | ||||
| 192 | P | 41.4 | Very low | 28.3 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | cis | -152 | 177.3 | 32.9 | 40.3 | -17 | 0 | 0 | 0 | 119.8 | ||||
| 193 | S | 26.3 | Very low | 28.3 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 66.3 | 127.3 | 144.6 | -70.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 194 | S | 27.3 | Very low | 28.2 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | 163 | 123.8 | 121.9 | -179.3 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 195 | V | 25.8 | Very low | 28 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -22.1 | 136.2 | 162.3 | -177.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 196 | T | 24.6 | Very low | 28.2 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | 176.4 | 148.1 | 123 | 24.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 197 | T | 24.4 | Very low | 28.3 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | trans | -132.8 | 171.2 | 166.7 | -15.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 198 | P | 42.1 | Very low | 28.1 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | cis | -118.6 | -177 | -48.5 | 26.1 | -6 | 0 | 0 | 0 | 111.2 | ||||
| 199 | T | 23.8 | Very low | 28.3 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | trans | 155.7 | 115.2 | 131.1 | -63.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 200 | L | 25.9 | Very low | 28.1 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | 70.5 | 94.9 | 148.6 | -61.8 | 165.9 | 0 | 0 | 0 | 122.9 | ||||
| 201 | L | 25.9 | Very low | 28.1 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | 32.9 | 161 | 117.8 | -67.8 | 170.7 | 0 | 0 | 0 | 122.2 | |||||
| 202 | P | 32.2 | Very low | 28.1 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | cis | -136.1 | 164.2 | -12.1 | 34.5 | -15.1 | 0 | 0 | 0 | 115 | ||||
| 203 | T | 24.5 | Very low | 27.6 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | 175.2 | 103.2 | 142.8 | 22 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 204 | E | 26 | Very low | 28 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | 57.9 | 95.2 | 114 | -66.3 | -158.2 | 153.5 | 0 | 0 | 114.7 | |||||
| 205 | D | 22.7 | Very low | 28 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -159.1 | 134.7 | 133.2 | -126.2 | -19.1 | 0 | 0 | 0 | 114 | ||||
| 206 | S | 31 | Very low | 28.3 | Very low | 92 Ų | 92 | 146 Ų | 146 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | trans | 73.6 | 137.4 | 145.2 | 78.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 207 | N | 28.8 | Very low | 28.7 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 66.1 | 111.4 | 152.6 | -73.8 | -52.6 | 0 | 0 | 0 | 119.3 | ||||
| 208 | L | 24.9 | Very low | 29.3 | Very low | 166 Ų | 166 | 146 Ų | 146 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -156.8 | 107.1 | 139.1 | -126 | 101.5 | 0 | 0 | 0 | 111.8 | ||||
| 209 | Q | 30.6 | Very low | 29.1 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | 22.2 | 101.2 | 129.5 | -106.5 | 150 | -20.8 | 0 | 0 | 116.4 | K211 | Q209-K211 PolarHBondContact O-N 3.17Š| |||
| 210 | R | 25.9 | Very low | 29.7 | Very low | 245 Ų | 245 | 145.5 Ų | 145.5 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -81.9 | 103.5 | 163.3 | -168 | 173.1 | -73.3 | 172.8 | -2.2 | 108.8 | L212 | R210-L212 PolarHBondContact O-N 3.38Š| ||
| 211 | K | 26.9 | Very low | 30.4 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -52 | 122.1 | 170.2 | -80.6 | 170.1 | 169.2 | 175.5 | 0 | 110.9 | Q209 S213 | Q209-K211 PolarHBondContact O-N 3.17Å; K211-S213 PolarHBondContact O-N 3.32Å | ||
| 212 | L | 30.1 | Very low | 31.5 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | trans | -60.9 | 118.3 | 151 | -74.2 | 144.6 | 0 | 0 | 0 | 107.8 | R210 | R210-L212 PolarHBondContact O-N 3.38Š| ||
| 213 | S | 30.8 | Very low | 32.5 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -98.8 | 93.6 | 166.9 | 54.7 | 0 | 0 | 0 | 0 | 108.2 | K211 | K211-S213 PolarHBondContact O-N 3.32Š| ||
| 214 | S | 32.8 | Very low | 34.3 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -74.6 | 127.1 | 169.3 | 56.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 215 | N | 29.1 | Very low | 36.9 | Very low | 170 Ų | 170 | 141 Ų | 141 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -87 | 115.1 | 151.1 | -87.1 | -14.5 | 0 | 0 | 0 | 107.3 | T217 | N215-T217 PolarHBondContact O-N 3.29Š| ||
| 216 | C | 30.3 | Very low | 39.9 | Very low | 114 Ų | 114 | 136 Ų | 136 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | trans | -69.2 | 115.7 | -168.8 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 217 | T | 33.8 | Very low | 42.6 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 66% | 0.663 | 70% | 0.695 | S | S | * | * | trans | -118.9 | 142.4 | 134.6 | 44.7 | 0 | 0 | 0 | 0 | 107.1 | N215 F219 | N215-T217 PolarHBondContact O-N 3.29Å; T217-F219 WeakPolarHBondContact O-CD2 3.47Å; T217-F219 PolarHBondContact O-N 3.33Å; T217-F219 VanDerWaalsContact O-N 3.07Å | ||
| 218 | D | 36.4 | Very low | 45.8 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 86% | 0.861 | 67% | 0.668 | S | S | * | * | trans | -68.2 | 95.3 | -164.4 | -167.9 | 20.2 | 0 | 0 | 0 | 112.1 | ||||
| 219 | F | 38.3 | Very low | 49.1 | Very low | 140 Ų | 140 | 120 Ų | 120 | 61% | 0.614 | 64% | 0.637 | S | S | * | * | trans | -122.8 | 45.9 | 176.5 | -73.2 | -76.7 | 0 | 0 | 0 | 111.8 | T217 D221 E222 | T217-F219 WeakPolarHBondContact O-CD2 3.47Å; T217-F219 PolarHBondContact O-N 3.33Å; T217-F219 VanDerWaalsContact O-N 3.07Å; F219-D221 PolarHBondContact O-N 3.16Å; F219-E222 HydrophobicContact CD1-CG 4.29Å; F219-E222 WeakPolarHBondContact CD1-OE2 3.37Å | ||
| 220 | G | 36.3 | Very low | 52.1 | Low | 74 Ų | 74 | 115.1 Ų | 115.1 | 76% | 0.763 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -80.3 | -2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 221 | D | 40.6 | Very low | 55.4 | Low | 133 Ų | 133 | 104.9 Ų | 104.9 | 71% | 0.711 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -139 | 1.1 | -172.3 | -133.5 | 2.4 | 0 | 0 | 0 | 114.5 | F219 | F219-D221 PolarHBondContact O-N 3.16Š|
| 222 | E | 49.2 | Very low | 58.7 | Low | 71 Ų | 71 | 95.7 Ų | 95.7 | 33% | 0.332 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -82 | -28.8 | -175.4 | -60.9 | -148.3 | 126 | 0 | 0 | 113.8 | F219 K224 N225 E226 R234 | F219-E222 HydrophobicContact CD1-CG 4.29Å; F219-E222 WeakPolarHBondContact CD1-OE2 3.37Å; E222-K224 VanDerWaalsContact C-N 3.32Å; E222-K224 PolarHBondContact O-N 2.95Å; E222-N225 PolarHBondContact O-N 3.27Å; E222-E226 PolarHBondContact O-N 3.47Å; E222-R234 IonicContact OE1-CZ 2.87Å; E222-R234 VanDerWaalsContact OE1-CZ 3.23Å; E222-R234 IonicContact OE1-NH1 3.03Å; E222-R234 PolarHBondContact OE1-NH1 3.02Å; E222-R234 IonicContact OE1-NH2 3.3Å; E222-R234 PolarHBondContact OE1-NH2 2.99Å |
| 223 | D | 54.6 | Low | 61.8 | Low | 145 Ų | 145 | 89 Ų | 89 | 78% | 0.775 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -28.9 | -172.7 | -112.2 | -1.2 | 0 | 0 | 0 | 114.4 | N225 | D223-N225 VanDerWaalsContact C-N 3.34Å; D223-N225 PolarHBondContact O-N 3.36Å |
| 224 | K | 61.2 | Low | 64.8 | Low | 187 Ų | 187 | 89.3 Ų | 89.3 | 81% | 0.813 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -14 | -176.1 | -70.7 | -176.9 | -177.6 | 170.7 | 0 | 114.2 | E222 | E222-K224 VanDerWaalsContact C-N 3.32Å; E222-K224 PolarHBondContact O-N 2.95Å |
| 225 | N | 80.6 | Confident | 67.7 | Low | 97 Ų | 97 | 87.9 Ų | 87.9 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -116 | 3.9 | -176.7 | -74 | -23.8 | 0 | 0 | 0 | 112.7 | E222 D223 G227 S228 Y231 | E222-N225 PolarHBondContact O-N 3.27Å; D223-N225 VanDerWaalsContact C-N 3.34Å; D223-N225 PolarHBondContact O-N 3.36Å; N225-G227 PolarHBondContact O-N 2.65Å; N225-S228 VanDerWaalsContact O-CB 3.23Å; N225-S228 WeakPolarHBondContact O-CB 3.45Å; N225-S228 PolarHBondContact O-N 3.28Å; N225-S228 PolarHBondContact O-OG 3.02Å; N225-Y231 WeakPolarHBondContact O-CB 3.44Å |
| 226 | E | 85.6 | Confident | 70.8 | Confident | 54 Ų | 54 | 79.8 Ų | 79.8 | 25% | 0.252 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 136.7 | 177.7 | -167.1 | 179.2 | -137.3 | 0 | 0 | 110.9 | K154 N156 E222 S228 Y231 | K154-E226 IonicContact NZ-OE2 3.31Å; K154-E226 PolarHBondContact NZ-OE2 3.12Å; N156-E226 PolarHBondContact ND2-O 2.68Å; E222-E226 PolarHBondContact O-N 3.47Å; E226-S228 PolarHBondContact O-N 3.26Å; E226-S228 VanDerWaalsContact O-N 3.1Å; E226-Y231 HydrophobicContact CG-CE1 4.1Å |
| 227 | G | 88.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 1.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | K154 N156 N225 | K154-G227 WeakPolarHBondContact O-CA 3.48Å; N156-G227 WeakPolarHBondContact CB-O 3.46Å; N156-G227 PolarHBondContact N-O 3.05Å; N225-G227 PolarHBondContact O-N 2.65Å |
| 228 | S | 94.9 | Very high | 76.1 | Confident | 32 Ų | 32 | 77.6 Ų | 77.6 | 22% | 0.224 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -64.8 | 153.6 | 165 | 69.6 | 0 | 0 | 0 | 0 | 111 | N225 E226 S230 Y231 V232 | N225-S228 VanDerWaalsContact O-CB 3.23Å; N225-S228 WeakPolarHBondContact O-CB 3.45Å; N225-S228 PolarHBondContact O-N 3.28Å; N225-S228 PolarHBondContact O-OG 3.02Å; E226-S228 PolarHBondContact O-N 3.26Å; E226-S228 VanDerWaalsContact O-N 3.1Å; S228-S230 PolarHBondContact O-N 3.44Å; S228-S230 PolarHBondContact OG-OG 3.48Å; S228-Y231 WeakPolarHBondContact O-CB 3.4Å; S228-Y231 PolarHBondContact O-N 2.92Å; S228-Y231 WeakPolarHBondContact OG-CB 3.3Å; S228-Y231 PolarHBondContact OG-N 2.62Å; S228-V232 WeakPolarHBondContact O-CG2 3.34Å; S228-V232 PolarHBondContact O-N 3.13Å |
| 229 | T | 95 | Very high | 78.5 | Confident | 37 Ų | 37 | 71 Ų | 71 | 23% | 0.227 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.2 | -36.1 | -179.1 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | V158 V232 V233 A380 L383 V384 | V158-T229 HydrophobicContact CG2-CG2 4.01Å; T229-V232 PolarHBondContact O-N 3.04Å; T229-V233 WeakPolarHBondContact O-CB 3.17Å; T229-V233 VanDerWaalsContact O-CG2 3.24Å; T229-V233 WeakPolarHBondContact O-CG2 3.37Å; T229-V233 PolarHBondContact O-N 3.12Å; T229-A380 HydrophobicContact CG2-CB 3.95Å; T229-L383 HydrophobicContact CG2-CB 3.99Å; T229-L383 HydrophobicContact CG2-CD1 4.05Å; T229-V384 HydrophobicContact CG2-CG2 4.4Å |
| 230 | S | 94.4 | Very high | 80.8 | Confident | 77 Ų | 77 | 65 Ų | 65 | 54% | 0.538 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.8 | -37.9 | 176.1 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | S228 R234 | S228-S230 PolarHBondContact O-N 3.44Å; S228-S230 PolarHBondContact OG-OG 3.48Å; S230-R234 WeakPolarHBondContact O-CB 3.26Å; S230-R234 PolarHBondContact O-N 3.24Å |
| 231 | Y | 94.8 | Very high | 83 | Confident | 29 Ų | 29 | 63.9 Ų | 63.9 | 11% | 0.114 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.3 | -49.5 | 173.3 | 175.5 | -86.8 | 0 | 0 | 0 | 110.9 | V153 N225 E226 S228 V233 R234 R235 | V153-Y231 HydrophobicContact CG1-CD1 4.33Å; V153-Y231 HydrophobicContact CG1-CE1 4.04Å; N225-Y231 WeakPolarHBondContact O-CB 3.44Å; E226-Y231 HydrophobicContact CG-CE1 4.1Å; S228-Y231 WeakPolarHBondContact O-CB 3.4Å; S228-Y231 PolarHBondContact O-N 2.92Å; S228-Y231 WeakPolarHBondContact OG-CB 3.3Å; S228-Y231 PolarHBondContact OG-N 2.62Å; Y231-V233 PolarHBondContact O-N 3.2Å; Y231-R234 WeakPolarHBondContact O-CB 3.5Å; Y231-R234 PolarHBondContact O-N 3.42Å; Y231-R235 HydrophobicContact CD1-CG 4.18Å; Y231-R235 HydrophobicContact CE1-CG 3.73Å; Y231-R235 WeakPolarHBondContact O-CG 3.46Å; Y231-R235 PolarHBondContact O-N 3.1Å |
| 232 | V | 96.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 179.8 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | L95 V153 V155 S228 T229 R234 R235 L236 V384 | L95-V232 HydrophobicContact CD1-CG1 4.4Å; L95-V232 HydrophobicContact CD2-CG1 3.88Å; V153-V232 HydrophobicContact CG1-CB 4.34Å; V153-V232 HydrophobicContact CG1-CG1 4.28Å; V153-V232 HydrophobicContact CG1-CG2 3.95Å; V155-V232 HydrophobicContact CG2-CG2 4.12Å; S228-V232 WeakPolarHBondContact O-CG2 3.34Å; S228-V232 PolarHBondContact O-N 3.13Å; T229-V232 PolarHBondContact O-N 3.04Å; V232-R234 VanDerWaalsContact C-N 3.32Å; V232-R234 PolarHBondContact O-N 2.89Å; V232-R235 PolarHBondContact O-N 2.88Å; V232-R235 VanDerWaalsContact O-N 3.16Å; V232-L236 HydrophobicContact CG1-CD1 3.77Å; V232-L236 HydrophobicContact CG1-CG 4.47Å; V232-L236 WeakPolarHBondContact O-CG 3.43Å; V232-L236 PolarHBondContact O-N 2.92Å; V232-V384 HydrophobicContact CB-CG2 3.97Å; V232-V384 HydrophobicContact CG1-CG1 3.94Å; V232-V384 HydrophobicContact CG1-CG2 3.71Å |
| 233 | V | 95.4 | Very high | 86.2 | Confident | 34 Ų | 34 | 68.5 Ų | 68.5 | 21% | 0.206 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.4 | -42 | 176.9 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | T229 Y231 R235 L236 A237 V384 A387 | T229-V233 WeakPolarHBondContact O-CB 3.17Å; T229-V233 VanDerWaalsContact O-CG2 3.24Å; T229-V233 WeakPolarHBondContact O-CG2 3.37Å; T229-V233 PolarHBondContact O-N 3.12Å; Y231-V233 PolarHBondContact O-N 3.2Å; V233-R235 VanDerWaalsContact C-N 3.33Å; V233-R235 PolarHBondContact O-N 3.11Å; V233-L236 PolarHBondContact O-N 3.16Å; V233-A237 VanDerWaalsContact O-CB 3.3Å; V233-A237 WeakPolarHBondContact O-CB 3.42Å; V233-A237 PolarHBondContact O-N 3.13Å; V233-V384 HydrophobicContact CG2-CB 4.37Å; V233-V384 HydrophobicContact CG2-CG1 4.42Å; V233-V384 HydrophobicContact CG2-CG2 4.26Å; V233-A387 HydrophobicContact CB-CB 4.33Å; V233-A387 HydrophobicContact CG1-CB 3.58Å; V233-A387 HydrophobicContact CG2-CB 3.69Å |
| 234 | R | 94.1 | Very high | 87.6 | Confident | 121 Ų | 121 | 63.2 Ų | 63.2 | 46% | 0.457 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 177.3 | -178.2 | 176.5 | 62.1 | 149.9 | 7.5 | 111.8 | E222 S230 Y231 V232 | E222-R234 IonicContact OE1-CZ 2.87Å; E222-R234 VanDerWaalsContact OE1-CZ 3.23Å; E222-R234 IonicContact OE1-NH1 3.03Å; E222-R234 PolarHBondContact OE1-NH1 3.02Å; E222-R234 IonicContact OE1-NH2 3.3Å; E222-R234 PolarHBondContact OE1-NH2 2.99Å; S230-R234 WeakPolarHBondContact O-CB 3.26Å; S230-R234 PolarHBondContact O-N 3.24Å; Y231-R234 WeakPolarHBondContact O-CB 3.5Å; Y231-R234 PolarHBondContact O-N 3.42Å; V232-R234 VanDerWaalsContact C-N 3.32Å; V232-R234 PolarHBondContact O-N 2.89Å |
| 235 | R | 93.8 | Very high | 89 | Confident | 61 Ų | 61 | 55.3 Ų | 55.3 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.3 | -39.1 | 176.1 | -64.5 | -63.6 | -66.9 | 165.4 | 0.7 | 112.1 | N151 V153 Y231 V232 V233 T238 | N151-R235 PolarHBondContact ND2-NH2 3.3Å; N151-R235 PolarHBondContact OD1-NH2 2.71Å; V153-R235 HydrophobicContact CG1-CB 4.43Å; V153-R235 HydrophobicContact CG1-CG 4.41Å; V153-R235 HydrophobicContact CG2-CB 4.06Å; V153-R235 HydrophobicContact CG2-CG 4.37Å; Y231-R235 HydrophobicContact CD1-CG 4.18Å; Y231-R235 HydrophobicContact CE1-CG 3.73Å; Y231-R235 WeakPolarHBondContact O-CG 3.46Å; Y231-R235 PolarHBondContact O-N 3.1Å; V232-R235 PolarHBondContact O-N 2.88Å; V232-R235 VanDerWaalsContact O-N 3.16Å; V233-R235 VanDerWaalsContact C-N 3.33Å; V233-R235 PolarHBondContact O-N 3.11Å; R235-T238 PolarHBondContact O-N 2.77Å; R235-T238 PolarHBondContact O-OG1 3.1Å |
| 236 | L | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.3 | -31.8 | 177.3 | -71.3 | 167.3 | 0 | 0 | 0 | 112.7 | V45 V93 L95 V232 V233 T238 F239 L240 V384 L388 | V45-L236 HydrophobicContact CG1-CD2 4.32Å; V45-L236 HydrophobicContact CG2-CD2 4.11Å; V93-L236 HydrophobicContact CB-CD2 3.83Å; V93-L236 HydrophobicContact CG1-CD2 3.69Å; V93-L236 HydrophobicContact CG2-CD2 3.85Å; L95-L236 HydrophobicContact CD1-CD1 4.12Å; L95-L236 HydrophobicContact CD2-CD1 4.34Å; L95-L236 HydrophobicContact CD2-CD2 4.48Å; V232-L236 HydrophobicContact CG1-CD1 3.77Å; V232-L236 HydrophobicContact CG1-CG 4.47Å; V232-L236 WeakPolarHBondContact O-CG 3.43Å; V232-L236 PolarHBondContact O-N 2.92Å; V233-L236 PolarHBondContact O-N 3.16Å; L236-T238 PolarHBondContact O-N 2.79Å; L236-F239 WeakPolarHBondContact O-CA 3.27Å; L236-F239 WeakPolarHBondContact O-CB 3.37Å; L236-F239 PolarHBondContact O-N 3.47Å; L236-L240 PolarHBondContact O-N 3.3Å; L236-V384 HydrophobicContact CD1-CG1 3.51Å; L236-L388 HydrophobicContact CB-CD2 3.78Å; L236-L388 HydrophobicContact CD1-CD1 3.84Å; L236-L388 HydrophobicContact CD1-CD2 4.32Å |
| 237 | A | 89.6 | Confident | 90.3 | Very high | 65 Ų | 65 | 48.1 Ų | 48.1 | 54% | 0.537 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.2 | -23.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | V233 F239 | V233-A237 VanDerWaalsContact O-CB 3.3Å; V233-A237 WeakPolarHBondContact O-CB 3.42Å; V233-A237 PolarHBondContact O-N 3.13Å; A237-F239 PolarHBondContact O-N 2.93Å |
| 238 | T | 87.4 | Confident | 90.8 | Very high | 111 Ų | 111 | 48.1 Ų | 48.1 | 68% | 0.681 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -11.4 | 171.2 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | R235 L236 | R235-T238 PolarHBondContact O-N 2.77Å; R235-T238 PolarHBondContact O-OG1 3.1Å; L236-T238 PolarHBondContact O-N 2.79Å |
| 239 | F | 84.9 | Confident | 91 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -40.8 | -172.4 | 176.9 | -93.7 | 0 | 0 | 0 | 113 | R43 V45 Y91 V93 L236 A237 | R43-F239 HydrophobicContact CB-CE1 3.69Å; R43-F239 HydrophobicContact CB-CZ 3.84Å; R43-F239 WeakPolarHBondContact CD-O 3.23Å; R43-F239 HydrophobicContact CG-CE1 4.07Å; R43-F239 HydrophobicContact CG-CZ 4.04Å; R43-F239 PolarHBondContact NE-O 3.31Å; V45-F239 HydrophobicContact CG2-CE1 4.34Å; Y91-F239 VanDerWaalsContact C-CZ 3.49Å; Y91-F239 VanDerWaalsContact CB-CE2 3.43Å; Y91-F239 HydrophobicContact CD1-CD2 4.48Å; Y91-F239 HydrophobicContact CD1-CE2 4.17Å; Y91-F239 HydrophobicContact CG-CE2 4.25Å; V93-F239 HydrophobicContact CG2-CB 4.15Å; V93-F239 HydrophobicContact CG2-CD1 3.63Å; V93-F239 HydrophobicContact CG2-CD2 3.56Å; V93-F239 HydrophobicContact CG2-CE1 3.78Å; V93-F239 HydrophobicContact CG2-CE2 3.65Å; V93-F239 HydrophobicContact CG2-CG 3.54Å; V93-F239 HydrophobicContact CG2-CZ 3.79Å; L236-F239 WeakPolarHBondContact O-CA 3.27Å; L236-F239 WeakPolarHBondContact O-CB 3.37Å; L236-F239 PolarHBondContact O-N 3.47Å; A237-F239 PolarHBondContact O-N 2.93Å |
| 240 | L | 88.2 | Confident | 91.2 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | trans | -103.4 | 126.5 | 177 | -59.8 | -177.5 | 0 | 0 | 0 | 111.2 | R43 V45 L236 Y246 L388 P389 | R43-L240 HydrophobicContact CB-CD2 4.22Å; V45-L240 HydrophobicContact CG2-CD1 4.28Å; L236-L240 PolarHBondContact O-N 3.3Å; L240-Y246 HydrophobicContact CD1-CD1 3.92Å; L240-Y246 HydrophobicContact CD1-CD2 4.15Å; L240-Y246 HydrophobicContact CD1-CE1 3.92Å; L240-Y246 HydrophobicContact CD1-CE2 4.15Å; L240-Y246 HydrophobicContact CD1-CG 4.04Å; L240-Y246 HydrophobicContact CD2-CD1 4.11Å; L240-Y246 HydrophobicContact CD2-CD2 4.46Å; L240-Y246 HydrophobicContact CD2-CG 3.87Å; L240-L388 HydrophobicContact CD1-CD1 4.27Å; L240-L388 HydrophobicContact CD1-CD2 4.28Å; L240-P389 HydrophobicContact CB-CG 4.44Å; L240-P389 HydrophobicContact CD1-CG 4.42Å | ||
| 241 | S | 82.9 | Confident | 91.4 | Very high | 50 Ų | 50 | 41.3 Ų | 41.3 | 35% | 0.35 | 22% | 0.222 | S | C | . | . | trans | -91.2 | 162.7 | 157.6 | 75.9 | 0 | 0 | 0 | 0 | 111 | T243 D244 | S241-T243 PolarHBondContact O-N 3.14Å; S241-D244 WeakPolarHBondContact CB-OD2 3.47Å; S241-D244 PolarHBondContact N-OD2 3.12Å; S241-D244 PolarHBondContact O-N 3.08Å; S241-D244 VanDerWaalsContact O-N 3.12Å; S241-D244 PolarHBondContact OG-OD2 2.8Å | ||
| 242 | E | 76.6 | Confident | 91.6 | Very high | 182 Ų | 182 | 39.9 Ų | 39.9 | 85% | 0.85 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -25.7 | 179.6 | -67.4 | -176.5 | 171.6 | 0 | 0 | 114.1 | ||
| 243 | T | 79.3 | Confident | 91.7 | Very high | 118 Ų | 118 | 40 Ų | 40 | 72% | 0.724 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -6.9 | -174.9 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | S241 P245 | S241-T243 PolarHBondContact O-N 3.14Å; T243-P245 WeakPolarHBondContact O-CD 3.39Å |
| 244 | D | 84.6 | Confident | 91.9 | Very high | 35 Ų | 35 | 38.4 Ų | 38.4 | 19% | 0.187 | 21% | 0.207 | C | C | . | . | trans | -74 | 123.6 | -174.7 | -76.1 | -47.8 | 0 | 0 | 0 | 111.2 | R43 S241 Y246 | R43-D244 IonicContact CZ-OD1 3.01Å; R43-D244 IonicContact CZ-OD2 2.8Å; R43-D244 VanDerWaalsContact CZ-OD2 3.24Å; R43-D244 IonicContact NE-OD2 2.7Å; R43-D244 IonicContact NH1-OD1 3.57Å; R43-D244 PolarHBondContact NH1-OD1 2.99Å; R43-D244 IonicContact NH1-OD2 3.19Å; R43-D244 IonicContact NH2-OD1 3.86Å; R43-D244 PolarHBondContact NH2-OD1 3.16Å; R43-D244 IonicContact NH2-OD2 3.36Å; R43-D244 PolarHBondContact NH2-OD2 3.44Å; S241-D244 WeakPolarHBondContact CB-OD2 3.47Å; S241-D244 PolarHBondContact N-OD2 3.12Å; S241-D244 PolarHBondContact O-N 3.08Å; S241-D244 VanDerWaalsContact O-N 3.12Å; S241-D244 PolarHBondContact OG-OD2 2.8Å; D244-Y246 PolarHBondContact O-N 2.67Å | ||
| 245 | P | 89.1 | Confident | 92.1 | Very high | 20 Ų | 20 | 32.6 Ų | 32.6 | 13% | 0.13 | 19% | 0.185 | C | C | . | . | trans | -64.4 | 131.3 | 166.3 | 24.3 | -27.6 | 0 | 0 | 0 | 109.6 | L37 P38 T243 | L37-P245 HydrophobicContact CD2-CB 4.38Å; P38-P245 HydrophobicContact CG-CG 3.77Å; T243-P245 WeakPolarHBondContact O-CD 3.39Å | ||
| 246 | Y | 96.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 158.6 | 170.1 | 80.8 | -79.2 | 0 | 0 | 0 | 111 | R43 V45 L240 D244 L248 P389 P391 T392 | R43-Y246 CarbonylContact O-C 3.58Å; R43-Y246 WeakPolarHBondContact O-CA 3.14Å; R43-Y246 WeakPolarHBondContact O-CB 3.33Å; V45-Y246 HydrophobicContact CB-CD2 4.26Å; V45-Y246 HydrophobicContact CB-CE2 4.31Å; V45-Y246 HydrophobicContact CG2-CD2 3.78Å; V45-Y246 HydrophobicContact CG2-CE2 4.01Å; L240-Y246 HydrophobicContact CD1-CD1 3.92Å; L240-Y246 HydrophobicContact CD1-CD2 4.15Å; L240-Y246 HydrophobicContact CD1-CE1 3.92Å; L240-Y246 HydrophobicContact CD1-CE2 4.15Å; L240-Y246 HydrophobicContact CD1-CG 4.04Å; L240-Y246 HydrophobicContact CD2-CD1 4.11Å; L240-Y246 HydrophobicContact CD2-CD2 4.46Å; L240-Y246 HydrophobicContact CD2-CG 3.87Å; D244-Y246 PolarHBondContact O-N 2.67Å; Y246-L248 HydrophobicContact CE2-CB 4.07Å; Y246-P389 HydrophobicContact CE1-CG 4.1Å; Y246-P389 VanDerWaalsContact CE1-O 3.28Å; Y246-P389 WeakPolarHBondContact CE1-O 3.26Å; Y246-P389 PolarHBondContact OH-O 2.98Å; Y246-P391 HydrophobicContact CD2-CB 4.47Å; Y246-P391 VanDerWaalsContact CE1-CA 3.46Å; Y246-P391 HydrophobicContact CE1-CB 3.98Å; Y246-P391 HydrophobicContact CE2-CB 3.88Å; Y246-P391 WeakPolarHBondContact OH-CD 3.34Å; Y246-T392 PolarHBondContact O-N 3.21Å |
| 247 | I | 98.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.3 | 172.6 | -54.2 | 173 | 0 | 0 | 0 | 106.9 | I28 L37 I42 R43 L44 V45 | I28-I247 HydrophobicContact CB-CD1 4.38Å; I28-I247 HydrophobicContact CD1-CD1 3.97Å; I28-I247 HydrophobicContact CG1-CD1 3.96Å; I28-I247 HydrophobicContact CG2-CD1 3.57Å; L37-I247 HydrophobicContact CD1-CD1 3.76Å; L37-I247 HydrophobicContact CD1-CG1 3.9Å; L37-I247 HydrophobicContact CD2-CG1 4.12Å; I42-I247 HydrophobicContact CG2-CD1 3.66Å; I42-I247 HydrophobicContact CG2-CG1 3.93Å; R43-I247 PolarHBondContact O-N 3.27Å; L44-I247 HydrophobicContact CD1-CB 3.85Å; L44-I247 HydrophobicContact CD1-CG2 3.93Å; V45-I247 PolarHBondContact N-O 2.97Å |
| 248 | L | 98.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 110.3 | 166.1 | 176 | 63.2 | 0 | 0 | 0 | 107.3 | V45 L47 Y246 I250 L385 P391 L393 V394 T395 L421 | V45-L248 HydrophobicContact CB-CD1 4.34Å; V45-L248 HydrophobicContact CG1-CD1 4.17Å; L47-L248 HydrophobicContact CD1-CD1 3.54Å; Y246-L248 HydrophobicContact CE2-CB 4.07Å; L248-I250 HydrophobicContact CD1-CG1 4.26Å; L248-I250 HydrophobicContact CD2-CD1 4.05Å; L248-I250 HydrophobicContact CG-CD1 4.08Å; L248-I250 HydrophobicContact CG-CG1 4.02Å; L248-L385 HydrophobicContact CD1-CD2 3.94Å; L248-L385 HydrophobicContact CD2-CD1 3.86Å; L248-L385 HydrophobicContact CD2-CD2 3.74Å; L248-L385 HydrophobicContact CD2-CG 4.48Å; L248-P391 HydrophobicContact CB-CB 3.88Å; L248-P391 HydrophobicContact CB-CG 4.14Å; L248-P391 HydrophobicContact CD2-CG 4.33Å; L248-L393 PolarHBondContact N-O 3.22Å; L248-L393 VanDerWaalsContact N-O 3.11Å; L248-V394 HydrophobicContact CB-CG2 4.32Å; L248-V394 HydrophobicContact CD2-CG2 4.23Å; L248-V394 VanDerWaalsContact O-CA 3.26Å; L248-V394 WeakPolarHBondContact O-CA 3.26Å; L248-T395 PolarHBondContact O-N 2.65Å; L248-L421 HydrophobicContact CD2-CD2 4.07Å |
| 249 | D | 98.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134.6 | 175.7 | -170.9 | 76.6 | 0 | 0 | 0 | 109.5 | H21 L44 V45 H46 L47 T395 | H21-D249 IonicContact CD2-OD2 3.95Å; H21-D249 IonicContact CE1-OD2 2.7Å; H21-D249 PolarHBondContact CE1-OD2 3.11Å; H21-D249 IonicContact NE2-OD1 3.01Å; H21-D249 IonicContact NE2-OD2 3.87Å; H21-D249 PolarHBondContact NE2-OD2 3.1Å; L44-D249 HydrophobicContact CD1-CB 3.69Å; V45-D249 PolarHBondContact O-N 3.36Å; H46-D249 IonicContact CE1-OD2 2.94Å; H46-D249 PolarHBondContact CE1-OD2 3.46Å; H46-D249 IonicContact ND1-OD2 3.84Å; H46-D249 PolarHBondContact ND1-OD2 3.29Å; L47-D249 PolarHBondContact N-O 2.86Å; D249-T395 WeakPolarHBondContact OD1-CB 3.46Å; D249-T395 PolarHBondContact OD1-OG1 3.48Å |
| 250 | I | 98.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 105.7 | -173.8 | -53.8 | 175.5 | 0 | 0 | 0 | 108.7 | L47 L248 L252 F255 V394 T395 M396 S397 V417 | L47-I250 HydrophobicContact CB-CG2 4.43Å; L47-I250 HydrophobicContact CD1-CG1 4.43Å; L248-I250 HydrophobicContact CD1-CG1 4.26Å; L248-I250 HydrophobicContact CD2-CD1 4.05Å; L248-I250 HydrophobicContact CG-CD1 4.08Å; L248-I250 HydrophobicContact CG-CG1 4.02Å; I250-L252 HydrophobicContact CG2-CD2 4.41Å; I250-F255 HydrophobicContact CG2-CE2 3.98Å; I250-V394 HydrophobicContact CD1-CG1 4.29Å; I250-T395 PolarHBondContact N-O 3.42Å; I250-M396 CarbonylContact O-C 3.56Å; I250-M396 WeakPolarHBondContact O-CA 3.49Å; I250-S397 PolarHBondContact O-N 2.68Å; I250-V417 HydrophobicContact CD1-CG1 3.86Å |
| 251 | D | 98.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 138.1 | 157.9 | -156 | -51.1 | 0 | 0 | 0 | 109.4 | H21 L47 D48 D253 F254 S397 S399 | H21-D251 IonicContact CE1-OD2 2.79Å; H21-D251 IonicContact CG-OD2 3.98Å; H21-D251 IonicContact ND1-OD2 2.83Å; H21-D251 PolarHBondContact ND1-OD2 3.06Å; L47-D251 PolarHBondContact O-N 2.86Å; D48-D251 HydrophobicContact CB-CB 4.05Å; D251-D253 VanDerWaalsContact C-N 3.25Å; D251-D253 PolarHBondContact OD1-N 3.01Å; D251-F254 VanDerWaalsContact O-CB 3.26Å; D251-F254 WeakPolarHBondContact O-CB 3.39Å; D251-F254 PolarHBondContact O-N 3.14Å; D251-S397 VanDerWaalsContact OD2-CB 3.29Å; D251-S397 WeakPolarHBondContact OD2-CB 3.47Å; D251-S397 PolarHBondContact OD2-OG 3.43Å; D251-S399 VanDerWaalsContact CG-OG 3.26Å; D251-S399 WeakPolarHBondContact OD1-CB 3.28Å; D251-S399 PolarHBondContact OD1-OG 3.31Å; D251-S399 VanDerWaalsContact OD1-OG 3.1Å; D251-S399 PolarHBondContact OD2-OG 3.36Å |
| 252 | L | 98.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -74.1 | -18.8 | 177.1 | -64 | -173.3 | 0 | 0 | 0 | 112.7 | I250 F254 F255 M396 S397 R398 V410 V413 Q414 V417 | I250-L252 HydrophobicContact CG2-CD2 4.41Å; L252-F254 PolarHBondContact O-N 3.17Å; L252-F255 HydrophobicContact CD2-CD2 4.48Å; L252-F255 HydrophobicContact CD2-CE2 4.45Å; L252-F255 PolarHBondContact O-N 2.81Å; L252-F255 VanDerWaalsContact O-N 3.11Å; L252-M396 HydrophobicContact CD1-SD 4.44Å; L252-M396 HydrophobicContact CD2-CE 4.44Å; L252-M396 HydrophobicContact CD2-CG 4.03Å; L252-M396 HydrophobicContact CD2-SD 3.93Å; L252-M396 HydrophobicContact CG-CG 4.21Å; L252-M396 HydrophobicContact CG-SD 4.42Å; L252-S397 VanDerWaalsContact CG-O 3.3Å; L252-S397 WeakPolarHBondContact CG-O 3.48Å; L252-S397 PolarHBondContact N-O 3.48Å; L252-S397 VanDerWaalsContact N-O 3.13Å; L252-R398 HydrophobicContact CD1-CG 4.25Å; L252-V410 HydrophobicContact CD1-CG2 3.69Å; L252-V413 HydrophobicContact CB-CG1 4.45Å; L252-V413 HydrophobicContact CD2-CG1 4.01Å; L252-Q414 HydrophobicContact CD1-CB 3.62Å; L252-Q414 HydrophobicContact CD1-CG 4.09Å; L252-V417 HydrophobicContact CD2-CG2 4.26Å |
| 253 | D | 98.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -66 | -15.9 | 173.3 | 80.3 | 2.6 | 0 | 0 | 0 | 113 | S49 H50 D251 F255 S256 C257 C405 | S49-D253 WeakPolarHBondContact CB-OD1 3.4Å; S49-D253 PolarHBondContact N-OD1 2.96Å; S49-D253 PolarHBondContact OG-O 3.39Å; H50-D253 IonicContact CE1-OD2 3.1Å; H50-D253 PolarHBondContact CE1-OD2 2.9Å; H50-D253 IonicContact ND1-OD2 3.69Å; H50-D253 PolarHBondContact ND1-OD2 2.87Å; D251-D253 VanDerWaalsContact C-N 3.25Å; D251-D253 PolarHBondContact OD1-N 3.01Å; D253-F255 PolarHBondContact O-N 3.39Å; D253-F255 VanDerWaalsContact O-N 3.16Å; D253-S256 WeakPolarHBondContact CA-O 3.5Å; D253-S256 CarbonylContact O-C 3.53Å; D253-S256 VanDerWaalsContact O-C 3.25Å; D253-S256 PolarHBondContact O-N 2.9Å; D253-C257 HydrophobicContact CB-CB 4.37Å; D253-C257 WeakPolarHBondContact O-CB 3.36Å; D253-C405 HydrophobicContact CB-CB 4.17Å |
| 254 | F | 98.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -54.3 | -33 | 169.2 | 173.6 | -93.2 | 0 | 0 | 0 | 111.8 | L47 L95 P97 W99 V155 D251 L252 L377 V381 | L47-F254 HydrophobicContact CB-CB 4.48Å; L47-F254 HydrophobicContact CB-CD2 4.03Å; L47-F254 HydrophobicContact CB-CE2 4.46Å; L47-F254 HydrophobicContact CB-CG 4.08Å; L47-F254 HydrophobicContact CD2-CE1 4.39Å; L95-F254 WeakPolarHBondContact O-CD2 3.31Å; L95-F254 VanDerWaalsContact O-CE2 3.26Å; L95-F254 WeakPolarHBondContact O-CE2 3.16Å; P97-F254 HydrophobicContact CB-CE2 4.42Å; P97-F254 HydrophobicContact CG-CD2 4.37Å; W99-F254 WeakPolarHBondContact CH2-O 3.44Å; W99-F254 WeakPolarHBondContact CZ2-O 3.18Å; V155-F254 HydrophobicContact CB-CE2 4.3Å; V155-F254 HydrophobicContact CB-CZ 3.93Å; V155-F254 HydrophobicContact CG1-CZ 4.02Å; V155-F254 HydrophobicContact CG2-CE2 4.4Å; V155-F254 HydrophobicContact CG2-CZ 4.26Å; D251-F254 VanDerWaalsContact O-CB 3.26Å; D251-F254 WeakPolarHBondContact O-CB 3.39Å; D251-F254 PolarHBondContact O-N 3.14Å; L252-F254 PolarHBondContact O-N 3.17Å; F254-L377 HydrophobicContact CE1-CB 4.45Å; F254-L377 HydrophobicContact CE1-CD2 4.33Å; F254-L377 HydrophobicContact CZ-CD2 4.45Å; F254-V381 HydrophobicContact CE1-CG2 3.71Å; F254-V381 HydrophobicContact CZ-CG2 4.27Å |
| 255 | F | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -21.4 | -176.4 | -61.2 | -81.1 | 0 | 0 | 0 | 113.4 | I250 L252 D253 S369 L377 I378 V381 V413 V417 | I250-F255 HydrophobicContact CG2-CE2 3.98Å; L252-F255 HydrophobicContact CD2-CD2 4.48Å; L252-F255 HydrophobicContact CD2-CE2 4.45Å; L252-F255 PolarHBondContact O-N 2.81Å; L252-F255 VanDerWaalsContact O-N 3.11Å; D253-F255 PolarHBondContact O-N 3.39Å; D253-F255 VanDerWaalsContact O-N 3.16Å; F255-S369 WeakPolarHBondContact O-CB 3.36Å; F255-S369 PolarHBondContact O-OG 3.22Å; F255-S369 VanDerWaalsContact O-OG 3.06Å; F255-L377 HydrophobicContact CD1-CB 3.75Å; F255-L377 HydrophobicContact CE1-CB 4.17Å; F255-I378 HydrophobicContact CD1-CD1 3.81Å; F255-I378 HydrophobicContact CD1-CG1 3.99Å; F255-I378 HydrophobicContact CE1-CD1 3.43Å; F255-I378 VanDerWaalsContact CE1-CD1 3.43Å; F255-I378 HydrophobicContact CE1-CG1 3.89Å; F255-I378 HydrophobicContact CE2-CD1 4.47Å; F255-I378 HydrophobicContact CG-CD1 4.49Å; F255-I378 HydrophobicContact CZ-CD1 3.8Å; F255-V381 HydrophobicContact CE1-CG2 3.98Å; F255-V381 HydrophobicContact CZ-CG2 4.06Å; F255-V413 HydrophobicContact CB-CG1 3.68Å; F255-V413 HydrophobicContact CB-CG2 4.37Å; F255-V413 HydrophobicContact CD2-CG1 3.39Å; F255-V413 HydrophobicContact CE2-CG1 4.17Å; F255-V413 HydrophobicContact CG-CG1 3.6Å; F255-V417 HydrophobicContact CD2-CG2 4.34Å; F255-V417 HydrophobicContact CE1-CG2 4.49Å; F255-V417 HydrophobicContact CE2-CG2 3.55Å; F255-V417 HydrophobicContact CZ-CG2 3.65Å |
| 256 | S | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -170.9 | 122.6 | 177.6 | -172.9 | 0 | 0 | 0 | 0 | 108.3 | D253 I368 S369 P406 Q409 | D253-S256 WeakPolarHBondContact CA-O 3.5Å; D253-S256 CarbonylContact O-C 3.53Å; D253-S256 VanDerWaalsContact O-C 3.25Å; D253-S256 PolarHBondContact O-N 2.9Å; S256-I368 WeakPolarHBondContact OG-CA 3.3Å; S256-S369 PolarHBondContact OG-N 2.87Å; S256-P406 WeakPolarHBondContact O-CD 3.41Å; S256-Q409 PolarHBondContact OG-OE1 2.87Å |
| 257 | C | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -124.8 | 140.8 | -171.7 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | S49 D253 H367 I368 Y404 | S49-C257 WeakPolarHBondContact OG-CB 3.16Å; D253-C257 HydrophobicContact CB-CB 4.37Å; D253-C257 WeakPolarHBondContact O-CB 3.36Å; C257-H367 PolarHBondContact N-O 2.92Å; C257-H367 CarbonylContact O-C 3.52Å; C257-H367 WeakPolarHBondContact O-CA 3.34Å; C257-H367 PolarHBondContact O-N 2.98Å; C257-H367 VanDerWaalsContact O-O 3.13Å; C257-I368 PolarHBondContact O-N 2.98Å; C257-Y404 CarbonylContact C-O 3.58Å; C257-Y404 WeakPolarHBondContact CA-O 3.5Å |
| 258 | K | 96 | Very high | 96 | Very high | 21 Ų | 21 | 30.3 Ų | 30.3 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | trans | -123.8 | 126.4 | 176.9 | 179 | 178.2 | 161.8 | 178.2 | 0 | 108.5 | P260 E263 I368 E403 Y404 P406 | K258-P260 WeakPolarHBondContact O-CD 3.29Å; K258-E263 WeakPolarHBondContact CE-OE1 3.39Å; K258-E263 VanDerWaalsContact CE-OE2 3.23Å; K258-E263 WeakPolarHBondContact CE-OE2 3.5Å; K258-E263 IonicContact NZ-OE1 3.84Å; K258-E263 PolarHBondContact NZ-OE1 2.85Å; K258-E263 IonicContact NZ-OE2 2.94Å; K258-E263 PolarHBondContact NZ-OE2 2.87Å; K258-I368 HydrophobicContact CB-CD1 3.61Å; K258-I368 HydrophobicContact CD-CD1 4.44Å; K258-I368 HydrophobicContact CG-CD1 4.09Å; K258-E403 WeakPolarHBondContact CB-O 3.44Å; K258-E403 WeakPolarHBondContact CD-O 3.27Å; K258-E403 IonicContact NZ-OE1 3.88Å; K258-Y404 PolarHBondContact N-O 3.39Å; K258-Y404 WeakPolarHBondContact O-CA 3.45Å; K258-Y404 VanDerWaalsContact O-CD1 3.29Å; K258-Y404 WeakPolarHBondContact O-CD1 3.42Å; K258-P406 HydrophobicContact CB-CG 4.43Å | ||
| 259 | N | 95 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -78 | 109.1 | 159.1 | 176.9 | -23.2 | 0 | 0 | 0 | 109.2 | F261 K262 Y270 L364 P365 H366 | N259-F261 VanDerWaalsContact C-N 3.31Å; N259-F261 PolarHBondContact O-N 3.01Å; N259-F261 WeakPolarHBondContact OD1-CB 3.18Å; N259-F261 PolarHBondContact OD1-N 3.2Å; N259-K262 HydrophobicContact CB-CD 4.17Å; N259-K262 HydrophobicContact CB-CG 4.2Å; N259-K262 PolarHBondContact O-N 3.43Å; N259-K262 PolarHBondContact OD1-N 3.36Å; N259-Y270 PolarHBondContact ND2-OH 2.83Å; N259-Y270 VanDerWaalsContact ND2-OH 3.09Å; N259-L364 HydrophobicContact CB-CB 4.29Å; N259-P365 PolarHBondContact N-O 3.24Å; N259-H366 HydrophobicContact CB-CB 3.79Å; N259-H366 PolarHBondContact N-ND1 3.3Å; N259-H366 VanDerWaalsContact N-ND1 3.16Å | ||
| 260 | P | 93.2 | Very high | 95.6 | Very high | 10 Ų | 10 | 30.6 Ų | 30.6 | 7% | 0.065 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -30.7 | -177.4 | 25.5 | -34.2 | 0 | 0 | 0 | 113.2 | K258 K262 E263 I264 E403 Y404 | K258-P260 WeakPolarHBondContact O-CD 3.29Å; P260-K262 PolarHBondContact O-N 3.37Å; P260-E263 PolarHBondContact O-N 3.22Å; P260-I264 PolarHBondContact O-N 2.85Å; P260-E403 HydrophobicContact CB-CB 4.16Å; P260-Y404 HydrophobicContact CG-CE1 4.22Å |
| 261 | F | 93.9 | Very high | 95.3 | Very high | 16 Ų | 16 | 32.9 Ų | 32.9 | 7% | 0.07 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.9 | -25.6 | -179.2 | -55.5 | -59.4 | 0 | 0 | 0 | 113.3 | N259 E263 I264 Y265 Y270 M351 Q354 A355 T358 L364 | N259-F261 VanDerWaalsContact C-N 3.31Å; N259-F261 PolarHBondContact O-N 3.01Å; N259-F261 WeakPolarHBondContact OD1-CB 3.18Å; N259-F261 PolarHBondContact OD1-N 3.2Å; F261-E263 PolarHBondContact O-N 3.33Å; F261-I264 HydrophobicContact CD1-CD1 4.34Å; F261-I264 PolarHBondContact O-N 2.86Å; F261-Y265 HydrophobicContact CB-CD2 4.32Å; F261-Y265 HydrophobicContact CD1-CE2 4.3Å; F261-Y265 PolarHBondContact O-N 3.17Å; F261-Y265 VanDerWaalsContact O-N 3.09Å; F261-Y270 HydrophobicContact CB-CE2 4.02Å; F261-M351 HydrophobicContact CE1-SD 3.81Å; F261-Q354 HydrophobicContact CZ-CB 4.47Å; F261-A355 HydrophobicContact CB-CB 4.05Å; F261-A355 HydrophobicContact CD1-CB 3.48Å; F261-A355 VanDerWaalsContact CD1-CB 3.48Å; F261-A355 HydrophobicContact CD2-CB 4.28Å; F261-A355 HydrophobicContact CE1-CB 3.91Å; F261-A355 HydrophobicContact CG-CB 3.68Å; F261-A355 HydrophobicContact CZ-CB 4.48Å; F261-T358 HydrophobicContact CE2-CG2 3.97Å; F261-L364 HydrophobicContact CD2-CD1 3.88Å; F261-L364 HydrophobicContact CE2-CD1 3.75Å |
| 262 | K | 91.1 | Very high | 95.2 | Very high | 80 Ų | 80 | 32.9 Ų | 32.9 | 35% | 0.348 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.7 | -20.4 | 174.3 | -72.4 | -174.5 | 175.9 | 174.3 | 0 | 114 | N259 P260 E363 H366 | N259-K262 HydrophobicContact CB-CD 4.17Å; N259-K262 HydrophobicContact CB-CG 4.2Å; N259-K262 PolarHBondContact O-N 3.43Å; N259-K262 PolarHBondContact OD1-N 3.36Å; P260-K262 PolarHBondContact O-N 3.37Å; K262-E363 WeakPolarHBondContact CE-OE1 3.5Å; K262-E363 IonicContact NZ-OE1 3.32Å; K262-E363 PolarHBondContact NZ-OE1 3.23Å; K262-E363 IonicContact NZ-OE2 3.47Å; K262-H366 HydrophobicContact CD-CB 4.07Å |
| 263 | E | 89.4 | Confident | 95.1 | Very high | 128 Ų | 128 | 32.9 Ų | 32.9 | 60% | 0.598 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -93.9 | -28.7 | 175.6 | -66.8 | -169.3 | -176.3 | 0 | 0 | 112.5 | K258 P260 F261 | K258-E263 WeakPolarHBondContact CE-OE1 3.39Å; K258-E263 VanDerWaalsContact CE-OE2 3.23Å; K258-E263 WeakPolarHBondContact CE-OE2 3.5Å; K258-E263 IonicContact NZ-OE1 3.84Å; K258-E263 PolarHBondContact NZ-OE1 2.85Å; K258-E263 IonicContact NZ-OE2 2.94Å; K258-E263 PolarHBondContact NZ-OE2 2.87Å; P260-E263 PolarHBondContact O-N 3.22Å; F261-E263 PolarHBondContact O-N 3.33Å |
| 264 | I | 92.8 | Very high | 94.8 | Very high | 64 Ų | 64 | 36.3 Ų | 36.3 | 33% | 0.328 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -75.9 | -40.6 | -179 | -61.2 | 170.4 | 0 | 0 | 0 | 111.4 | P260 F261 R343 | P260-I264 PolarHBondContact O-N 2.85Å; F261-I264 HydrophobicContact CD1-CD1 4.34Å; F261-I264 PolarHBondContact O-N 2.86Å; I264-R343 PolarHBondContact O-NH1 3.2Å |
| 265 | Y | 94.9 | Very high | 94.6 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -111.8 | 149.5 | -172.9 | -60.6 | -68.5 | 0 | 0 | 0 | 112.7 | F261 L340 M351 V352 A355 | F261-Y265 HydrophobicContact CB-CD2 4.32Å; F261-Y265 HydrophobicContact CD1-CE2 4.3Å; F261-Y265 PolarHBondContact O-N 3.17Å; F261-Y265 VanDerWaalsContact O-N 3.09Å; Y265-L340 HydrophobicContact CD1-CD2 3.91Å; Y265-L340 HydrophobicContact CE1-CD2 3.8Å; Y265-M351 WeakPolarHBondContact OH-CG 3.33Å; Y265-M351 PolarHBondContact OH-O 2.95Å; Y265-V352 HydrophobicContact CE1-CG2 3.69Å; Y265-V352 VanDerWaalsContact OH-CA 3.26Å; Y265-V352 WeakPolarHBondContact OH-CA 3.23Å; Y265-V352 VanDerWaalsContact OH-CG2 3.25Å; Y265-V352 WeakPolarHBondContact OH-CG2 3.5Å; Y265-V352 PolarHBondContact OH-N 3.24Å; Y265-V352 VanDerWaalsContact OH-N 3.08Å; Y265-A355 HydrophobicContact CD2-CB 3.98Å; Y265-A355 HydrophobicContact CE2-CB 3.51Å |
| 266 | T | 94.9 | Very high | 94.5 | Very high | 43 Ų | 43 | 43 Ų | 43 | 26% | 0.264 | 21% | 0.206 | S | C | . | . | trans | -73.3 | 161.4 | 175.6 | 83.3 | 0 | 0 | 0 | 0 | 111 | E268 E269 Y270 | T266-E268 WeakPolarHBondContact CB-OE2 3.34Å; T266-E268 PolarHBondContact O-N 3.16Å; T266-E268 PolarHBondContact OG1-N 3.17Å; T266-E268 PolarHBondContact OG1-OE2 3.2Å; T266-E269 PolarHBondContact N-OE2 3.32Å; T266-E269 PolarHBondContact O-N 2.94Å; T266-E269 VanDerWaalsContact O-N 3.16Å; T266-E269 PolarHBondContact OG1-N 2.95Å; T266-Y270 WeakPolarHBondContact O-CB 3.46Å; T266-Y270 PolarHBondContact O-N 3.08Å | ||
| 267 | Q | 93.3 | Very high | 94.4 | Very high | 132 Ų | 132 | 43 Ų | 43 | 62% | 0.617 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -57.8 | -34.9 | 176.6 | -171.6 | 60.8 | 52.8 | 0 | 0 | 112.2 | S271 | Q267-S271 WeakPolarHBondContact O-CB 3.29Å; Q267-S271 PolarHBondContact O-N 3Å; Q267-S271 PolarHBondContact O-OG 3.01Å |
| 268 | E | 94.5 | Very high | 94.3 | Very high | 121 Ų | 121 | 49.7 Ų | 49.7 | 57% | 0.565 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -68.2 | -45.9 | 176.8 | -61.6 | 73.6 | -159.4 | 0 | 0 | 111.9 | T266 S271 V272 | T266-E268 WeakPolarHBondContact CB-OE2 3.34Å; T266-E268 PolarHBondContact O-N 3.16Å; T266-E268 PolarHBondContact OG1-N 3.17Å; T266-E268 PolarHBondContact OG1-OE2 3.2Å; E268-S271 WeakPolarHBondContact O-CB 3.26Å; E268-S271 PolarHBondContact O-N 2.9Å; E268-V272 WeakPolarHBondContact O-CG2 3.4Å; E268-V272 PolarHBondContact O-N 2.86Å |
| 269 | E | 95.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 177.5 | -70.3 | 167.5 | 167.3 | 0 | 0 | 110.7 | T266 S271 V272 L273 L336 S339 R343 | T266-E269 PolarHBondContact N-OE2 3.32Å; T266-E269 PolarHBondContact O-N 2.94Å; T266-E269 VanDerWaalsContact O-N 3.16Å; T266-E269 PolarHBondContact OG1-N 2.95Å; E269-S271 VanDerWaalsContact C-N 3.28Å; E269-S271 PolarHBondContact O-N 3.19Å; E269-V272 WeakPolarHBondContact O-CA 3.34Å; E269-V272 WeakPolarHBondContact O-CB 3.34Å; E269-V272 PolarHBondContact O-N 3.07Å; E269-L273 PolarHBondContact O-N 3.32Å; E269-L336 HydrophobicContact CB-CD1 4.09Å; E269-L336 HydrophobicContact CG-CD1 4.27Å; E269-S339 VanDerWaalsContact CG-OG 3.29Å; E269-S339 WeakPolarHBondContact CG-OG 3.47Å; E269-S339 PolarHBondContact OE1-OG 2.9Å; E269-R343 VanDerWaalsContact CD-NH2 3.32Å; E269-R343 IonicContact OE1-CZ 3.47Å; E269-R343 IonicContact OE1-NE 2.84Å; E269-R343 PolarHBondContact OE1-NE 2.93Å; E269-R343 IonicContact OE1-NH2 3.26Å; E269-R343 PolarHBondContact OE1-NH2 2.78Å; E269-R343 IonicContact OE2-CZ 3.26Å; E269-R343 VanDerWaalsContact OE2-CZ 3.26Å; E269-R343 IonicContact OE2-NE 3.35Å; E269-R343 PolarHBondContact OE2-NE 2.93Å; E269-R343 IonicContact OE2-NH2 2.65Å; E269-R343 PolarHBondContact OE2-NH2 2.89Å |
| 270 | Y | 93.3 | Very high | 94.1 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -39.5 | 175.2 | -151.6 | -95.9 | 0 | 0 | 0 | 111.8 | N259 F261 T266 V272 L273 K274 C359 E363 | N259-Y270 PolarHBondContact ND2-OH 2.83Å; N259-Y270 VanDerWaalsContact ND2-OH 3.09Å; F261-Y270 HydrophobicContact CB-CE2 4.02Å; T266-Y270 WeakPolarHBondContact O-CB 3.46Å; T266-Y270 PolarHBondContact O-N 3.08Å; Y270-V272 VanDerWaalsContact C-N 3.26Å; Y270-V272 PolarHBondContact O-N 2.92Å; Y270-L273 PolarHBondContact O-N 3.39Å; Y270-K274 HydrophobicContact CD1-CD 4.33Å; Y270-K274 HydrophobicContact CD1-CG 4.31Å; Y270-K274 HydrophobicContact CE1-CD 4.42Å; Y270-K274 HydrophobicContact CE1-CG 4.41Å; Y270-K274 WeakPolarHBondContact O-CG 3.19Å; Y270-K274 PolarHBondContact O-N 2.94Å; Y270-C359 WeakPolarHBondContact CE2-SG 3.38Å; Y270-C359 PolarHBondContact OH-SG 2.86Å; Y270-E363 HydrophobicContact CE1-CG 4.18Å; Y270-E363 WeakPolarHBondContact CE1-OE1 3.41Å; Y270-E363 WeakPolarHBondContact OH-CG 3.4Å; Y270-E363 PolarHBondContact OH-OE1 2.99Å |
| 271 | S | 93.9 | Very high | 94.2 | Very high | 47 Ų | 47 | 62.2 Ų | 62.2 | 33% | 0.329 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.2 | -25.8 | 175 | -59.3 | 0 | 0 | 0 | 0 | 113.2 | Q267 E268 E269 K275 | Q267-S271 WeakPolarHBondContact O-CB 3.29Å; Q267-S271 PolarHBondContact O-N 3Å; Q267-S271 PolarHBondContact O-OG 3.01Å; E268-S271 WeakPolarHBondContact O-CB 3.26Å; E268-S271 PolarHBondContact O-N 2.9Å; E269-S271 VanDerWaalsContact C-N 3.28Å; E269-S271 PolarHBondContact O-N 3.19Å; S271-K275 WeakPolarHBondContact O-CG 3.16Å |
| 272 | V | 96.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -79 | -42 | 172.7 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | E268 E269 Y270 K274 K275 L276 Q335 L336 | E268-V272 WeakPolarHBondContact O-CG2 3.4Å; E268-V272 PolarHBondContact O-N 2.86Å; E269-V272 WeakPolarHBondContact O-CA 3.34Å; E269-V272 WeakPolarHBondContact O-CB 3.34Å; E269-V272 PolarHBondContact O-N 3.07Å; Y270-V272 VanDerWaalsContact C-N 3.26Å; Y270-V272 PolarHBondContact O-N 2.92Å; V272-K274 PolarHBondContact O-N 3.46Å; V272-K275 WeakPolarHBondContact O-CB 3.42Å; V272-K275 PolarHBondContact O-N 2.82Å; V272-L276 HydrophobicContact CG1-CD1 3.98Å; V272-L276 HydrophobicContact CG1-CG 4.27Å; V272-L276 WeakPolarHBondContact O-CG 3.37Å; V272-L276 PolarHBondContact O-N 2.86Å; V272-Q335 HydrophobicContact CG2-CG 4.32Å; V272-L336 HydrophobicContact CB-CB 4.48Å; V272-L336 HydrophobicContact CB-CD1 4.44Å; V272-L336 HydrophobicContact CG1-CB 3.73Å; V272-L336 HydrophobicContact CG1-CD1 4.46Å; V272-L336 HydrophobicContact CG1-CG 4.45Å |
| 273 | L | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.9 | -49.4 | 173.6 | -71.4 | 173.7 | 0 | 0 | 0 | 111 | E269 Y270 K275 L276 Y277 L336 V352 A355 C359 | E269-L273 PolarHBondContact O-N 3.32Å; Y270-L273 PolarHBondContact O-N 3.39Å; L273-K275 PolarHBondContact O-N 3.07Å; L273-K275 VanDerWaalsContact O-N 3.09Å; L273-L276 PolarHBondContact O-N 3.18Å; L273-Y277 HydrophobicContact CD2-CD2 4.38Å; L273-Y277 HydrophobicContact CD2-CE2 4.03Å; L273-Y277 WeakPolarHBondContact O-CD2 3.47Å; L273-Y277 PolarHBondContact O-N 3.43Å; L273-L336 HydrophobicContact CD2-CD2 3.67Å; L273-L336 HydrophobicContact CG-CD1 4.47Å; L273-L336 HydrophobicContact CG-CD2 4.37Å; L273-V352 HydrophobicContact CD2-CG1 3.85Å; L273-A355 HydrophobicContact CD1-CB 4.06Å; L273-C359 HydrophobicContact CB-CB 4.35Å |
| 274 | K | 93.7 | Very high | 94.3 | Very high | 73 Ų | 73 | 70.4 Ų | 70.4 | 32% | 0.317 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -53.5 | -33.1 | 174.3 | -72.7 | -169.4 | 178 | -167.6 | 0 | 114.1 | Y270 V272 Y278 C359 E363 | Y270-K274 HydrophobicContact CD1-CD 4.33Å; Y270-K274 HydrophobicContact CD1-CG 4.31Å; Y270-K274 HydrophobicContact CE1-CD 4.42Å; Y270-K274 HydrophobicContact CE1-CG 4.41Å; Y270-K274 WeakPolarHBondContact O-CG 3.19Å; Y270-K274 PolarHBondContact O-N 2.94Å; V272-K274 PolarHBondContact O-N 3.46Å; K274-Y278 WeakPolarHBondContact O-CA 3.28Å; K274-Y278 VanDerWaalsContact O-CB 3.31Å; K274-Y278 WeakPolarHBondContact O-CB 3.17Å; K274-Y278 PolarHBondContact O-N 2.92Å; K274-Y278 VanDerWaalsContact O-N 3.12Å; K274-C359 WeakPolarHBondContact CA-O 3.49Å; K274-C359 HydrophobicContact CG-CB 4Å; K274-C359 WeakPolarHBondContact CG-O 3.46Å; K274-E363 IonicContact NZ-OE1 3.82Å; K274-E363 IonicContact NZ-OE2 3.37Å; K274-E363 PolarHBondContact NZ-OE2 3.22Å |
| 275 | K | 94.6 | Very high | 94.1 | Very high | 136 Ų | 136 | 71.2 Ų | 71.2 | 59% | 0.591 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -77.6 | -40.5 | 177.8 | -71 | 170.4 | -174.1 | 173.5 | 0 | 112.4 | S271 V272 L273 | S271-K275 WeakPolarHBondContact O-CG 3.16Å; V272-K275 WeakPolarHBondContact O-CB 3.42Å; V272-K275 PolarHBondContact O-N 2.82Å; L273-K275 PolarHBondContact O-N 3.07Å; L273-K275 VanDerWaalsContact O-N 3.09Å |
| 276 | L | 96.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.7 | -42.5 | -180 | -70.5 | 172.3 | 0 | 0 | 0 | 111.1 | V272 L273 Q301 L305 S332 L333 L336 | V272-L276 HydrophobicContact CG1-CD1 3.98Å; V272-L276 HydrophobicContact CG1-CG 4.27Å; V272-L276 WeakPolarHBondContact O-CG 3.37Å; V272-L276 PolarHBondContact O-N 2.86Å; L273-L276 PolarHBondContact O-N 3.18Å; L276-Q301 PolarHBondContact O-NE2 3.06Å; L276-L305 HydrophobicContact CB-CD2 4.25Å; L276-S332 WeakPolarHBondContact CD2-OG 3.35Å; L276-L333 HydrophobicContact CD1-CD1 4.26Å; L276-L333 HydrophobicContact CD2-CB 4.49Å; L276-L336 HydrophobicContact CD1-CD2 3.7Å |
| 277 | Y | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -95.8 | 4.8 | -176.3 | -70.7 | -98.9 | 0 | 0 | 0 | 113.6 | L273 F279 R298 L302 L305 F309 H353 G356 L357 D360 | L273-Y277 HydrophobicContact CD2-CD2 4.38Å; L273-Y277 HydrophobicContact CD2-CE2 4.03Å; L273-Y277 WeakPolarHBondContact O-CD2 3.47Å; L273-Y277 PolarHBondContact O-N 3.43Å; Y277-F279 PolarHBondContact O-N 3.19Å; Y277-F279 VanDerWaalsContact O-N 3.09Å; Y277-R298 PolarHBondContact O-NH1 3.32Å; Y277-L302 HydrophobicContact CD1-CD2 4.32Å; Y277-L305 HydrophobicContact CD1-CD1 3.66Å; Y277-L305 HydrophobicContact CD2-CD1 4.35Å; Y277-L305 HydrophobicContact CE1-CB 4.2Å; Y277-L305 HydrophobicContact CE1-CD1 3.66Å; Y277-L305 HydrophobicContact CE1-CG 4.36Å; Y277-L305 HydrophobicContact CE2-CD1 4.33Å; Y277-L305 HydrophobicContact CE2-CD2 4.11Å; Y277-L305 HydrophobicContact CG-CD1 4.01Å; Y277-F309 HydrophobicContact CE2-CE2 4.09Å; Y277-F309 AromaticContact CZ-CE2 4Å; Y277-F309 VanDerWaalsContact OH-CD2 3.32Å; Y277-F309 WeakPolarHBondContact OH-CD2 3.45Å; Y277-F309 WeakPolarHBondContact OH-CE2 3.26Å; Y277-H353 AromaticContact CE1-ND1 3.95Å; Y277-H353 AromaticContact CZ-ND1 3.76Å; Y277-H353 PolarHBondContact OH-ND1 2.89Å; Y277-G356 WeakPolarHBondContact CB-O 3.43Å; Y277-G356 WeakPolarHBondContact CD1-O 3.42Å; Y277-G356 VanDerWaalsContact CD2-CA 3.47Å; Y277-G356 VanDerWaalsContact CE2-CA 3.47Å; Y277-L357 HydrophobicContact CD1-CD2 4.33Å; Y277-L357 HydrophobicContact CE1-CD2 3.98Å; Y277-L357 HydrophobicContact CE1-CG 4.25Å; Y277-D360 WeakPolarHBondContact O-CB 3.36Å |
| 278 | Y | 94.8 | Very high | 94.2 | Very high | 142 Ų | 142 | 71.9 Ų | 71.9 | 56% | 0.557 | 35% | 0.35 | S | S | * | . | trans | -49.9 | 120.6 | -179.6 | 178.8 | -101.3 | 0 | 0 | 0 | 110.9 | K274 R280 Q301 | K274-Y278 WeakPolarHBondContact O-CA 3.28Å; K274-Y278 VanDerWaalsContact O-CB 3.31Å; K274-Y278 WeakPolarHBondContact O-CB 3.17Å; K274-Y278 PolarHBondContact O-N 2.92Å; K274-Y278 VanDerWaalsContact O-N 3.12Å; Y278-R280 HydrophobicContact CE1-CB 4.36Å; Y278-Q301 PolarHBondContact O-NE2 2.99Å; Y278-Q301 VanDerWaalsContact O-NE2 3.1Å | ||
| 279 | F | 95.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.009 | 35% | 0.347 | C | S | . | . | trans | -88.6 | 130 | 175.1 | 174.4 | -124.6 | 0 | 0 | 0 | 109.7 | N128 L131 Y277 E281 C294 R298 D360 S361 | N128-F279 HydrophobicContact CB-CE1 4.28Å; L131-F279 HydrophobicContact CB-CE1 4.14Å; L131-F279 HydrophobicContact CB-CZ 3.68Å; Y277-F279 PolarHBondContact O-N 3.19Å; Y277-F279 VanDerWaalsContact O-N 3.09Å; F279-E281 HydrophobicContact CD1-CG 3.81Å; F279-E281 HydrophobicContact CE1-CB 4.45Å; F279-E281 HydrophobicContact CE1-CG 3.88Å; F279-E281 PolarHBondContact O-N 2.81Å; F279-C294 VanDerWaalsContact CZ-SG 3.51Å; F279-R298 HydrophobicContact CD2-CB 4.1Å; F279-R298 HydrophobicContact CD2-CG 3.88Å; F279-R298 HydrophobicContact CE2-CB 3.91Å; F279-R298 HydrophobicContact CE2-CG 4Å; F279-D360 HydrophobicContact CB-CB 3.91Å; F279-S361 WeakPolarHBondContact CD1-OG 3.26Å | ||
| 280 | R | 93 | Very high | 94.4 | Very high | 202 Ų | 202 | 70.6 Ų | 70.6 | 76% | 0.762 | 36% | 0.355 | S | S | * | . | trans | -92.8 | 95.3 | 176.2 | -175 | -178 | 175.2 | -168.5 | -5.3 | 109.4 | Y278 C294 | Y278-R280 HydrophobicContact CE1-CB 4.36Å; R280-C294 PolarHBondContact O-SG 3.36Å; R280-C294 VanDerWaalsContact O-SG 3.39Å | ||
| 281 | E | 94.3 | Very high | 94.6 | Very high | 90 Ų | 90 | 71 Ų | 71 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 146.6 | 179.1 | -61.7 | 175.8 | -164.6 | 0 | 0 | 113 | N128 F279 S361 | N128-E281 WeakPolarHBondContact ND2-CG 3.39Å; N128-E281 PolarHBondContact ND2-OE1 3.18Å; N128-E281 PolarHBondContact ND2-OE2 2.94Å; F279-E281 HydrophobicContact CD1-CG 3.81Å; F279-E281 HydrophobicContact CE1-CB 4.45Å; F279-E281 HydrophobicContact CE1-CG 3.88Å; F279-E281 PolarHBondContact O-N 2.81Å; E281-S361 WeakPolarHBondContact OE1-CB 3.25Å; E281-S361 PolarHBondContact OE1-OG 3.1Å |
| 282 | P | 94.9 | Very high | 94.7 | Very high | 25 Ų | 25 | 72 Ų | 72 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 167.2 | 172.9 | 34.5 | -37.2 | 0 | 0 | 0 | 110.9 | L131 A286 E290 L291 C294 | L131-P282 HydrophobicContact CD1-CG 3.71Å; P282-A286 HydrophobicContact CB-CB 3.85Å; P282-E290 HydrophobicContact CB-CG 4.38Å; P282-L291 HydrophobicContact CB-CD2 4.15Å; P282-L291 HydrophobicContact CG-CD2 3.9Å; P282-C294 HydrophobicContact CB-CB 4.4Å |
| 283 | R | 93.2 | Very high | 94.7 | Very high | 180 Ų | 180 | 77.5 Ų | 77.5 | 68% | 0.679 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 151.3 | 174.6 | -65.4 | 176.4 | -64.3 | -177.8 | 4.1 | 110.8 | G285 A286 E290 | R283-G285 PolarHBondContact O-N 2.74Å; R283-G285 VanDerWaalsContact O-N 3.17Å; R283-A286 WeakPolarHBondContact O-CB 3.09Å; R283-A286 PolarHBondContact O-N 3.32Å; R283-E290 VanDerWaalsContact CB-OE1 3.27Å; R283-E290 WeakPolarHBondContact CB-OE1 3.44Å; R283-E290 VanDerWaalsContact CG-OE1 3.25Å; R283-E290 WeakPolarHBondContact CG-OE1 3.43Å; R283-E290 IonicContact CZ-OE1 2.68Å; R283-E290 IonicContact CZ-OE2 2.79Å; R283-E290 VanDerWaalsContact CZ-OE2 3.26Å; R283-E290 PolarHBondContact N-OE1 3.14Å; R283-E290 IonicContact NE-OE1 3.23Å; R283-E290 PolarHBondContact NE-OE1 3.31Å; R283-E290 IonicContact NE-OE2 3.74Å; R283-E290 PolarHBondContact NE-OE2 2.72Å; R283-E290 IonicContact NH2-OE1 2.79Å; R283-E290 IonicContact NH2-OE2 3.2Å; R283-E290 PolarHBondContact NH2-OE2 3.1Å |
| 284 | M | 88.9 | Confident | 94.8 | Very high | 190 Ų | 190 | 78.2 Ų | 78.2 | 94% | 0.936 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 122.7 | 170.8 | -68.4 | -59 | -64.4 | 0 | 0 | 110.7 | ||
| 285 | G | 89.1 | Confident | 94.9 | Very high | 82 Ų | 82 | 75 Ų | 75 | 85% | 0.845 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 28.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R283 | R283-G285 PolarHBondContact O-N 2.74Å; R283-G285 VanDerWaalsContact O-N 3.17Å |
| 286 | A | 93.7 | Very high | 95 | Very high | 22 Ų | 22 | 72.9 Ų | 72.9 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | trans | -49 | 141.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P282 R283 E290 L291 | P282-A286 HydrophobicContact CB-CB 3.85Å; R283-A286 WeakPolarHBondContact O-CB 3.09Å; R283-A286 PolarHBondContact O-N 3.32Å; A286-E290 HydrophobicContact CB-CB 4.04Å; A286-E290 HydrophobicContact CB-CG 3.82Å; A286-L291 HydrophobicContact CB-CD2 4.1Å; A286-L291 HydrophobicContact CB-CG 4.12Å | ||
| 287 | D | 96 | Very high | 95 | Very high | 100 Ų | 100 | 78.3 Ų | 78.3 | 54% | 0.535 | 39% | 0.393 | S | S | . | . | trans | -79.3 | 170.9 | 172.1 | 64.8 | 32 | 0 | 0 | 0 | 110.7 | A289 E290 L291 | D287-A289 VanDerWaalsContact C-N 3.25Å; D287-A289 PolarHBondContact O-N 3.47Å; D287-A289 PolarHBondContact OD1-N 3.42Å; D287-E290 PolarHBondContact O-N 3.09Å; D287-E290 PolarHBondContact OD1-N 3.37Å; D287-L291 WeakPolarHBondContact O-CG 3.23Å; D287-L291 PolarHBondContact O-N 2.71Å | ||
| 288 | Q | 95.8 | Very high | 95 | Very high | 84 Ų | 84 | 78.5 Ų | 78.5 | 39% | 0.393 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -55.5 | -39.5 | -178 | 175.9 | 176.2 | -22 | 0 | 0 | 113 | C138 L291 E292 | C138-Q288 HydrophobicContact CB-CG 4.14Å; C138-Q288 PolarHBondContact SG-NE2 2.94Å; Q288-L291 PolarHBondContact O-N 3.4Å; Q288-E292 HydrophobicContact CG-CG 4.37Å; Q288-E292 VanDerWaalsContact CG-OE1 3.24Å; Q288-E292 WeakPolarHBondContact CG-OE1 3.3Å; Q288-E292 PolarHBondContact NE2-OE1 3.47Å; Q288-E292 WeakPolarHBondContact O-CB 3.43Å; Q288-E292 VanDerWaalsContact O-CG 3.27Å; Q288-E292 WeakPolarHBondContact O-CG 3.45Å; Q288-E292 PolarHBondContact O-N 3.03Å |
| 289 | A | 96.4 | Very high | 95.1 | Very high | 61 Ų | 61 | 74 Ų | 74 | 50% | 0.504 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.1 | -38.7 | -178 | 0 | 0 | 0 | 0 | 0 | 111.7 | D287 E293 | D287-A289 VanDerWaalsContact C-N 3.25Å; D287-A289 PolarHBondContact O-N 3.47Å; D287-A289 PolarHBondContact OD1-N 3.42Å; A289-E293 WeakPolarHBondContact O-CB 3.46Å; A289-E293 PolarHBondContact O-N 3.1Å |
| 290 | E | 97.3 | Very high | 95.2 | Very high | 34 Ų | 34 | 79.4 Ų | 79.4 | 16% | 0.159 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.3 | -38 | 174 | 179.1 | 173.5 | 172.8 | 0 | 0 | 112.1 | P282 R283 A286 D287 C294 | P282-E290 HydrophobicContact CB-CG 4.38Å; R283-E290 VanDerWaalsContact CB-OE1 3.27Å; R283-E290 WeakPolarHBondContact CB-OE1 3.44Å; R283-E290 VanDerWaalsContact CG-OE1 3.25Å; R283-E290 WeakPolarHBondContact CG-OE1 3.43Å; R283-E290 IonicContact CZ-OE1 2.68Å; R283-E290 IonicContact CZ-OE2 2.79Å; R283-E290 VanDerWaalsContact CZ-OE2 3.26Å; R283-E290 PolarHBondContact N-OE1 3.14Å; R283-E290 IonicContact NE-OE1 3.23Å; R283-E290 PolarHBondContact NE-OE1 3.31Å; R283-E290 IonicContact NE-OE2 3.74Å; R283-E290 PolarHBondContact NE-OE2 2.72Å; R283-E290 IonicContact NH2-OE1 2.79Å; R283-E290 IonicContact NH2-OE2 3.2Å; R283-E290 PolarHBondContact NH2-OE2 3.1Å; A286-E290 HydrophobicContact CB-CB 4.04Å; A286-E290 HydrophobicContact CB-CG 3.82Å; D287-E290 PolarHBondContact O-N 3.09Å; D287-E290 PolarHBondContact OD1-N 3.37Å; E290-C294 WeakPolarHBondContact O-CB 3.41Å; E290-C294 PolarHBondContact O-N 2.74Å |
| 291 | L | 97.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 72.3 Ų | 72.3 | 7% | 0.068 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 175.5 | -67.9 | 169.7 | 0 | 0 | 0 | 111.9 | T126 L131 Y136 P282 A286 D287 Q288 C294 V295 | T126-L291 HydrophobicContact CG2-CD1 3.59Å; T126-L291 HydrophobicContact CG2-CD2 4.48Å; L131-L291 HydrophobicContact CD1-CD2 3.95Å; L131-L291 HydrophobicContact CD2-CD2 4.27Å; Y136-L291 HydrophobicContact CD1-CB 4.33Å; Y136-L291 HydrophobicContact CE1-CB 3.76Å; Y136-L291 HydrophobicContact CE1-CD1 4.44Å; Y136-L291 HydrophobicContact CE2-CD1 4.39Å; P282-L291 HydrophobicContact CB-CD2 4.15Å; P282-L291 HydrophobicContact CG-CD2 3.9Å; A286-L291 HydrophobicContact CB-CD2 4.1Å; A286-L291 HydrophobicContact CB-CG 4.12Å; D287-L291 WeakPolarHBondContact O-CG 3.23Å; D287-L291 PolarHBondContact O-N 2.71Å; Q288-L291 PolarHBondContact O-N 3.4Å; L291-C294 WeakPolarHBondContact O-CB 3.33Å; L291-C294 PolarHBondContact O-N 3.36Å; L291-V295 WeakPolarHBondContact O-CG2 3.3Å; L291-V295 PolarHBondContact O-N 2.72Å |
| 292 | E | 96.1 | Very high | 95.4 | Very high | 69 Ų | 69 | 69.3 Ų | 69.3 | 32% | 0.322 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 175.9 | -72.6 | 168.4 | -179.6 | 0 | 0 | 111 | C138 Q288 C294 V295 D296 | C138-E292 PolarHBondContact SG-OE1 3.43Å; C138-E292 VanDerWaalsContact SG-OE1 3.39Å; Q288-E292 HydrophobicContact CG-CG 4.37Å; Q288-E292 VanDerWaalsContact CG-OE1 3.24Å; Q288-E292 WeakPolarHBondContact CG-OE1 3.3Å; Q288-E292 PolarHBondContact NE2-OE1 3.47Å; Q288-E292 WeakPolarHBondContact O-CB 3.43Å; Q288-E292 VanDerWaalsContact O-CG 3.27Å; Q288-E292 WeakPolarHBondContact O-CG 3.45Å; Q288-E292 PolarHBondContact O-N 3.03Å; E292-C294 VanDerWaalsContact C-N 3.32Å; E292-C294 PolarHBondContact O-N 2.86Å; E292-V295 PolarHBondContact O-N 3.11Å; E292-D296 WeakPolarHBondContact O-CB 3.46Å; E292-D296 PolarHBondContact O-N 3.04Å |
| 293 | E | 97.3 | Very high | 95.5 | Very high | 119 Ų | 119 | 73.2 Ų | 73.2 | 56% | 0.556 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.5 | -37.5 | 176.2 | -178.2 | -179.4 | -178.2 | 0 | 0 | 112.5 | A289 H297 | A289-E293 WeakPolarHBondContact O-CB 3.46Å; A289-E293 PolarHBondContact O-N 3.1Å; E293-H297 VanDerWaalsContact CG-CE1 3.45Å; E293-H297 WeakPolarHBondContact CG-CE1 3.34Å; E293-H297 WeakPolarHBondContact O-CB 3.36Å; E293-H297 VanDerWaalsContact O-CG 3.3Å; E293-H297 PolarHBondContact O-N 3.47Å; E293-H297 PolarHBondContact O-ND1 3.35Å; E293-H297 IonicContact OE1-CE1 3.24Å; E293-H297 PolarHBondContact OE1-CE1 3.01Å |
| 294 | C | 97.2 | Very high | 95.7 | Very high | 15 Ų | 15 | 67.5 Ų | 67.5 | 10% | 0.101 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.8 | -48.7 | 177.2 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | F279 R280 P282 E290 L291 E292 H297 R298 | F279-C294 VanDerWaalsContact CZ-SG 3.51Å; R280-C294 PolarHBondContact O-SG 3.36Å; R280-C294 VanDerWaalsContact O-SG 3.39Å; P282-C294 HydrophobicContact CB-CB 4.4Å; E290-C294 WeakPolarHBondContact O-CB 3.41Å; E290-C294 PolarHBondContact O-N 2.74Å; L291-C294 WeakPolarHBondContact O-CB 3.33Å; L291-C294 PolarHBondContact O-N 3.36Å; E292-C294 VanDerWaalsContact C-N 3.32Å; E292-C294 PolarHBondContact O-N 2.86Å; C294-H297 PolarHBondContact O-N 2.87Å; C294-R298 PolarHBondContact O-N 2.58Å |
| 295 | V | 96.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 58.6 Ų | 58.6 | 4% | 0.036 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 179.3 | 168.3 | 0 | 0 | 0 | 0 | 111 | L131 Y136 L291 E292 H297 R298 I299 | L131-V295 HydrophobicContact CB-CG2 4.44Å; L131-V295 HydrophobicContact CD2-CG2 3.7Å; Y136-V295 HydrophobicContact CD1-CG2 4.11Å; Y136-V295 HydrophobicContact CG-CG2 4.48Å; L291-V295 WeakPolarHBondContact O-CG2 3.3Å; L291-V295 PolarHBondContact O-N 2.72Å; E292-V295 PolarHBondContact O-N 3.11Å; V295-H297 VanDerWaalsContact C-N 3.35Å; V295-H297 PolarHBondContact O-N 3.41Å; V295-R298 PolarHBondContact O-N 2.77Å; V295-R298 VanDerWaalsContact O-N 3.11Å; V295-I299 HydrophobicContact CG1-CD1 3.71Å; V295-I299 HydrophobicContact CG1-CG1 4.32Å; V295-I299 WeakPolarHBondContact O-CG1 3.44Å; V295-I299 PolarHBondContact O-N 3.49Å |
| 296 | D | 96.3 | Very high | 96.5 | Very high | 90 Ų | 90 | 60 Ų | 60 | 48% | 0.481 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.9 | -48.1 | 176.8 | -79.1 | -11.3 | 0 | 0 | 0 | 110.9 | E292 R298 I299 H300 | E292-D296 WeakPolarHBondContact O-CB 3.46Å; E292-D296 PolarHBondContact O-N 3.04Å; D296-R298 VanDerWaalsContact C-N 3.28Å; D296-R298 PolarHBondContact O-N 3.3Å; D296-I299 PolarHBondContact O-N 2.74Å; D296-H300 PolarHBondContact O-N 2.89Å; D296-H300 VanDerWaalsContact O-N 3.12Å; D296-H300 PolarHBondContact O-ND1 3.48Å |
| 297 | H | 96.4 | Very high | 96.7 | Very high | 118 Ų | 118 | 60.9 Ų | 60.9 | 55% | 0.546 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 176.7 | -76.5 | 137.2 | 0 | 0 | 0 | 112.8 | E293 C294 V295 Q301 | E293-H297 VanDerWaalsContact CG-CE1 3.45Å; E293-H297 WeakPolarHBondContact CG-CE1 3.34Å; E293-H297 WeakPolarHBondContact O-CB 3.36Å; E293-H297 VanDerWaalsContact O-CG 3.3Å; E293-H297 PolarHBondContact O-N 3.47Å; E293-H297 PolarHBondContact O-ND1 3.35Å; E293-H297 IonicContact OE1-CE1 3.24Å; E293-H297 PolarHBondContact OE1-CE1 3.01Å; C294-H297 PolarHBondContact O-N 2.87Å; V295-H297 VanDerWaalsContact C-N 3.35Å; V295-H297 PolarHBondContact O-N 3.41Å; H297-Q301 WeakPolarHBondContact O-CB 3.47Å; H297-Q301 PolarHBondContact O-N 3.39Å; H297-Q301 VanDerWaalsContact O-N 3.08Å |
| 298 | R | 96.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.8 | -44.5 | 178.3 | 178.7 | 51 | 171.9 | -168.1 | -4.5 | 111.9 | S132 Y277 F279 C294 V295 D296 H300 Q301 L302 D360 | S132-R298 WeakPolarHBondContact O-CG 3.5Å; S132-R298 PolarHBondContact O-NE 3.22Å; Y277-R298 PolarHBondContact O-NH1 3.32Å; F279-R298 HydrophobicContact CD2-CB 4.1Å; F279-R298 HydrophobicContact CD2-CG 3.88Å; F279-R298 HydrophobicContact CE2-CB 3.91Å; F279-R298 HydrophobicContact CE2-CG 4Å; C294-R298 PolarHBondContact O-N 2.58Å; V295-R298 PolarHBondContact O-N 2.77Å; V295-R298 VanDerWaalsContact O-N 3.11Å; D296-R298 VanDerWaalsContact C-N 3.28Å; D296-R298 PolarHBondContact O-N 3.3Å; R298-H300 PolarHBondContact O-N 3.23Å; R298-Q301 WeakPolarHBondContact O-CB 3.16Å; R298-Q301 PolarHBondContact O-N 3.04Å; R298-Q301 VanDerWaalsContact O-N 3.14Å; R298-L302 HydrophobicContact CG-CD1 4.29Å; R298-L302 HydrophobicContact CG-CG 4.48Å; R298-L302 WeakPolarHBondContact O-CG 3.13Å; R298-L302 PolarHBondContact O-N 3.37Å; R298-D360 IonicContact CZ-OD2 3.55Å; R298-D360 IonicContact NH2-OD2 3.88Å; R298-D360 PolarHBondContact NH2-OD2 3.34Å |
| 299 | I | 95.9 | Very high | 96.9 | Very high | 49 Ų | 49 | 52.4 Ų | 52.4 | 25% | 0.251 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.1 | -50.1 | 176.6 | -69.6 | 167.7 | 0 | 0 | 0 | 110.1 | V295 D296 Q301 L302 E303 | V295-I299 HydrophobicContact CG1-CD1 3.71Å; V295-I299 HydrophobicContact CG1-CG1 4.32Å; V295-I299 WeakPolarHBondContact O-CG1 3.44Å; V295-I299 PolarHBondContact O-N 3.49Å; D296-I299 PolarHBondContact O-N 2.74Å; I299-Q301 VanDerWaalsContact C-N 3.29Å; I299-Q301 PolarHBondContact O-N 3.45Å; I299-L302 PolarHBondContact O-N 2.95Å; I299-L302 VanDerWaalsContact O-N 3.13Å; I299-E303 HydrophobicContact CG2-CG 4.27Å; I299-E303 WeakPolarHBondContact O-CG 3.38Å; I299-E303 PolarHBondContact O-N 3.38Å |
| 300 | H | 96.4 | Very high | 96.9 | Very high | 115 Ų | 115 | 51.8 Ų | 51.8 | 53% | 0.532 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.1 | -36.8 | 178.2 | -70.2 | 92.2 | 0 | 0 | 0 | 112.7 | D296 R298 D304 | D296-H300 PolarHBondContact O-N 2.89Å; D296-H300 VanDerWaalsContact O-N 3.12Å; D296-H300 PolarHBondContact O-ND1 3.48Å; R298-H300 PolarHBondContact O-N 3.23Å; H300-D304 WeakPolarHBondContact O-CB 3.4Å; H300-D304 PolarHBondContact O-N 3Å |
| 301 | Q | 96.7 | Very high | 96.9 | Very high | 53 Ų | 53 | 52.5 Ų | 52.5 | 25% | 0.248 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 174.9 | -179.8 | -169.2 | 21.8 | 0 | 0 | 111.2 | L276 Y278 H297 R298 I299 D304 L305 | L276-Q301 PolarHBondContact O-NE2 3.06Å; Y278-Q301 PolarHBondContact O-NE2 2.99Å; Y278-Q301 VanDerWaalsContact O-NE2 3.1Å; H297-Q301 WeakPolarHBondContact O-CB 3.47Å; H297-Q301 PolarHBondContact O-N 3.39Å; H297-Q301 VanDerWaalsContact O-N 3.08Å; R298-Q301 WeakPolarHBondContact O-CB 3.16Å; R298-Q301 PolarHBondContact O-N 3.04Å; R298-Q301 VanDerWaalsContact O-N 3.14Å; I299-Q301 VanDerWaalsContact C-N 3.29Å; I299-Q301 PolarHBondContact O-N 3.45Å; Q301-D304 PolarHBondContact O-N 3.3Å; Q301-L305 HydrophobicContact CG-CD1 3.91Å; Q301-L305 WeakPolarHBondContact O-CB 3.44Å; Q301-L305 WeakPolarHBondContact O-CD1 3.33Å; Q301-L305 WeakPolarHBondContact O-CG 3.47Å; Q301-L305 PolarHBondContact O-N 2.91Å |
| 302 | L | 96.1 | Very high | 96.9 | Very high | 26 Ų | 26 | 52 Ų | 52 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.2 | -43.1 | -179.8 | -69.4 | -178.7 | 0 | 0 | 0 | 111.7 | Y277 R298 I299 D304 L305 E306 L357 | Y277-L302 HydrophobicContact CD1-CD2 4.32Å; R298-L302 HydrophobicContact CG-CD1 4.29Å; R298-L302 HydrophobicContact CG-CG 4.48Å; R298-L302 WeakPolarHBondContact O-CG 3.13Å; R298-L302 PolarHBondContact O-N 3.37Å; I299-L302 PolarHBondContact O-N 2.95Å; I299-L302 VanDerWaalsContact O-N 3.13Å; L302-D304 VanDerWaalsContact C-N 3.35Å; L302-D304 PolarHBondContact O-N 2.83Å; L302-L305 PolarHBondContact O-N 3.22Å; L302-E306 WeakPolarHBondContact O-CB 3.3Å; L302-E306 PolarHBondContact O-N 3.02Å; L302-L357 HydrophobicContact CD2-CD2 3.68Å |
| 303 | E | 96.4 | Very high | 96.8 | Very high | 107 Ų | 107 | 53.6 Ų | 53.6 | 50% | 0.5 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 174.4 | -72 | 177.8 | 162.3 | 0 | 0 | 111.8 | I299 L305 A307 | I299-E303 HydrophobicContact CG2-CG 4.27Å; I299-E303 WeakPolarHBondContact O-CG 3.38Å; I299-E303 PolarHBondContact O-N 3.38Å; E303-L305 VanDerWaalsContact C-N 3.34Å; E303-L305 PolarHBondContact O-N 2.99Å; E303-A307 VanDerWaalsContact O-CB 3.27Å; E303-A307 WeakPolarHBondContact O-CB 3.25Å; E303-A307 PolarHBondContact O-N 3.25Å |
| 304 | D | 97.4 | Very high | 96.7 | Very high | 61 Ų | 61 | 56.2 Ų | 56.2 | 33% | 0.326 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 175.9 | -95.2 | -15 | 0 | 0 | 0 | 111.2 | H300 Q301 L302 A308 W324 K327 M330 | H300-D304 WeakPolarHBondContact O-CB 3.4Å; H300-D304 PolarHBondContact O-N 3Å; Q301-D304 PolarHBondContact O-N 3.3Å; L302-D304 VanDerWaalsContact C-N 3.35Å; L302-D304 PolarHBondContact O-N 2.83Å; D304-A308 WeakPolarHBondContact O-CB 3.41Å; D304-A308 PolarHBondContact O-N 3.48Å; D304-W324 VanDerWaalsContact O-CZ3 3.28Å; D304-W324 WeakPolarHBondContact O-CZ3 3.47Å; D304-K327 IonicContact OD1-NZ 3.83Å; D304-K327 PolarHBondContact OD1-NZ 3.36Å; D304-K327 IonicContact OD2-NZ 3.03Å; D304-M330 VanDerWaalsContact C-CE 3.45Å; D304-M330 HydrophobicContact CB-CE 3.63Å; D304-M330 WeakPolarHBondContact O-CE 3.44Å |
| 305 | L | 97.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.6 | -47.4 | 177.8 | -75.2 | 161.7 | 0 | 0 | 0 | 111.5 | L276 Y277 Q301 L302 E303 A307 A308 F309 M330 | L276-L305 HydrophobicContact CB-CD2 4.25Å; Y277-L305 HydrophobicContact CD1-CD1 3.66Å; Y277-L305 HydrophobicContact CD2-CD1 4.35Å; Y277-L305 HydrophobicContact CE1-CB 4.2Å; Y277-L305 HydrophobicContact CE1-CD1 3.66Å; Y277-L305 HydrophobicContact CE1-CG 4.36Å; Y277-L305 HydrophobicContact CE2-CD1 4.33Å; Y277-L305 HydrophobicContact CE2-CD2 4.11Å; Y277-L305 HydrophobicContact CG-CD1 4.01Å; Q301-L305 HydrophobicContact CG-CD1 3.91Å; Q301-L305 WeakPolarHBondContact O-CB 3.44Å; Q301-L305 WeakPolarHBondContact O-CD1 3.33Å; Q301-L305 WeakPolarHBondContact O-CG 3.47Å; Q301-L305 PolarHBondContact O-N 2.91Å; L302-L305 PolarHBondContact O-N 3.22Å; E303-L305 VanDerWaalsContact C-N 3.34Å; E303-L305 PolarHBondContact O-N 2.99Å; L305-A307 VanDerWaalsContact C-N 3.33Å; L305-A307 PolarHBondContact O-N 3.44Å; L305-A308 WeakPolarHBondContact O-CB 3.44Å; L305-A308 PolarHBondContact O-N 2.84Å; L305-A308 VanDerWaalsContact O-N 3.12Å; L305-F309 HydrophobicContact CD2-CE2 4.35Å; L305-F309 VanDerWaalsContact O-CD2 3.26Å; L305-F309 WeakPolarHBondContact O-CD2 3.45Å; L305-F309 PolarHBondContact O-N 3.1Å; L305-M330 HydrophobicContact CB-CE 4.47Å; L305-M330 HydrophobicContact CD2-CE 3.84Å; L305-M330 HydrophobicContact CG-CE 3.88Å |
| 306 | E | 97 | Very high | 96.6 | Very high | 112 Ų | 112 | 60.9 Ų | 60.9 | 52% | 0.523 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.7 | -49.1 | 175.8 | -176.3 | -179.1 | -173.6 | 0 | 0 | 110.5 | L302 A308 F309 A310 | L302-E306 WeakPolarHBondContact O-CB 3.3Å; L302-E306 PolarHBondContact O-N 3.02Å; E306-A308 VanDerWaalsContact C-N 3.32Å; E306-A308 PolarHBondContact O-N 3.15Å; E306-F309 PolarHBondContact O-N 2.62Å; E306-A310 WeakPolarHBondContact O-CB 3.22Å; E306-A310 PolarHBondContact O-N 2.83Å |
| 307 | A | 97.8 | Very high | 96.6 | Very high | 40 Ų | 40 | 57.6 Ų | 57.6 | 33% | 0.331 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.1 | -38 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E303 L305 D311 W324 | E303-A307 VanDerWaalsContact O-CB 3.27Å; E303-A307 WeakPolarHBondContact O-CB 3.25Å; E303-A307 PolarHBondContact O-N 3.25Å; L305-A307 VanDerWaalsContact C-N 3.33Å; L305-A307 PolarHBondContact O-N 3.44Å; A307-D311 PolarHBondContact O-N 3.21Å; A307-W324 HydrophobicContact CB-CH2 3.62Å; A307-W324 HydrophobicContact CB-CZ2 4.02Å |
| 308 | A | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D304 L305 E306 D311 L312 W324 M330 | D304-A308 WeakPolarHBondContact O-CB 3.41Å; D304-A308 PolarHBondContact O-N 3.48Å; L305-A308 WeakPolarHBondContact O-CB 3.44Å; L305-A308 PolarHBondContact O-N 2.84Å; L305-A308 VanDerWaalsContact O-N 3.12Å; E306-A308 VanDerWaalsContact C-N 3.32Å; E306-A308 PolarHBondContact O-N 3.15Å; A308-D311 PolarHBondContact O-N 2.96Å; A308-L312 VanDerWaalsContact O-CG 3.28Å; A308-L312 WeakPolarHBondContact O-CG 3.33Å; A308-L312 PolarHBondContact O-N 3.33Å; A308-W324 HydrophobicContact CB-CB 4.46Å; A308-W324 HydrophobicContact CB-CD2 3.58Å; A308-W324 HydrophobicContact CB-CE3 3.66Å; A308-W324 HydrophobicContact CB-CG 3.93Å; A308-W324 HydrophobicContact CB-CH2 4.35Å; A308-W324 HydrophobicContact CB-CZ2 4.32Å; A308-W324 HydrophobicContact CB-CZ3 3.99Å; A308-M330 HydrophobicContact CB-CE 4.33Å; A308-M330 HydrophobicContact CB-SD 4.47Å |
| 309 | F | 97.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 68.1 Ų | 68.1 | 2% | 0.022 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.6 | -32.8 | 179.8 | -80.3 | -81.2 | 0 | 0 | 0 | 112.5 | Y277 L305 E306 L312 L313 L333 L336 Y349 V352 H353 | Y277-F309 HydrophobicContact CE2-CE2 4.09Å; Y277-F309 AromaticContact CZ-CE2 4Å; Y277-F309 VanDerWaalsContact OH-CD2 3.32Å; Y277-F309 WeakPolarHBondContact OH-CD2 3.45Å; Y277-F309 WeakPolarHBondContact OH-CE2 3.26Å; L305-F309 HydrophobicContact CD2-CE2 4.35Å; L305-F309 VanDerWaalsContact O-CD2 3.26Å; L305-F309 WeakPolarHBondContact O-CD2 3.45Å; L305-F309 PolarHBondContact O-N 3.1Å; E306-F309 PolarHBondContact O-N 2.62Å; F309-L312 HydrophobicContact CD1-CD1 4.12Å; F309-L312 HydrophobicContact CE1-CD1 4.31Å; F309-L312 PolarHBondContact O-N 2.79Å; F309-L313 PolarHBondContact O-N 2.98Å; F309-L313 VanDerWaalsContact O-N 3.16Å; F309-L333 HydrophobicContact CZ-CD1 4.3Å; F309-L336 HydrophobicContact CZ-CD2 4.07Å; F309-Y349 AromaticContact CD1-CD1 3.98Å; F309-Y349 HydrophobicContact CD1-CD1 3.98Å; F309-Y349 HydrophobicContact CD1-CG 4.49Å; F309-Y349 WeakPolarHBondContact CD1-O 3.25Å; F309-Y349 HydrophobicContact CE1-CD1 4.11Å; F309-V352 HydrophobicContact CD1-CB 4.44Å; F309-V352 HydrophobicContact CD1-CG1 4.4Å; F309-V352 HydrophobicContact CE1-CB 3.88Å; F309-V352 HydrophobicContact CE1-CG1 3.41Å; F309-V352 VanDerWaalsContact CE1-CG1 3.41Å; F309-V352 HydrophobicContact CZ-CG1 3.81Å; F309-H353 HydrophobicContact CB-CB 3.97Å; F309-H353 HydrophobicContact CD1-CB 4.25Å; F309-H353 HydrophobicContact CD2-CB 4.13Å; F309-H353 AromaticContact CD2-ND1 3.82Å; F309-H353 HydrophobicContact CG-CB 3.85Å |
| 310 | A | 97.4 | Very high | 96.5 | Very high | 49 Ų | 49 | 66.6 Ų | 66.6 | 41% | 0.405 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112 | E306 L312 L313 | E306-A310 WeakPolarHBondContact O-CB 3.22Å; E306-A310 PolarHBondContact O-N 2.83Å; A310-L312 VanDerWaalsContact C-N 3.3Å; A310-L312 PolarHBondContact O-N 3.1Å; A310-L313 WeakPolarHBondContact O-CB 3.21Å; A310-L313 PolarHBondContact O-N 3.03Å |
| 311 | D | 97.6 | Very high | 96.5 | Very high | 48 Ų | 48 | 61.4 Ų | 61.4 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.8 | -35.2 | 175.5 | -80.3 | -9.4 | 0 | 0 | 0 | 112.2 | A307 A308 L313 E314 D315 T320 R323 W324 | A307-D311 PolarHBondContact O-N 3.21Å; A308-D311 PolarHBondContact O-N 2.96Å; D311-L313 VanDerWaalsContact C-N 3.29Å; D311-L313 PolarHBondContact O-N 3.04Å; D311-E314 PolarHBondContact O-N 3.48Å; D311-E314 VanDerWaalsContact O-N 3.16Å; D311-D315 PolarHBondContact O-N 3.47Å; D311-T320 HydrophobicContact CB-CG2 4.16Å; D311-R323 IonicContact OD2-CZ 3.84Å; D311-R323 IonicContact OD2-NH2 2.61Å; D311-R323 PolarHBondContact OD2-NH2 3.14Å; D311-W324 WeakPolarHBondContact OD2-CZ2 3.41Å; D311-W324 PolarHBondContact OD2-NE1 2.98Å |
| 312 | L | 97.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68 | -27.2 | 177.2 | -69.6 | 174 | 0 | 0 | 0 | 113 | A308 F309 A310 E314 D316 V321 L333 V337 Y349 | A308-L312 VanDerWaalsContact O-CG 3.28Å; A308-L312 WeakPolarHBondContact O-CG 3.33Å; A308-L312 PolarHBondContact O-N 3.33Å; F309-L312 HydrophobicContact CD1-CD1 4.12Å; F309-L312 HydrophobicContact CE1-CD1 4.31Å; F309-L312 PolarHBondContact O-N 2.79Å; A310-L312 VanDerWaalsContact C-N 3.3Å; A310-L312 PolarHBondContact O-N 3.1Å; L312-E314 VanDerWaalsContact C-N 3.28Å; L312-D316 HydrophobicContact CD2-CB 4.11Å; L312-V321 HydrophobicContact CD2-CG2 3.84Å; L312-L333 HydrophobicContact CD1-CD1 4.23Å; L312-V337 HydrophobicContact CD1-CG2 3.9Å; L312-V337 HydrophobicContact CD2-CG2 4.2Å; L312-Y349 HydrophobicContact CB-CD1 4Å; L312-Y349 HydrophobicContact CB-CD2 3.88Å; L312-Y349 HydrophobicContact CB-CE1 4.17Å; L312-Y349 HydrophobicContact CB-CE2 4.05Å; L312-Y349 HydrophobicContact CB-CG 3.85Å; L312-Y349 HydrophobicContact CD1-CD1 3.96Å; L312-Y349 HydrophobicContact CD1-CE1 3.93Å; L312-Y349 WeakPolarHBondContact O-CD2 3.12Å; L312-Y349 WeakPolarHBondContact O-CE2 3.25Å |
| 313 | L | 94.9 | Very high | 96.6 | Very high | 103 Ų | 103 | 67.5 Ų | 67.5 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.3 | -32.8 | 171.5 | -70.4 | 168.7 | 0 | 0 | 0 | 111.6 | F309 A310 D311 Y349 | F309-L313 PolarHBondContact O-N 2.98Å; F309-L313 VanDerWaalsContact O-N 3.16Å; A310-L313 WeakPolarHBondContact O-CB 3.21Å; A310-L313 PolarHBondContact O-N 3.03Å; D311-L313 VanDerWaalsContact C-N 3.29Å; D311-L313 PolarHBondContact O-N 3.04Å; L313-Y349 HydrophobicContact CD2-CD2 4.47Å |
| 314 | E | 94.6 | Very high | 96.7 | Very high | 174 Ų | 174 | 63.1 Ų | 63.1 | 81% | 0.813 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -83.6 | -46.9 | 177.7 | -61.5 | -168.6 | 174.1 | 0 | 0 | 112.6 | D311 L312 | D311-E314 PolarHBondContact O-N 3.48Å; D311-E314 VanDerWaalsContact O-N 3.16Å; L312-E314 VanDerWaalsContact C-N 3.28Å |
| 315 | D | 94.8 | Very high | 96.7 | Very high | 82 Ų | 82 | 60.8 Ų | 60.8 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | trans | -152.1 | 106.2 | -178.7 | 176 | 35.4 | 0 | 0 | 0 | 112.4 | D311 G317 T320 | D311-D315 PolarHBondContact O-N 3.47Å; D315-G317 VanDerWaalsContact C-N 3.27Å; D315-G317 PolarHBondContact O-N 2.92Å; D315-G317 WeakPolarHBondContact OD1-CA 3.15Å; D315-G317 PolarHBondContact OD1-N 2.85Å; D315-T320 VanDerWaalsContact O-CB 3.29Å; D315-T320 WeakPolarHBondContact O-CB 3.3Å; D315-T320 WeakPolarHBondContact O-CG2 3.3Å; D315-T320 PolarHBondContact OD2-OG1 2.95Å | ||
| 316 | D | 95.8 | Very high | 96.6 | Very high | 37 Ų | 37 | 65 Ų | 65 | 20% | 0.198 | 34% | 0.344 | C | S | . | . | trans | -92 | 24.4 | 174.3 | 73.7 | -5 | 0 | 0 | 0 | 113.5 | L312 K341 Y349 | L312-D316 HydrophobicContact CD2-CB 4.11Å; D316-K341 PolarHBondContact O-NZ 3.23Å; D316-K341 IonicContact OD1-NZ 2.75Å; D316-K341 PolarHBondContact OD1-NZ 3.36Å; D316-K341 VanDerWaalsContact OD2-CD 3.23Å; D316-K341 WeakPolarHBondContact OD2-CD 3.22Å; D316-K341 VanDerWaalsContact OD2-CE 3.24Å; D316-K341 WeakPolarHBondContact OD2-CE 3.41Å; D316-K341 IonicContact OD2-NZ 2.78Å; D316-K341 PolarHBondContact OD2-NZ 2.76Å; D316-Y349 HydrophobicContact CB-CE2 3.8Å; D316-Y349 WeakPolarHBondContact CB-OH 3.07Å; D316-Y349 PolarHBondContact OD2-OH 3.15Å | ||
| 317 | G | 95.9 | Very high | 96.5 | Very high | 21 Ų | 21 | 63 Ų | 63 | 22% | 0.216 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -70.3 | 157.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D315 Q319 T320 V321 | D315-G317 VanDerWaalsContact C-N 3.27Å; D315-G317 PolarHBondContact O-N 2.92Å; D315-G317 WeakPolarHBondContact OD1-CA 3.15Å; D315-G317 PolarHBondContact OD1-N 2.85Å; G317-Q319 PolarHBondContact O-N 3.46Å; G317-T320 PolarHBondContact O-N 3.02Å; G317-V321 WeakPolarHBondContact O-CG2 3.43Å; G317-V321 PolarHBondContact O-N 3.09Å; G317-V321 VanDerWaalsContact O-N 3.08Å |
| 318 | E | 95 | Very high | 96.3 | Very high | 168 Ų | 168 | 67.3 Ų | 67.3 | 79% | 0.785 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -53 | -35.5 | -174 | -174 | 177.7 | -169.4 | 0 | 0 | 113.7 | T322 | E318-T322 WeakPolarHBondContact O-CB 3.46Å; E318-T322 PolarHBondContact O-N 2.95Å; E318-T322 PolarHBondContact O-OG1 3.2Å |
| 319 | Q | 96 | Very high | 96.1 | Very high | 174 Ų | 174 | 70.2 Ų | 70.2 | 81% | 0.813 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.8 | -46.6 | 178.6 | -65.8 | -175.7 | 9.2 | 0 | 0 | 112 | G317 T322 R323 | G317-Q319 PolarHBondContact O-N 3.46Å; Q319-T322 PolarHBondContact O-N 3.27Å; Q319-R323 WeakPolarHBondContact O-CB 3.39Å; Q319-R323 PolarHBondContact O-N 2.91Å |
| 320 | T | 96.8 | Very high | 96 | Very high | 18 Ų | 18 | 70.4 Ų | 70.4 | 11% | 0.11 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.2 | -47.5 | -179.9 | -60 | 0 | 0 | 0 | 0 | 110.7 | D311 D315 G317 T322 R323 W324 | D311-T320 HydrophobicContact CB-CG2 4.16Å; D315-T320 VanDerWaalsContact O-CB 3.29Å; D315-T320 WeakPolarHBondContact O-CB 3.3Å; D315-T320 WeakPolarHBondContact O-CG2 3.3Å; D315-T320 PolarHBondContact OD2-OG1 2.95Å; G317-T320 PolarHBondContact O-N 3.02Å; T320-T322 PolarHBondContact O-N 2.91Å; T320-R323 WeakPolarHBondContact O-CB 3.25Å; T320-R323 PolarHBondContact O-N 2.87Å; T320-W324 PolarHBondContact O-N 3.49Å; T320-W324 VanDerWaalsContact O-N 3.13Å |
| 321 | V | 97.1 | Very high | 95.9 | Very high | 5 Ų | 5 | 72.5 Ų | 72.5 | 3% | 0.03 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | 178.4 | -164.7 | 0 | 0 | 0 | 0 | 111.3 | L312 G317 R323 W324 A325 L333 N334 V337 | L312-V321 HydrophobicContact CD2-CG2 3.84Å; G317-V321 WeakPolarHBondContact O-CG2 3.43Å; G317-V321 PolarHBondContact O-N 3.09Å; G317-V321 VanDerWaalsContact O-N 3.08Å; V321-R323 VanDerWaalsContact C-N 3.34Å; V321-R323 PolarHBondContact O-N 3.32Å; V321-W324 PolarHBondContact O-N 3.24Å; V321-A325 VanDerWaalsContact O-CB 3.23Å; V321-A325 WeakPolarHBondContact O-CB 3.08Å; V321-A325 PolarHBondContact O-N 2.53Å; V321-L333 HydrophobicContact CG1-CG 4.28Å; V321-N334 HydrophobicContact CG1-CB 4.41Å; V321-N334 WeakPolarHBondContact CG1-OD1 3.47Å; V321-V337 HydrophobicContact CG1-CB 4.11Å; V321-V337 HydrophobicContact CG1-CG1 4.49Å; V321-V337 HydrophobicContact CG1-CG2 3.97Å; V321-V337 HydrophobicContact CG2-CB 4.4Å; V321-V337 HydrophobicContact CG2-CG1 3.94Å; V321-V337 HydrophobicContact CG2-CG2 4.34Å |
| 322 | T | 97 | Very high | 95.9 | Very high | 63 Ų | 63 | 71 Ų | 71 | 39% | 0.387 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 178.3 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | E318 Q319 T320 S326 | E318-T322 WeakPolarHBondContact O-CB 3.46Å; E318-T322 PolarHBondContact O-N 2.95Å; E318-T322 PolarHBondContact O-OG1 3.2Å; Q319-T322 PolarHBondContact O-N 3.27Å; T320-T322 PolarHBondContact O-N 2.91Å; T322-S326 PolarHBondContact O-N 2.96Å; T322-S326 VanDerWaalsContact O-N 3.1Å; T322-S326 PolarHBondContact O-OG 2.97Å |
| 323 | R | 97.3 | Very high | 95.9 | Very high | 144 Ų | 144 | 71 Ų | 71 | 54% | 0.543 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 176.6 | -177.7 | -174.7 | 68.1 | 172.8 | 2.4 | 110.8 | D311 Q319 T320 V321 S326 | D311-R323 IonicContact OD2-CZ 3.84Å; D311-R323 IonicContact OD2-NH2 2.61Å; D311-R323 PolarHBondContact OD2-NH2 3.14Å; Q319-R323 WeakPolarHBondContact O-CB 3.39Å; Q319-R323 PolarHBondContact O-N 2.91Å; T320-R323 WeakPolarHBondContact O-CB 3.25Å; T320-R323 PolarHBondContact O-N 2.87Å; V321-R323 VanDerWaalsContact C-N 3.34Å; V321-R323 PolarHBondContact O-N 3.32Å; R323-S326 WeakPolarHBondContact O-CB 3.39Å; R323-S326 PolarHBondContact O-N 3.07Å |
| 324 | W | 97.8 | Very high | 96 | Very high | 16 Ų | 16 | 68.9 Ų | 68.9 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 178.3 | -78.4 | 117.1 | 0 | 0 | 0 | 112.5 | D304 A307 A308 D311 T320 V321 S326 K327 M330 L333 | D304-W324 VanDerWaalsContact O-CZ3 3.28Å; D304-W324 WeakPolarHBondContact O-CZ3 3.47Å; A307-W324 HydrophobicContact CB-CH2 3.62Å; A307-W324 HydrophobicContact CB-CZ2 4.02Å; A308-W324 HydrophobicContact CB-CB 4.46Å; A308-W324 HydrophobicContact CB-CD2 3.58Å; A308-W324 HydrophobicContact CB-CE3 3.66Å; A308-W324 HydrophobicContact CB-CG 3.93Å; A308-W324 HydrophobicContact CB-CH2 4.35Å; A308-W324 HydrophobicContact CB-CZ2 4.32Å; A308-W324 HydrophobicContact CB-CZ3 3.99Å; D311-W324 WeakPolarHBondContact OD2-CZ2 3.41Å; D311-W324 PolarHBondContact OD2-NE1 2.98Å; T320-W324 PolarHBondContact O-N 3.49Å; T320-W324 VanDerWaalsContact O-N 3.13Å; V321-W324 PolarHBondContact O-N 3.24Å; W324-S326 PolarHBondContact O-N 3.23Å; W324-S326 VanDerWaalsContact O-N 3.07Å; W324-K327 HydrophobicContact CE3-CD 3.64Å; W324-K327 HydrophobicContact CE3-CG 4.28Å; W324-K327 HydrophobicContact CZ3-CD 3.6Å; W324-K327 WeakPolarHBondContact O-CB 3.29Å; W324-K327 PolarHBondContact O-N 3.01Å; W324-M330 HydrophobicContact CE3-CE 4.33Å; W324-M330 HydrophobicContact CE3-SD 3.71Å; W324-M330 HydrophobicContact CZ3-CE 4.41Å; W324-M330 HydrophobicContact CZ3-SD 4.31Å; W324-M330 VanDerWaalsContact O-CB 3.32Å; W324-M330 WeakPolarHBondContact O-CB 3.36Å; W324-L333 HydrophobicContact CB-CD2 3.47Å; W324-L333 VanDerWaalsContact CB-CD2 3.47Å; W324-L333 HydrophobicContact CG-CD2 4.42Å |
| 325 | A | 97.1 | Very high | 96.1 | Very high | 11 Ų | 11 | 65.9 Ų | 65.9 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.6 | -16.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V321 K327 M330 S331 L333 N334 | V321-A325 VanDerWaalsContact O-CB 3.23Å; V321-A325 WeakPolarHBondContact O-CB 3.08Å; V321-A325 PolarHBondContact O-N 2.53Å; A325-K327 VanDerWaalsContact C-N 3.34Å; A325-M330 WeakPolarHBondContact CA-O 3.3Å; A325-S331 WeakPolarHBondContact O-CA 3.39Å; A325-L333 HydrophobicContact CB-CB 4.41Å; A325-N334 HydrophobicContact CB-CB 4.46Å; A325-N334 VanDerWaalsContact CB-ND2 3.26Å; A325-N334 WeakPolarHBondContact CB-ND2 3.38Å |
| 326 | S | 96.2 | Very high | 96.2 | Very high | 93 Ų | 93 | 62.1 Ų | 62.1 | 65% | 0.65 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -14.2 | 173.4 | -58.5 | 0 | 0 | 0 | 0 | 113.1 | T322 R323 W324 | T322-S326 PolarHBondContact O-N 2.96Å; T322-S326 VanDerWaalsContact O-N 3.1Å; T322-S326 PolarHBondContact O-OG 2.97Å; R323-S326 WeakPolarHBondContact O-CB 3.39Å; R323-S326 PolarHBondContact O-N 3.07Å; W324-S326 PolarHBondContact O-N 3.23Å; W324-S326 VanDerWaalsContact O-N 3.07Å |
| 327 | K | 95.5 | Very high | 96.3 | Very high | 70 Ų | 70 | 60.5 Ų | 60.5 | 30% | 0.304 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -69.7 | 143.3 | 173.6 | -69.5 | -159.5 | 177.6 | -174.7 | 0 | 110.5 | D304 W324 A325 G329 M330 | D304-K327 IonicContact OD1-NZ 3.83Å; D304-K327 PolarHBondContact OD1-NZ 3.36Å; D304-K327 IonicContact OD2-NZ 3.03Å; W324-K327 HydrophobicContact CE3-CD 3.64Å; W324-K327 HydrophobicContact CE3-CG 4.28Å; W324-K327 HydrophobicContact CZ3-CD 3.6Å; W324-K327 WeakPolarHBondContact O-CB 3.29Å; W324-K327 PolarHBondContact O-N 3.01Å; A325-K327 VanDerWaalsContact C-N 3.34Å; K327-G329 PolarHBondContact O-N 3.01Å; K327-M330 HydrophobicContact CB-CB 4.38Å; K327-M330 HydrophobicContact CB-CG 4.38Å; K327-M330 HydrophobicContact CB-SD 4.03Å; K327-M330 HydrophobicContact CD-SD 4.3Å; K327-M330 PolarHBondContact O-N 2.74Å; K327-M330 VanDerWaalsContact O-N 3.14Å |
| 328 | P | 93.4 | Very high | 96.3 | Very high | 130 Ų | 130 | 63.3 Ų | 63.3 | 84% | 0.844 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 134 | 172.5 | -25.2 | 34.7 | 0 | 0 | 0 | 111.5 | M330 | P328-M330 VanDerWaalsContact C-N 3.31Å; P328-M330 PolarHBondContact O-N 2.61Å |
| 329 | G | 92.2 | Very high | 96.5 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 62% | 0.619 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | -14.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | K327 | K327-G329 PolarHBondContact O-N 3.01Š|
| 330 | M | 96.2 | Very high | 96.5 | Very high | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.044 | 29% | 0.294 | C | S | . | . | trans | -105.3 | 9.6 | -174 | -67.8 | -172.9 | 169.7 | 0 | 0 | 115.3 | D304 L305 A308 W324 A325 K327 P328 S332 L333 | D304-M330 VanDerWaalsContact C-CE 3.45Å; D304-M330 HydrophobicContact CB-CE 3.63Å; D304-M330 WeakPolarHBondContact O-CE 3.44Å; L305-M330 HydrophobicContact CB-CE 4.47Å; L305-M330 HydrophobicContact CD2-CE 3.84Å; L305-M330 HydrophobicContact CG-CE 3.88Å; A308-M330 HydrophobicContact CB-CE 4.33Å; A308-M330 HydrophobicContact CB-SD 4.47Å; W324-M330 HydrophobicContact CE3-CE 4.33Å; W324-M330 HydrophobicContact CE3-SD 3.71Å; W324-M330 HydrophobicContact CZ3-CE 4.41Å; W324-M330 HydrophobicContact CZ3-SD 4.31Å; W324-M330 VanDerWaalsContact O-CB 3.32Å; W324-M330 WeakPolarHBondContact O-CB 3.36Å; A325-M330 WeakPolarHBondContact CA-O 3.3Å; K327-M330 HydrophobicContact CB-CB 4.38Å; K327-M330 HydrophobicContact CB-CG 4.38Å; K327-M330 HydrophobicContact CB-SD 4.03Å; K327-M330 HydrophobicContact CD-SD 4.3Å; K327-M330 PolarHBondContact O-N 2.74Å; K327-M330 VanDerWaalsContact O-N 3.14Å; P328-M330 VanDerWaalsContact C-N 3.31Å; P328-M330 PolarHBondContact O-N 2.61Å; M330-S332 PolarHBondContact O-N 3.33Å; M330-L333 WeakPolarHBondContact O-CB 3.25Å; M330-L333 PolarHBondContact O-N 2.94Å | ||
| 331 | S | 96 | Very high | 96.5 | Very high | 94 Ų | 94 | 51.7 Ų | 51.7 | 66% | 0.657 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -26.5 | -172.7 | 61.7 | 0 | 0 | 0 | 0 | 114.4 | A325 | A325-S331 WeakPolarHBondContact O-CA 3.39Š|
| 332 | S | 96.8 | Very high | 96.5 | Very high | 16 Ų | 16 | 55.6 Ų | 55.6 | 11% | 0.112 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -2.4 | 177.3 | 51.3 | 0 | 0 | 0 | 0 | 114.8 | L276 M330 N334 Q335 L336 | L276-S332 WeakPolarHBondContact CD2-OG 3.35Å; M330-S332 PolarHBondContact O-N 3.33Å; S332-N334 VanDerWaalsContact C-N 3.33Å; S332-N334 PolarHBondContact O-N 3.39Å; S332-Q335 WeakPolarHBondContact O-CB 3.32Å; S332-Q335 PolarHBondContact O-N 3.35Å; S332-Q335 VanDerWaalsContact O-N 3.11Å; S332-L336 PolarHBondContact O-N 3.33Å; S332-L336 VanDerWaalsContact O-N 3.09Å |
| 333 | L | 97.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 179.8 | -174.3 | 66.3 | 0 | 0 | 0 | 112.1 | L276 F309 L312 V321 W324 A325 M330 Q335 L336 V337 | L276-L333 HydrophobicContact CD1-CD1 4.26Å; L276-L333 HydrophobicContact CD2-CB 4.49Å; F309-L333 HydrophobicContact CZ-CD1 4.3Å; L312-L333 HydrophobicContact CD1-CD1 4.23Å; V321-L333 HydrophobicContact CG1-CG 4.28Å; W324-L333 HydrophobicContact CB-CD2 3.47Å; W324-L333 VanDerWaalsContact CB-CD2 3.47Å; W324-L333 HydrophobicContact CG-CD2 4.42Å; A325-L333 HydrophobicContact CB-CB 4.41Å; M330-L333 WeakPolarHBondContact O-CB 3.25Å; M330-L333 PolarHBondContact O-N 2.94Å; L333-Q335 VanDerWaalsContact C-N 3.27Å; L333-Q335 PolarHBondContact O-N 2.87Å; L333-L336 PolarHBondContact O-N 3.07Å; L333-L336 VanDerWaalsContact O-N 3.15Å; L333-V337 HydrophobicContact CD1-CG2 4.33Å; L333-V337 HydrophobicContact CG-CG2 4.36Å; L333-V337 WeakPolarHBondContact O-CG2 3.5Å; L333-V337 PolarHBondContact O-N 2.89Å |
| 334 | N | 96.6 | Very high | 96.3 | Very high | 59 Ų | 59 | 55.2 Ų | 55.2 | 32% | 0.316 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.6 | -43.4 | 174.1 | -83.3 | -36.9 | 0 | 0 | 0 | 112.3 | V321 A325 S332 S338 | V321-N334 HydrophobicContact CG1-CB 4.41Å; V321-N334 WeakPolarHBondContact CG1-OD1 3.47Å; A325-N334 HydrophobicContact CB-CB 4.46Å; A325-N334 VanDerWaalsContact CB-ND2 3.26Å; A325-N334 WeakPolarHBondContact CB-ND2 3.38Å; S332-N334 VanDerWaalsContact C-N 3.33Å; S332-N334 PolarHBondContact O-N 3.39Å; N334-S338 VanDerWaalsContact O-CB 3.31Å; N334-S338 WeakPolarHBondContact O-CB 3.37Å; N334-S338 PolarHBondContact O-N 3.33Å; N334-S338 VanDerWaalsContact O-N 3.09Å; N334-S338 PolarHBondContact O-OG 3.32Å |
| 335 | Q | 97 | Very high | 96 | Very high | 112 Ų | 112 | 59.6 Ų | 59.6 | 52% | 0.523 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 179 | -179.3 | -173.7 | -14.5 | 0 | 0 | 110.8 | V272 S332 L333 S339 | V272-Q335 HydrophobicContact CG2-CG 4.32Å; S332-Q335 WeakPolarHBondContact O-CB 3.32Å; S332-Q335 PolarHBondContact O-N 3.35Å; S332-Q335 VanDerWaalsContact O-N 3.11Å; L333-Q335 VanDerWaalsContact C-N 3.27Å; L333-Q335 PolarHBondContact O-N 2.87Å; Q335-S339 WeakPolarHBondContact O-CB 3.38Å; Q335-S339 PolarHBondContact O-N 3.44Å |
| 336 | L | 97.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.9 | -54.6 | 179 | -178.1 | 59.8 | 0 | 0 | 0 | 111.2 | E269 V272 L273 L276 F309 S332 L333 S338 S339 L340 V352 | E269-L336 HydrophobicContact CB-CD1 4.09Å; E269-L336 HydrophobicContact CG-CD1 4.27Å; V272-L336 HydrophobicContact CB-CB 4.48Å; V272-L336 HydrophobicContact CB-CD1 4.44Å; V272-L336 HydrophobicContact CG1-CB 3.73Å; V272-L336 HydrophobicContact CG1-CD1 4.46Å; V272-L336 HydrophobicContact CG1-CG 4.45Å; L273-L336 HydrophobicContact CD2-CD2 3.67Å; L273-L336 HydrophobicContact CG-CD1 4.47Å; L273-L336 HydrophobicContact CG-CD2 4.37Å; L276-L336 HydrophobicContact CD1-CD2 3.7Å; F309-L336 HydrophobicContact CZ-CD2 4.07Å; S332-L336 PolarHBondContact O-N 3.33Å; S332-L336 VanDerWaalsContact O-N 3.09Å; L333-L336 PolarHBondContact O-N 3.07Å; L333-L336 VanDerWaalsContact O-N 3.15Å; L336-S338 VanDerWaalsContact C-N 3.29Å; L336-S338 PolarHBondContact O-N 3.11Å; L336-S339 WeakPolarHBondContact O-CB 3.35Å; L336-S339 PolarHBondContact O-N 2.98Å; L336-S339 VanDerWaalsContact O-N 3.11Å; L336-L340 HydrophobicContact CD1-CD1 3.97Å; L336-L340 HydrophobicContact CD1-CG 4.14Å; L336-L340 HydrophobicContact CG-CD1 3.79Å; L336-L340 HydrophobicContact CG-CG 4.38Å; L336-L340 WeakPolarHBondContact O-CG 3.31Å; L336-L340 PolarHBondContact O-N 3.02Å; L336-V352 HydrophobicContact CD2-CG1 4.08Å |
| 337 | V | 97.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.024 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.6 | -42.5 | -178.9 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L312 V321 L333 S339 L340 K341 Y349 | L312-V337 HydrophobicContact CD1-CG2 3.9Å; L312-V337 HydrophobicContact CD2-CG2 4.2Å; V321-V337 HydrophobicContact CG1-CB 4.11Å; V321-V337 HydrophobicContact CG1-CG1 4.49Å; V321-V337 HydrophobicContact CG1-CG2 3.97Å; V321-V337 HydrophobicContact CG2-CB 4.4Å; V321-V337 HydrophobicContact CG2-CG1 3.94Å; V321-V337 HydrophobicContact CG2-CG2 4.34Å; L333-V337 HydrophobicContact CD1-CG2 4.33Å; L333-V337 HydrophobicContact CG-CG2 4.36Å; L333-V337 WeakPolarHBondContact O-CG2 3.5Å; L333-V337 PolarHBondContact O-N 2.89Å; V337-S339 PolarHBondContact O-N 2.86Å; V337-L340 PolarHBondContact O-N 3.46Å; V337-K341 HydrophobicContact CG1-CD 3.72Å; V337-K341 HydrophobicContact CG1-CG 4.29Å; V337-K341 WeakPolarHBondContact O-CB 3.35Å; V337-K341 VanDerWaalsContact O-CG 3.31Å; V337-K341 WeakPolarHBondContact O-CG 3.46Å; V337-K341 PolarHBondContact O-N 2.92Å; V337-Y349 WeakPolarHBondContact CG1-OH 3.48Å; V337-Y349 HydrophobicContact CG2-CE1 4.22Å |
| 338 | S | 96.7 | Very high | 95.9 | Very high | 79 Ų | 79 | 60.2 Ų | 60.2 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.5 | -42.2 | 177.2 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | N334 L336 A342 | N334-S338 VanDerWaalsContact O-CB 3.31Å; N334-S338 WeakPolarHBondContact O-CB 3.37Å; N334-S338 PolarHBondContact O-N 3.33Å; N334-S338 VanDerWaalsContact O-N 3.09Å; N334-S338 PolarHBondContact O-OG 3.32Å; L336-S338 VanDerWaalsContact C-N 3.29Å; L336-S338 PolarHBondContact O-N 3.11Å; S338-A342 WeakPolarHBondContact O-CB 3.42Å; S338-A342 PolarHBondContact O-N 2.98Å |
| 339 | S | 97.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 54.3 Ų | 54.3 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 176.9 | -174 | 0 | 0 | 0 | 0 | 111.6 | E269 Q335 L336 V337 K341 A342 R343 | E269-S339 VanDerWaalsContact CG-OG 3.29Å; E269-S339 WeakPolarHBondContact CG-OG 3.47Å; E269-S339 PolarHBondContact OE1-OG 2.9Å; Q335-S339 WeakPolarHBondContact O-CB 3.38Å; Q335-S339 PolarHBondContact O-N 3.44Å; L336-S339 WeakPolarHBondContact O-CB 3.35Å; L336-S339 PolarHBondContact O-N 2.98Å; L336-S339 VanDerWaalsContact O-N 3.11Å; V337-S339 PolarHBondContact O-N 2.86Å; S339-K341 PolarHBondContact O-N 2.84Å; S339-A342 WeakPolarHBondContact O-CB 3.09Å; S339-A342 PolarHBondContact O-N 2.91Å; S339-R343 PolarHBondContact O-N 2.89Å |
| 340 | L | 97.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.1 | -48.8 | -179.9 | -68.6 | 169.2 | 0 | 0 | 0 | 111.2 | Y265 L336 V337 A342 R343 N344 P347 Y349 V352 | Y265-L340 HydrophobicContact CD1-CD2 3.91Å; Y265-L340 HydrophobicContact CE1-CD2 3.8Å; L336-L340 HydrophobicContact CD1-CD1 3.97Å; L336-L340 HydrophobicContact CD1-CG 4.14Å; L336-L340 HydrophobicContact CG-CD1 3.79Å; L336-L340 HydrophobicContact CG-CG 4.38Å; L336-L340 WeakPolarHBondContact O-CG 3.31Å; L336-L340 PolarHBondContact O-N 3.02Å; V337-L340 PolarHBondContact O-N 3.46Å; L340-A342 PolarHBondContact O-N 3.16Å; L340-R343 PolarHBondContact O-N 3.19Å; L340-N344 PolarHBondContact O-N 3.22Å; L340-P347 HydrophobicContact CB-CB 4.01Å; L340-P347 HydrophobicContact CB-CG 3.73Å; L340-P347 HydrophobicContact CD1-CB 4.49Å; L340-Y349 HydrophobicContact CD1-CE1 4.27Å; L340-V352 HydrophobicContact CD1-CG1 4.04Å; L340-V352 HydrophobicContact CD1-CG2 3.73Å; L340-V352 HydrophobicContact CD2-CG2 4.15Å |
| 341 | K | 96.9 | Very high | 96.3 | Very high | 74 Ų | 74 | 60.4 Ų | 60.4 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.6 | -28.3 | -179.8 | -71.2 | 179.2 | 75.3 | 144.2 | 0 | 113.6 | D316 V337 S339 R343 N344 P347 | D316-K341 PolarHBondContact O-NZ 3.23Å; D316-K341 IonicContact OD1-NZ 2.75Å; D316-K341 PolarHBondContact OD1-NZ 3.36Å; D316-K341 VanDerWaalsContact OD2-CD 3.23Å; D316-K341 WeakPolarHBondContact OD2-CD 3.22Å; D316-K341 VanDerWaalsContact OD2-CE 3.24Å; D316-K341 WeakPolarHBondContact OD2-CE 3.41Å; D316-K341 IonicContact OD2-NZ 2.78Å; D316-K341 PolarHBondContact OD2-NZ 2.76Å; V337-K341 HydrophobicContact CG1-CD 3.72Å; V337-K341 HydrophobicContact CG1-CG 4.29Å; V337-K341 WeakPolarHBondContact O-CB 3.35Å; V337-K341 VanDerWaalsContact O-CG 3.31Å; V337-K341 WeakPolarHBondContact O-CG 3.46Å; V337-K341 PolarHBondContact O-N 2.92Å; S339-K341 PolarHBondContact O-N 2.84Å; K341-R343 VanDerWaalsContact C-N 3.27Å; K341-R343 PolarHBondContact O-N 3.05Å; K341-N344 VanDerWaalsContact CA-O 3.31Å; K341-N344 WeakPolarHBondContact CA-O 3.36Å; K341-N344 CarbonylContact O-C 3.56Å; K341-P347 HydrophobicContact CG-CG 3.92Å |
| 342 | A | 96.6 | Very high | 96.3 | Very high | 88 Ų | 88 | 56 Ų | 56 | 73% | 0.727 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68 | -28.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S338 S339 L340 | S338-A342 WeakPolarHBondContact O-CB 3.42Å; S338-A342 PolarHBondContact O-N 2.98Å; S339-A342 WeakPolarHBondContact O-CB 3.09Å; S339-A342 PolarHBondContact O-N 2.91Å; L340-A342 PolarHBondContact O-N 3.16Å |
| 343 | R | 95.6 | Very high | 96.3 | Very high | 125 Ų | 125 | 56.4 Ų | 56.4 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -92.8 | -40.1 | 177.3 | -58.9 | -170.4 | -58.9 | 114.8 | -0.7 | 112.5 | I264 E269 S339 L340 K341 | I264-R343 PolarHBondContact O-NH1 3.2Å; E269-R343 VanDerWaalsContact CD-NH2 3.32Å; E269-R343 IonicContact OE1-CZ 3.47Å; E269-R343 IonicContact OE1-NE 2.84Å; E269-R343 PolarHBondContact OE1-NE 2.93Å; E269-R343 IonicContact OE1-NH2 3.26Å; E269-R343 PolarHBondContact OE1-NH2 2.78Å; E269-R343 IonicContact OE2-CZ 3.26Å; E269-R343 VanDerWaalsContact OE2-CZ 3.26Å; E269-R343 IonicContact OE2-NE 3.35Å; E269-R343 PolarHBondContact OE2-NE 2.93Å; E269-R343 IonicContact OE2-NH2 2.65Å; E269-R343 PolarHBondContact OE2-NH2 2.89Å; S339-R343 PolarHBondContact O-N 2.89Å; L340-R343 PolarHBondContact O-N 3.19Å; K341-R343 VanDerWaalsContact C-N 3.27Å; K341-R343 PolarHBondContact O-N 3.05Å |
| 344 | N | 93.8 | Very high | 96.2 | Very high | 73 Ų | 73 | 60.5 Ų | 60.5 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | trans | -138.7 | 113.8 | -179.6 | 179 | 3.6 | 0 | 0 | 0 | 109.7 | L340 K341 S346 P347 | L340-N344 PolarHBondContact O-N 3.22Å; K341-N344 VanDerWaalsContact CA-O 3.31Å; K341-N344 WeakPolarHBondContact CA-O 3.36Å; K341-N344 CarbonylContact O-C 3.56Å; N344-S346 PolarHBondContact ND2-O 3.35Å; N344-S346 PolarHBondContact O-N 3.1Å; N344-S346 PolarHBondContact OD1-N 3.22Å; N344-S346 VanDerWaalsContact OD1-N 3.14Å; N344-S346 PolarHBondContact OD1-O 2.97Å; N344-P347 VanDerWaalsContact O-CD 3.3Å; N344-P347 WeakPolarHBondContact O-CD 3.27Å; N344-P347 WeakPolarHBondContact O-CG 3.35Å | ||
| 345 | P | 93 | Very high | 96.1 | Very high | 108 Ų | 108 | 57.7 Ų | 57.7 | 70% | 0.701 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -57.7 | -21.3 | -179 | -26.2 | 35 | 0 | 0 | 0 | 115.5 | ||
| 346 | S | 93.8 | Very high | 96 | Very high | 88 Ų | 88 | 52.4 Ų | 52.4 | 62% | 0.615 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -128.1 | 80.4 | 174.7 | 55.2 | 0 | 0 | 0 | 0 | 109.2 | N344 | N344-S346 PolarHBondContact ND2-O 3.35Å; N344-S346 PolarHBondContact O-N 3.1Å; N344-S346 PolarHBondContact OD1-N 3.22Å; N344-S346 VanDerWaalsContact OD1-N 3.14Å; N344-S346 PolarHBondContact OD1-O 2.97Å |
| 347 | P | 96.1 | Very high | 95.8 | Very high | 14 Ų | 14 | 54.4 Ų | 54.4 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | trans | -59.7 | 147.1 | 178.5 | -21.9 | 34.5 | 0 | 0 | 0 | 111.8 | L340 K341 N344 Y349 | L340-P347 HydrophobicContact CB-CB 4.01Å; L340-P347 HydrophobicContact CB-CG 3.73Å; L340-P347 HydrophobicContact CD1-CB 4.49Å; K341-P347 HydrophobicContact CG-CG 3.92Å; N344-P347 VanDerWaalsContact O-CD 3.3Å; N344-P347 WeakPolarHBondContact O-CD 3.27Å; N344-P347 WeakPolarHBondContact O-CG 3.35Å; P347-Y349 HydrophobicContact CB-CD1 4.45Å; P347-Y349 HydrophobicContact CB-CE1 4.08Å; P347-Y349 HydrophobicContact CB-CE2 4.17Å; P347-Y349 HydrophobicContact CG-CE1 4.35Å; P347-Y349 HydrophobicContact CG-CE2 4.27Å; P347-Y349 PolarHBondContact O-N 3.39Å; P347-Y349 VanDerWaalsContact O-N 3.1Å | ||
| 348 | D | 96.4 | Very high | 95.5 | Very high | 85 Ų | 85 | 55.7 Ų | 55.7 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | trans | -80 | 87.7 | 170.2 | -173.2 | -21.2 | 0 | 0 | 0 | 108.9 | E350 M351 V352 | D348-E350 PolarHBondContact O-N 2.75Å; D348-E350 PolarHBondContact OD1-N 2.98Å; D348-M351 HydrophobicContact CB-CB 3.95Å; D348-M351 VanDerWaalsContact CG-CB 3.46Å; D348-M351 PolarHBondContact O-N 3.28Å; D348-M351 PolarHBondContact OD1-N 2.88Å; D348-V352 VanDerWaalsContact O-CG2 3.23Å; D348-V352 WeakPolarHBondContact O-CG2 3.4Å; D348-V352 PolarHBondContact O-N 2.94Å | ||
| 349 | Y | 97.3 | Very high | 95 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.3 | -23.9 | -176.2 | -72.8 | -64.2 | 0 | 0 | 0 | 113.5 | F309 L312 L313 D316 V337 L340 P347 V352 H353 | F309-Y349 AromaticContact CD1-CD1 3.98Å; F309-Y349 HydrophobicContact CD1-CD1 3.98Å; F309-Y349 HydrophobicContact CD1-CG 4.49Å; F309-Y349 WeakPolarHBondContact CD1-O 3.25Å; F309-Y349 HydrophobicContact CE1-CD1 4.11Å; L312-Y349 HydrophobicContact CB-CD1 4Å; L312-Y349 HydrophobicContact CB-CD2 3.88Å; L312-Y349 HydrophobicContact CB-CE1 4.17Å; L312-Y349 HydrophobicContact CB-CE2 4.05Å; L312-Y349 HydrophobicContact CB-CG 3.85Å; L312-Y349 HydrophobicContact CD1-CD1 3.96Å; L312-Y349 HydrophobicContact CD1-CE1 3.93Å; L312-Y349 WeakPolarHBondContact O-CD2 3.12Å; L312-Y349 WeakPolarHBondContact O-CE2 3.25Å; L313-Y349 HydrophobicContact CD2-CD2 4.47Å; D316-Y349 HydrophobicContact CB-CE2 3.8Å; D316-Y349 WeakPolarHBondContact CB-OH 3.07Å; D316-Y349 PolarHBondContact OD2-OH 3.15Å; V337-Y349 WeakPolarHBondContact CG1-OH 3.48Å; V337-Y349 HydrophobicContact CG2-CE1 4.22Å; L340-Y349 HydrophobicContact CD1-CE1 4.27Å; P347-Y349 HydrophobicContact CB-CD1 4.45Å; P347-Y349 HydrophobicContact CB-CE1 4.08Å; P347-Y349 HydrophobicContact CB-CE2 4.17Å; P347-Y349 HydrophobicContact CG-CE1 4.35Å; P347-Y349 HydrophobicContact CG-CE2 4.27Å; P347-Y349 PolarHBondContact O-N 3.39Å; P347-Y349 VanDerWaalsContact O-N 3.1Å; Y349-V352 PolarHBondContact O-N 3.06Å; Y349-H353 WeakPolarHBondContact O-CB 3.44Å; Y349-H353 PolarHBondContact O-N 2.9Å |
| 350 | E | 96.3 | Very high | 94.1 | Very high | 127 Ų | 127 | 51.2 Ų | 51.2 | 59% | 0.593 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.1 | -49.6 | 172.7 | -174 | 168.9 | -161.9 | 0 | 0 | 109.5 | D348 V352 H353 Q354 | D348-E350 PolarHBondContact O-N 2.75Å; D348-E350 PolarHBondContact OD1-N 2.98Å; E350-V352 VanDerWaalsContact C-N 3.27Å; E350-V352 PolarHBondContact O-N 3.1Å; E350-H353 WeakPolarHBondContact O-CB 3.14Å; E350-H353 PolarHBondContact O-N 2.78Å; E350-H353 VanDerWaalsContact O-N 3.14Å; E350-Q354 WeakPolarHBondContact O-CG 3.48Å; E350-Q354 PolarHBondContact O-N 3.17Å |
| 351 | M | 95.8 | Very high | 92.9 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.9 | -33.2 | 174.4 | -170.4 | 62.8 | 66.7 | 0 | 0 | 112.9 | F261 Y265 D348 A355 | F261-M351 HydrophobicContact CE1-SD 3.81Å; Y265-M351 WeakPolarHBondContact OH-CG 3.33Å; Y265-M351 PolarHBondContact OH-O 2.95Å; D348-M351 HydrophobicContact CB-CB 3.95Å; D348-M351 VanDerWaalsContact CG-CB 3.46Å; D348-M351 PolarHBondContact O-N 3.28Å; D348-M351 PolarHBondContact OD1-N 2.88Å; M351-A355 WeakPolarHBondContact O-CB 3.45Å; M351-A355 PolarHBondContact O-N 2.76Å |
| 352 | V | 96.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 175.8 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | Y265 L273 F309 L336 L340 D348 Y349 E350 A355 G356 | Y265-V352 HydrophobicContact CE1-CG2 3.69Å; Y265-V352 VanDerWaalsContact OH-CA 3.26Å; Y265-V352 WeakPolarHBondContact OH-CA 3.23Å; Y265-V352 VanDerWaalsContact OH-CG2 3.25Å; Y265-V352 WeakPolarHBondContact OH-CG2 3.5Å; Y265-V352 PolarHBondContact OH-N 3.24Å; Y265-V352 VanDerWaalsContact OH-N 3.08Å; L273-V352 HydrophobicContact CD2-CG1 3.85Å; F309-V352 HydrophobicContact CD1-CB 4.44Å; F309-V352 HydrophobicContact CD1-CG1 4.4Å; F309-V352 HydrophobicContact CE1-CB 3.88Å; F309-V352 HydrophobicContact CE1-CG1 3.41Å; F309-V352 VanDerWaalsContact CE1-CG1 3.41Å; F309-V352 HydrophobicContact CZ-CG1 3.81Å; L336-V352 HydrophobicContact CD2-CG1 4.08Å; L340-V352 HydrophobicContact CD1-CG1 4.04Å; L340-V352 HydrophobicContact CD1-CG2 3.73Å; L340-V352 HydrophobicContact CD2-CG2 4.15Å; D348-V352 VanDerWaalsContact O-CG2 3.23Å; D348-V352 WeakPolarHBondContact O-CG2 3.4Å; D348-V352 PolarHBondContact O-N 2.94Å; Y349-V352 PolarHBondContact O-N 3.06Å; E350-V352 VanDerWaalsContact C-N 3.27Å; E350-V352 PolarHBondContact O-N 3.1Å; V352-A355 PolarHBondContact O-N 3.03Å; V352-G356 PolarHBondContact O-N 3.5Å |
| 353 | H | 96.8 | Very high | 91.3 | Very high | 24 Ų | 24 | 50.9 Ų | 50.9 | 11% | 0.111 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 175.4 | -179 | 57.9 | 0 | 0 | 0 | 110.8 | Y277 F309 Y349 E350 A355 G356 L357 | Y277-H353 AromaticContact CE1-ND1 3.95Å; Y277-H353 AromaticContact CZ-ND1 3.76Å; Y277-H353 PolarHBondContact OH-ND1 2.89Å; F309-H353 HydrophobicContact CB-CB 3.97Å; F309-H353 HydrophobicContact CD1-CB 4.25Å; F309-H353 HydrophobicContact CD2-CB 4.13Å; F309-H353 AromaticContact CD2-ND1 3.82Å; F309-H353 HydrophobicContact CG-CB 3.85Å; Y349-H353 WeakPolarHBondContact O-CB 3.44Å; Y349-H353 PolarHBondContact O-N 2.9Å; E350-H353 WeakPolarHBondContact O-CB 3.14Å; E350-H353 PolarHBondContact O-N 2.78Å; E350-H353 VanDerWaalsContact O-N 3.14Å; H353-A355 PolarHBondContact O-N 3.01Å; H353-G356 WeakPolarHBondContact O-CA 3.07Å; H353-G356 PolarHBondContact O-N 2.92Å; H353-L357 PolarHBondContact O-N 2.9Å |
| 354 | Q | 94.3 | Very high | 91.1 | Very high | 89 Ų | 89 | 45.8 Ų | 45.8 | 42% | 0.416 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.5 | -48.3 | 175.9 | -67 | -54.9 | -39.4 | 0 | 0 | 111.9 | F261 E350 G356 L357 T358 | F261-Q354 HydrophobicContact CZ-CB 4.47Å; E350-Q354 WeakPolarHBondContact O-CG 3.48Å; E350-Q354 PolarHBondContact O-N 3.17Å; Q354-G356 PolarHBondContact O-N 3.03Å; Q354-L357 PolarHBondContact O-N 2.88Å; Q354-T358 WeakPolarHBondContact O-CG2 3.32Å |
| 355 | A | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -36 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F261 Y265 L273 M351 V352 H353 T358 C359 | F261-A355 HydrophobicContact CB-CB 4.05Å; F261-A355 HydrophobicContact CD1-CB 3.48Å; F261-A355 VanDerWaalsContact CD1-CB 3.48Å; F261-A355 HydrophobicContact CD2-CB 4.28Å; F261-A355 HydrophobicContact CE1-CB 3.91Å; F261-A355 HydrophobicContact CG-CB 3.68Å; F261-A355 HydrophobicContact CZ-CB 4.48Å; Y265-A355 HydrophobicContact CD2-CB 3.98Å; Y265-A355 HydrophobicContact CE2-CB 3.51Å; L273-A355 HydrophobicContact CD1-CB 4.06Å; M351-A355 WeakPolarHBondContact O-CB 3.45Å; M351-A355 PolarHBondContact O-N 2.76Å; V352-A355 PolarHBondContact O-N 3.03Å; H353-A355 PolarHBondContact O-N 3.01Å; A355-T358 PolarHBondContact O-N 3.44Å; A355-T358 PolarHBondContact O-OG1 3.35Å; A355-T358 VanDerWaalsContact O-OG1 3.11Å; A355-C359 PolarHBondContact O-SG 3.39Å |
| 356 | G | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y277 V352 H353 Q354 T358 C359 | Y277-G356 WeakPolarHBondContact CB-O 3.43Å; Y277-G356 WeakPolarHBondContact CD1-O 3.42Å; Y277-G356 VanDerWaalsContact CD2-CA 3.47Å; Y277-G356 VanDerWaalsContact CE2-CA 3.47Å; V352-G356 PolarHBondContact O-N 3.5Å; H353-G356 WeakPolarHBondContact O-CA 3.07Å; H353-G356 PolarHBondContact O-N 2.92Å; Q354-G356 PolarHBondContact O-N 3.03Å; G356-T358 PolarHBondContact O-N 3.38Å; G356-T358 VanDerWaalsContact O-N 3.1Å; G356-C359 WeakPolarHBondContact O-CB 3.28Å; G356-C359 PolarHBondContact O-N 2.68Å |
| 357 | L | 93.3 | Very high | 91.5 | Very high | 45 Ų | 45 | 39 Ų | 39 | 24% | 0.236 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57 | -26.3 | 177.2 | -67.7 | 172.8 | 0 | 0 | 0 | 112.1 | Y277 L302 H353 Q354 | Y277-L357 HydrophobicContact CD1-CD2 4.33Å; Y277-L357 HydrophobicContact CE1-CD2 3.98Å; Y277-L357 HydrophobicContact CE1-CG 4.25Å; L302-L357 HydrophobicContact CD2-CD2 3.68Å; H353-L357 PolarHBondContact O-N 2.9Å; Q354-L357 PolarHBondContact O-N 2.88Å |
| 358 | T | 91.3 | Very high | 91.5 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 19% | 0.19 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 14.9 | -178.7 | 80.7 | 0 | 0 | 0 | 0 | 114.1 | F261 Q354 A355 G356 L364 | F261-T358 HydrophobicContact CE2-CG2 3.97Å; Q354-T358 WeakPolarHBondContact O-CG2 3.32Å; A355-T358 PolarHBondContact O-N 3.44Å; A355-T358 PolarHBondContact O-OG1 3.35Å; A355-T358 VanDerWaalsContact O-OG1 3.11Å; G356-T358 PolarHBondContact O-N 3.38Å; G356-T358 VanDerWaalsContact O-N 3.1Å; T358-L364 HydrophobicContact CG2-CD1 3.88Å; T358-L364 HydrophobicContact CG2-CG 4.28Å |
| 359 | C | 85.4 | Confident | 91.6 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.02 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -116.3 | 15.1 | -173.5 | -77.9 | 0 | 0 | 0 | 0 | 114.3 | Y270 L273 K274 A355 G356 | Y270-C359 WeakPolarHBondContact CE2-SG 3.38Å; Y270-C359 PolarHBondContact OH-SG 2.86Å; L273-C359 HydrophobicContact CB-CB 4.35Å; K274-C359 WeakPolarHBondContact CA-O 3.49Å; K274-C359 HydrophobicContact CG-CB 4Å; K274-C359 WeakPolarHBondContact CG-O 3.46Å; A355-C359 PolarHBondContact O-SG 3.39Å; G356-C359 WeakPolarHBondContact O-CB 3.28Å; G356-C359 PolarHBondContact O-N 2.68Å |
| 360 | D | 79.9 | Confident | 91.7 | Very high | 19 Ų | 19 | 40.5 Ų | 40.5 | 10% | 0.102 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -80.8 | -81.3 | -166.7 | 55.3 | 5.1 | 0 | 0 | 0 | 115 | S132 Y277 F279 R298 | S132-D360 VanDerWaalsContact CB-OD2 3.26Å; S132-D360 WeakPolarHBondContact CB-OD2 3.15Å; Y277-D360 WeakPolarHBondContact O-CB 3.36Å; F279-D360 HydrophobicContact CB-CB 3.91Å; R298-D360 IonicContact CZ-OD2 3.55Å; R298-D360 IonicContact NH2-OD2 3.88Å; R298-D360 PolarHBondContact NH2-OD2 3.34Å |
| 361 | S | 71.1 | Confident | 91.7 | Very high | 35 Ų | 35 | 38.8 Ų | 38.8 | 25% | 0.245 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -105.7 | -59.1 | -179.9 | -82.7 | 0 | 0 | 0 | 0 | 110.5 | F279 E281 | F279-S361 WeakPolarHBondContact CD1-OG 3.26Å; E281-S361 WeakPolarHBondContact OE1-CB 3.25Å; E281-S361 PolarHBondContact OE1-OG 3.1Å |
| 362 | D | 75.6 | Confident | 91.8 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 36% | 0.358 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -111.2 | 98.4 | -175.6 | -66.1 | -56.5 | 0 | 0 | 0 | 108.7 | ||
| 363 | E | 84.4 | Confident | 91.9 | Very high | 57 Ų | 57 | 44.2 Ų | 44.2 | 27% | 0.266 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -58.7 | 145.4 | 179.2 | -177 | 177.2 | -172.8 | 0 | 0 | 111.7 | K262 Y270 K274 | K262-E363 WeakPolarHBondContact CE-OE1 3.5Å; K262-E363 IonicContact NZ-OE1 3.32Å; K262-E363 PolarHBondContact NZ-OE1 3.23Å; K262-E363 IonicContact NZ-OE2 3.47Å; Y270-E363 HydrophobicContact CE1-CG 4.18Å; Y270-E363 WeakPolarHBondContact CE1-OE1 3.41Å; Y270-E363 WeakPolarHBondContact OH-CG 3.4Å; Y270-E363 PolarHBondContact OH-OE1 2.99Å; K274-E363 IonicContact NZ-OE1 3.82Å; K274-E363 IonicContact NZ-OE2 3.37Å; K274-E363 PolarHBondContact NZ-OE2 3.22Å |
| 364 | L | 92.3 | Very high | 91.9 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 10% | 0.099 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -52.4 | 136.9 | 175.7 | -65.2 | 173.2 | 0 | 0 | 0 | 112.1 | N259 F261 T358 H366 Y404 | N259-L364 HydrophobicContact CB-CB 4.29Å; F261-L364 HydrophobicContact CD2-CD1 3.88Å; F261-L364 HydrophobicContact CE2-CD1 3.75Å; T358-L364 HydrophobicContact CG2-CD1 3.88Å; T358-L364 HydrophobicContact CG2-CG 4.28Å; L364-H366 PolarHBondContact O-N 2.94Å; L364-Y404 HydrophobicContact CD1-CE1 4.08Å |
| 365 | P | 94.6 | Very high | 92.1 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -47.1 | 134.9 | 174.2 | -27.8 | 32.4 | 0 | 0 | 0 | 113.1 | S49 N259 | S49-P365 WeakPolarHBondContact O-CG 3.29Å; N259-P365 PolarHBondContact N-O 3.24Å |
| 366 | H | 95.4 | Very high | 92.3 | Very high | 77 Ų | 77 | 40.3 Ų | 40.3 | 36% | 0.356 | 21% | 0.209 | S | C | . | . | trans | -143.4 | 107.9 | 171.5 | -177.2 | 95.4 | 0 | 0 | 0 | 109.6 | N259 K262 L364 | N259-H366 HydrophobicContact CB-CB 3.79Å; N259-H366 PolarHBondContact N-ND1 3.3Å; N259-H366 VanDerWaalsContact N-ND1 3.16Å; K262-H366 HydrophobicContact CD-CB 4.07Å; L364-H366 PolarHBondContact O-N 2.94Å | ||
| 367 | H | 97.2 | Very high | 92.4 | Very high | 42 Ų | 42 | 40.3 Ų | 40.3 | 19% | 0.194 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -157.4 | 94.2 | 178.1 | -174.8 | 76 | 0 | 0 | 0 | 110.7 | Y98 W99 C257 S369 E373 | Y98-H367 AromaticContact CZ-NE2 3.99Å; Y98-H367 PolarHBondContact OH-CE1 3.43Å; Y98-H367 VanDerWaalsContact OH-CE1 3.3Å; Y98-H367 PolarHBondContact OH-NE2 3.25Å; Y98-H367 VanDerWaalsContact OH-NE2 3.08Å; W99-H367 HydrophobicContact CB-CB 3.86Å; W99-H367 HydrophobicContact CD2-CB 3.61Å; W99-H367 AromaticContact CD2-CD2 3.59Å; W99-H367 AromaticContact CD2-CG 3.71Å; W99-H367 HydrophobicContact CE3-CB 4.09Å; W99-H367 AromaticContact CE3-CD2 3.15Å; W99-H367 AromaticContact CE3-CG 3.64Å; W99-H367 AromaticContact CE3-NE2 3.79Å; W99-H367 HydrophobicContact CG-CB 3.52Å; W99-H367 AromaticContact CG-CG 4Å; W99-H367 AromaticContact CH2-CD2 3.8Å; W99-H367 AromaticContact CZ3-CD2 3.27Å; W99-H367 WeakPolarHBondContact CZ3-CD2 3.36Å; W99-H367 AromaticContact CZ3-NE2 3.78Å; C257-H367 PolarHBondContact N-O 2.92Å; C257-H367 CarbonylContact O-C 3.52Å; C257-H367 WeakPolarHBondContact O-CA 3.34Å; C257-H367 PolarHBondContact O-N 2.98Å; C257-H367 VanDerWaalsContact O-O 3.13Å; H367-S369 PolarHBondContact CD2-OG 3.07Å; H367-S369 PolarHBondContact NE2-OG 3Å; H367-S369 PolarHBondContact O-N 3.11Å; H367-E373 IonicContact CE1-OE1 2.9Å; H367-E373 IonicContact NE2-OE1 3.35Å; H367-E373 IonicContact NE2-OE2 2.72Å |
| 368 | I | 97.9 | Very high | 92.7 | Very high | 68 Ų | 68 | 38.7 Ų | 38.7 | 35% | 0.349 | 20% | 0.201 | S | C | . | . | trans | -74 | 104.9 | 171.9 | -47.2 | -63.5 | 0 | 0 | 0 | 108.3 | S256 C257 K258 P406 | S256-I368 WeakPolarHBondContact OG-CA 3.3Å; C257-I368 PolarHBondContact O-N 2.98Å; K258-I368 HydrophobicContact CB-CD1 3.61Å; K258-I368 HydrophobicContact CD-CD1 4.44Å; K258-I368 HydrophobicContact CG-CD1 4.09Å; I368-P406 HydrophobicContact CD1-CG 3.5Å; I368-P406 HydrophobicContact CG2-CG 4.28Å | ||
| 369 | S | 98.2 | Very high | 93 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | trans | -73.7 | 146.5 | -175.6 | -69.8 | 0 | 0 | 0 | 0 | 112.7 | W99 F255 S256 H367 Q409 | W99-S369 WeakPolarHBondContact CH2-OG 3.46Å; F255-S369 WeakPolarHBondContact O-CB 3.36Å; F255-S369 PolarHBondContact O-OG 3.22Å; F255-S369 VanDerWaalsContact O-OG 3.06Å; S256-S369 PolarHBondContact OG-N 2.87Å; H367-S369 PolarHBondContact CD2-OG 3.07Å; H367-S369 PolarHBondContact NE2-OG 3Å; H367-S369 PolarHBondContact O-N 3.11Å; S369-Q409 PolarHBondContact O-NE2 3.1Å | ||
| 370 | T | 98 | Very high | 93.6 | Very high | 67 Ų | 67 | 39 Ų | 39 | 41% | 0.411 | 20% | 0.204 | S | C | . | . | trans | -71.7 | 163.1 | 168 | 59.8 | 0 | 0 | 0 | 0 | 111.5 | E372 E373 I374 | T370-E372 PolarHBondContact O-N 3.29Å; T370-E373 WeakPolarHBondContact CB-OE2 3.46Å; T370-E373 WeakPolarHBondContact CG2-OE2 3.35Å; T370-E373 PolarHBondContact N-OE2 2.92Å; T370-E373 PolarHBondContact O-N 2.95Å; T370-E373 VanDerWaalsContact O-N 3.12Å; T370-E373 WeakPolarHBondContact OG1-CB 3.26Å; T370-E373 VanDerWaalsContact OG1-CG 3.31Å; T370-E373 WeakPolarHBondContact OG1-CG 3.09Å; T370-E373 PolarHBondContact OG1-N 2.88Å; T370-E373 PolarHBondContact OG1-OE2 2.82Å; T370-I374 WeakPolarHBondContact O-CG1 3.4Å; T370-I374 PolarHBondContact O-N 2.9Å | ||
| 371 | E | 97.6 | Very high | 94.5 | Very high | 91 Ų | 91 | 38.5 Ų | 38.5 | 43% | 0.425 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.9 | -31.4 | 178.8 | 179.2 | 57.8 | -179 | 0 | 0 | 112.4 | S375 R416 | E371-S375 VanDerWaalsContact O-CB 3.3Å; E371-S375 WeakPolarHBondContact O-CB 3.21Å; E371-S375 PolarHBondContact O-N 2.87Å; E371-S375 PolarHBondContact O-OG 3.16Å; E371-R416 VanDerWaalsContact CD-NH1 3.28Å; E371-R416 IonicContact OE1-CZ 3.62Å; E371-R416 IonicContact OE1-NH1 2.64Å; E371-R416 PolarHBondContact OE1-NH1 2.9Å; E371-R416 IonicContact OE2-NH1 2.97Å; E371-R416 PolarHBondContact OE2-NH1 3.27Å; E371-R416 VanDerWaalsContact OE2-NH1 3.12Å |
| 372 | E | 97.5 | Very high | 95.8 | Very high | 133 Ų | 133 | 40.3 Ų | 40.3 | 62% | 0.621 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -65 | -41.9 | 171.8 | -67.7 | 74.3 | -163.1 | 0 | 0 | 112.2 | T370 S375 G376 | T370-E372 PolarHBondContact O-N 3.29Å; E372-S375 WeakPolarHBondContact O-CB 3.25Å; E372-S375 PolarHBondContact O-N 2.98Å; E372-G376 PolarHBondContact O-N 2.87Å |
| 373 | E | 97.8 | Very high | 96.9 | Very high | 52 Ų | 52 | 41 Ų | 41 | 24% | 0.243 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.6 | -47.2 | 177.1 | -77 | 165.5 | 139.9 | 0 | 0 | 111.7 | Y98 H367 T370 S375 G376 L377 | Y98-E373 PolarHBondContact OH-OE1 2.85Å; H367-E373 IonicContact CE1-OE1 2.9Å; H367-E373 IonicContact NE2-OE1 3.35Å; H367-E373 IonicContact NE2-OE2 2.72Å; T370-E373 WeakPolarHBondContact CB-OE2 3.46Å; T370-E373 WeakPolarHBondContact CG2-OE2 3.35Å; T370-E373 PolarHBondContact N-OE2 2.92Å; T370-E373 PolarHBondContact O-N 2.95Å; T370-E373 VanDerWaalsContact O-N 3.12Å; T370-E373 WeakPolarHBondContact OG1-CB 3.26Å; T370-E373 VanDerWaalsContact OG1-CG 3.31Å; T370-E373 WeakPolarHBondContact OG1-CG 3.09Å; T370-E373 PolarHBondContact OG1-N 2.88Å; T370-E373 PolarHBondContact OG1-OE2 2.82Å; E373-S375 PolarHBondContact O-N 3.27Å; E373-G376 CarbonylContact O-C 3.46Å; E373-G376 WeakPolarHBondContact O-CA 3.43Å; E373-G376 PolarHBondContact O-N 3.16Å; E373-L377 PolarHBondContact O-N 3.29Å |
| 374 | I | 98.5 | Very high | 97.5 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.9 | -43.5 | 173.2 | -64.8 | 169.9 | 0 | 0 | 0 | 109.2 | T370 G376 L377 I378 V413 | T370-I374 WeakPolarHBondContact O-CG1 3.4Å; T370-I374 PolarHBondContact O-N 2.9Å; I374-G376 PolarHBondContact O-N 2.87Å; I374-L377 PolarHBondContact O-N 2.92Å; I374-I378 HydrophobicContact CG2-CG1 4.16Å; I374-I378 WeakPolarHBondContact O-CB 3.49Å; I374-I378 WeakPolarHBondContact O-CG1 3.39Å; I374-I378 PolarHBondContact O-N 2.84Å; I374-V413 HydrophobicContact CD1-CG2 4.19Å; I374-V413 HydrophobicContact CG2-CG2 3.97Å |
| 375 | S | 98.4 | Very high | 97.7 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 176 | -58.2 | 0 | 0 | 0 | 0 | 114.1 | E371 E372 E373 S379 R416 | E371-S375 VanDerWaalsContact O-CB 3.3Å; E371-S375 WeakPolarHBondContact O-CB 3.21Å; E371-S375 PolarHBondContact O-N 2.87Å; E371-S375 PolarHBondContact O-OG 3.16Å; E372-S375 WeakPolarHBondContact O-CB 3.25Å; E372-S375 PolarHBondContact O-N 2.98Å; E373-S375 PolarHBondContact O-N 3.27Å; S375-S379 WeakPolarHBondContact O-CB 3.39Å; S375-S379 PolarHBondContact O-N 3.06Å; S375-S379 PolarHBondContact O-OG 3.31Å; S375-R416 VanDerWaalsContact CB-NH2 3.33Å; S375-R416 PolarHBondContact OG-NH2 2.99Å |
| 376 | G | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V158 E372 E373 I374 S379 A380 | V158-G376 PolarHBondContact N-O 2.88Å; V158-G376 VanDerWaalsContact O-CA 3.3Å; V158-G376 WeakPolarHBondContact O-CA 3.32Å; E372-G376 PolarHBondContact O-N 2.87Å; E373-G376 CarbonylContact O-C 3.46Å; E373-G376 WeakPolarHBondContact O-CA 3.43Å; E373-G376 PolarHBondContact O-N 3.16Å; I374-G376 PolarHBondContact O-N 2.87Å; G376-S379 PolarHBondContact O-N 2.86Å; G376-A380 WeakPolarHBondContact O-CB 3.35Å; G376-A380 PolarHBondContact O-N 3.5Å |
| 377 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70 | -46 | 178.1 | -71.3 | 170 | 0 | 0 | 0 | 112 | W99 P157 F254 F255 E373 I374 S379 A380 V381 | W99-L377 HydrophobicContact CH2-CD1 3.49Å; W99-L377 VanDerWaalsContact CH2-CD1 3.49Å; W99-L377 HydrophobicContact CZ3-CD1 3.91Å; P157-L377 HydrophobicContact CB-CD2 4.21Å; P157-L377 HydrophobicContact CB-CG 4.13Å; F254-L377 HydrophobicContact CE1-CB 4.45Å; F254-L377 HydrophobicContact CE1-CD2 4.33Å; F254-L377 HydrophobicContact CZ-CD2 4.45Å; F255-L377 HydrophobicContact CD1-CB 3.75Å; F255-L377 HydrophobicContact CE1-CB 4.17Å; E373-L377 PolarHBondContact O-N 3.29Å; I374-L377 PolarHBondContact O-N 2.92Å; L377-S379 PolarHBondContact O-N 2.81Å; L377-A380 WeakPolarHBondContact O-CA 3.27Å; L377-A380 WeakPolarHBondContact O-CB 3.24Å; L377-A380 PolarHBondContact O-N 2.89Å; L377-V381 WeakPolarHBondContact O-CG2 3.36Å; L377-V381 PolarHBondContact O-N 3.39Å |
| 378 | I | 98.6 | Very high | 97.6 | Very high | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.062 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.9 | -42.6 | 173.6 | -68.7 | -73.9 | 0 | 0 | 0 | 110.4 | F255 I374 V381 Q382 R416 V417 V420 | F255-I378 HydrophobicContact CD1-CD1 3.81Å; F255-I378 HydrophobicContact CD1-CG1 3.99Å; F255-I378 HydrophobicContact CE1-CD1 3.43Å; F255-I378 VanDerWaalsContact CE1-CD1 3.43Å; F255-I378 HydrophobicContact CE1-CG1 3.89Å; F255-I378 HydrophobicContact CE2-CD1 4.47Å; F255-I378 HydrophobicContact CG-CD1 4.49Å; F255-I378 HydrophobicContact CZ-CD1 3.8Å; I374-I378 HydrophobicContact CG2-CG1 4.16Å; I374-I378 WeakPolarHBondContact O-CB 3.49Å; I374-I378 WeakPolarHBondContact O-CG1 3.39Å; I374-I378 PolarHBondContact O-N 2.84Å; I378-V381 PolarHBondContact O-N 2.86Å; I378-Q382 WeakPolarHBondContact O-CB 3.4Å; I378-Q382 PolarHBondContact O-N 3.21Å; I378-R416 HydrophobicContact CD1-CB 4.16Å; I378-R416 HydrophobicContact CG1-CB 4.47Å; I378-V417 HydrophobicContact CD1-CB 4.5Å; I378-V417 HydrophobicContact CD1-CG2 3.45Å; I378-V417 VanDerWaalsContact CD1-CG2 3.45Å; I378-V420 HydrophobicContact CG2-CG2 3.7Å |
| 379 | S | 98.4 | Very high | 97.4 | Very high | 40 Ų | 40 | 41.4 Ų | 41.4 | 28% | 0.28 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.4 | -38.9 | 175.4 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | S375 G376 L377 L383 | S375-S379 WeakPolarHBondContact O-CB 3.39Å; S375-S379 PolarHBondContact O-N 3.06Å; S375-S379 PolarHBondContact O-OG 3.31Å; G376-S379 PolarHBondContact O-N 2.86Å; L377-S379 PolarHBondContact O-N 2.81Å; S379-L383 VanDerWaalsContact O-CG 3.32Å; S379-L383 WeakPolarHBondContact O-CG 3.22Å; S379-L383 PolarHBondContact O-N 3.04Å |
| 380 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -50 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V155 V158 T229 G376 L377 Q382 L383 V384 | V155-A380 HydrophobicContact CG1-CB 4.03Å; V158-A380 HydrophobicContact CG2-CB 3.93Å; T229-A380 HydrophobicContact CG2-CB 3.95Å; G376-A380 WeakPolarHBondContact O-CB 3.35Å; G376-A380 PolarHBondContact O-N 3.5Å; L377-A380 WeakPolarHBondContact O-CA 3.27Å; L377-A380 WeakPolarHBondContact O-CB 3.24Å; L377-A380 PolarHBondContact O-N 2.89Å; A380-Q382 PolarHBondContact O-N 3.46Å; A380-L383 PolarHBondContact O-N 3.38Å; A380-V384 WeakPolarHBondContact O-CG2 3.41Å; A380-V384 PolarHBondContact O-N 2.93Å |
| 381 | V | 98.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 5% | 0.048 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.2 | -46.1 | 177.4 | 173 | 0 | 0 | 0 | 0 | 110.7 | L47 F254 F255 L377 I378 L383 V384 L385 | L47-V381 HydrophobicContact CD2-CB 4.32Å; L47-V381 HydrophobicContact CD2-CG1 3.8Å; L47-V381 HydrophobicContact CD2-CG2 3.52Å; F254-V381 HydrophobicContact CE1-CG2 3.71Å; F254-V381 HydrophobicContact CZ-CG2 4.27Å; F255-V381 HydrophobicContact CE1-CG2 3.98Å; F255-V381 HydrophobicContact CZ-CG2 4.06Å; L377-V381 WeakPolarHBondContact O-CG2 3.36Å; L377-V381 PolarHBondContact O-N 3.39Å; I378-V381 PolarHBondContact O-N 2.86Å; V381-L383 VanDerWaalsContact C-N 3.33Å; V381-L383 PolarHBondContact O-N 3.21Å; V381-V384 PolarHBondContact O-N 3.26Å; V381-L385 HydrophobicContact CG1-CD1 3.69Å; V381-L385 HydrophobicContact CG1-CG 4.01Å; V381-L385 WeakPolarHBondContact O-CB 3.27Å; V381-L385 VanDerWaalsContact O-CG 3.29Å; V381-L385 WeakPolarHBondContact O-CG 3.47Å; V381-L385 PolarHBondContact O-N 3.32Å |
| 382 | Q | 98.4 | Very high | 97.2 | Very high | 73 Ų | 73 | 39.3 Ų | 39.3 | 34% | 0.341 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.1 | -45.2 | 176.3 | -177.3 | 179 | 12.6 | 0 | 0 | 112.2 | I378 A380 K386 V420 L424 | I378-Q382 WeakPolarHBondContact O-CB 3.4Å; I378-Q382 PolarHBondContact O-N 3.21Å; A380-Q382 PolarHBondContact O-N 3.46Å; Q382-K386 WeakPolarHBondContact O-CB 3.2Å; Q382-K386 PolarHBondContact O-N 2.96Å; Q382-V420 HydrophobicContact CB-CG1 3.73Å; Q382-V420 HydrophobicContact CB-CG2 4.11Å; Q382-V420 HydrophobicContact CG-CG1 3.95Å; Q382-V420 HydrophobicContact CG-CG2 4.39Å; Q382-L424 HydrophobicContact CG-CD1 4.41Å |
| 383 | L | 98 | Very high | 97.3 | Very high | 82 Ų | 82 | 33 Ų | 33 | 43% | 0.429 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.9 | -38.9 | 179.3 | -73.2 | 174.1 | 0 | 0 | 0 | 112.4 | V158 T229 S379 A380 V381 | V158-L383 HydrophobicContact CG2-CD1 3.97Å; T229-L383 HydrophobicContact CG2-CB 3.99Å; T229-L383 HydrophobicContact CG2-CD1 4.05Å; S379-L383 VanDerWaalsContact O-CG 3.32Å; S379-L383 WeakPolarHBondContact O-CG 3.22Å; S379-L383 PolarHBondContact O-N 3.04Å; A380-L383 PolarHBondContact O-N 3.38Å; V381-L383 VanDerWaalsContact C-N 3.33Å; V381-L383 PolarHBondContact O-N 3.21Å |
| 384 | V | 97.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.024 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.3 | -55.8 | 175.6 | 170.3 | 0 | 0 | 0 | 0 | 110 | T229 V232 V233 L236 A380 V381 K386 A387 L388 | T229-V384 HydrophobicContact CG2-CG2 4.4Å; V232-V384 HydrophobicContact CB-CG2 3.97Å; V232-V384 HydrophobicContact CG1-CG1 3.94Å; V232-V384 HydrophobicContact CG1-CG2 3.71Å; V233-V384 HydrophobicContact CG2-CB 4.37Å; V233-V384 HydrophobicContact CG2-CG1 4.42Å; V233-V384 HydrophobicContact CG2-CG2 4.26Å; L236-V384 HydrophobicContact CD1-CG1 3.51Å; A380-V384 WeakPolarHBondContact O-CG2 3.41Å; A380-V384 PolarHBondContact O-N 2.93Å; V381-V384 PolarHBondContact O-N 3.26Å; V384-K386 VanDerWaalsContact C-N 3.28Å; V384-K386 PolarHBondContact O-N 3.29Å; V384-A387 WeakPolarHBondContact O-CB 3.46Å; V384-A387 PolarHBondContact O-N 3.04Å; V384-L388 HydrophobicContact CG1-CD1 4.16Å; V384-L388 WeakPolarHBondContact O-CG 3.23Å |
| 385 | L | 97.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.3 | -35.7 | -177.8 | -69.1 | -175.4 | 0 | 0 | 0 | 112.7 | L248 V381 A387 L388 L421 L424 | L248-L385 HydrophobicContact CD1-CD2 3.94Å; L248-L385 HydrophobicContact CD2-CD1 3.86Å; L248-L385 HydrophobicContact CD2-CD2 3.74Å; L248-L385 HydrophobicContact CD2-CG 4.48Å; V381-L385 HydrophobicContact CG1-CD1 3.69Å; V381-L385 HydrophobicContact CG1-CG 4.01Å; V381-L385 WeakPolarHBondContact O-CB 3.27Å; V381-L385 VanDerWaalsContact O-CG 3.29Å; V381-L385 WeakPolarHBondContact O-CG 3.47Å; V381-L385 PolarHBondContact O-N 3.32Å; L385-A387 PolarHBondContact O-N 3.11Å; L385-A387 VanDerWaalsContact O-N 3.16Å; L385-L388 HydrophobicContact CD2-CD1 4.28Å; L385-L388 PolarHBondContact O-N 3.31Å; L385-L421 HydrophobicContact CD1-CD2 4.07Å; L385-L424 HydrophobicContact CB-CD1 3.62Å; L385-L424 HydrophobicContact CD1-CD1 4.45Å |
| 386 | K | 96.7 | Very high | 97.4 | Very high | 156 Ų | 156 | 29.1 Ų | 29.1 | 68% | 0.678 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -58.3 | -27.2 | 175 | -176.6 | 175.2 | 179.8 | 178.5 | 0 | 113.4 | Q382 V384 L424 | Q382-K386 WeakPolarHBondContact O-CB 3.2Å; Q382-K386 PolarHBondContact O-N 2.96Å; V384-K386 VanDerWaalsContact C-N 3.28Å; V384-K386 PolarHBondContact O-N 3.29Å; K386-L424 HydrophobicContact CB-CD2 3.86Å; K386-L424 HydrophobicContact CG-CD2 4.19Å |
| 387 | A | 94.6 | Very high | 97.4 | Very high | 58 Ų | 58 | 29 Ų | 29 | 48% | 0.479 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -5.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V233 V384 L385 | V233-A387 HydrophobicContact CB-CB 4.33Å; V233-A387 HydrophobicContact CG1-CB 3.58Å; V233-A387 HydrophobicContact CG2-CB 3.69Å; V384-A387 WeakPolarHBondContact O-CB 3.46Å; V384-A387 PolarHBondContact O-N 3.04Å; L385-A387 PolarHBondContact O-N 3.11Å; L385-A387 VanDerWaalsContact O-N 3.16Å |
| 388 | L | 93.6 | Very high | 97.4 | Very high | 20 Ų | 20 | 29.8 Ų | 29.8 | 11% | 0.105 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -101.7 | 157.2 | -178.3 | -58.4 | -178.9 | 0 | 0 | 0 | 111.2 | L236 L240 V384 L385 | L236-L388 HydrophobicContact CB-CD2 3.78Å; L236-L388 HydrophobicContact CD1-CD1 3.84Å; L236-L388 HydrophobicContact CD1-CD2 4.32Å; L240-L388 HydrophobicContact CD1-CD1 4.27Å; L240-L388 HydrophobicContact CD1-CD2 4.28Å; V384-L388 HydrophobicContact CG1-CD1 4.16Å; V384-L388 WeakPolarHBondContact O-CG 3.23Å; L385-L388 HydrophobicContact CD2-CD1 4.28Å; L385-L388 PolarHBondContact O-N 3.31Å |
| 389 | P | 94 | Very high | 97.3 | Very high | 36 Ų | 36 | 29.4 Ų | 29.4 | 23% | 0.234 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 159.5 | 167.7 | 27.1 | -34.2 | 0 | 0 | 0 | 110.7 | L240 Y246 | L240-P389 HydrophobicContact CB-CG 4.44Å; L240-P389 HydrophobicContact CD1-CG 4.42Å; Y246-P389 HydrophobicContact CE1-CG 4.1Å; Y246-P389 VanDerWaalsContact CE1-O 3.28Å; Y246-P389 WeakPolarHBondContact CE1-O 3.26Å; Y246-P389 PolarHBondContact OH-O 2.98Å |
| 390 | T | 95.2 | Very high | 97.2 | Very high | 89 Ų | 89 | 28.3 Ų | 28.3 | 55% | 0.546 | 16% | 0.157 | S | C | . | . | P | Polyproline II helix | trans | -62.7 | 132.5 | 175.6 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | Y425 | T390-Y425 HydrophobicContact CG2-CD1 3.78Å; T390-Y425 HydrophobicContact CG2-CE1 4.19Å; T390-Y425 HydrophobicContact CG2-CG 4.28Å |
| 391 | P | 97.3 | Very high | 97 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.039 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 157.9 | 176.1 | 24.7 | -30.8 | 0 | 0 | 0 | 111.7 | L13 Y246 L248 V394 Y425 | L13-P391 HydrophobicContact CD1-CG 4.07Å; L13-P391 VanDerWaalsContact CD1-O 3.29Å; L13-P391 WeakPolarHBondContact CD1-O 3.24Å; L13-P391 HydrophobicContact CD2-CG 4.03Å; Y246-P391 HydrophobicContact CD2-CB 4.47Å; Y246-P391 VanDerWaalsContact CE1-CA 3.46Å; Y246-P391 HydrophobicContact CE1-CB 3.98Å; Y246-P391 HydrophobicContact CE2-CB 3.88Å; Y246-P391 WeakPolarHBondContact OH-CD 3.34Å; L248-P391 HydrophobicContact CB-CB 3.88Å; L248-P391 HydrophobicContact CB-CG 4.14Å; L248-P391 HydrophobicContact CD2-CG 4.33Å; P391-V394 HydrophobicContact CG-CG2 3.91Å; P391-Y425 HydrophobicContact CG-CE2 4.35Å |
| 392 | T | 97.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 36.1 Ų | 36.1 | 14% | 0.135 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -78.9 | -30 | 174.3 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | Y10 H36 L37 Y246 | Y10-T392 WeakPolarHBondContact CD2-O 3.46Å; Y10-T392 WeakPolarHBondContact CE2-O 3.44Å; H36-T392 HydrophobicContact CB-CG2 4.46Å; H36-T392 WeakPolarHBondContact O-CG2 3.45Å; L37-T392 HydrophobicContact CD2-CG2 3.69Å; L37-T392 HydrophobicContact CG-CG2 4.17Å; Y246-T392 PolarHBondContact O-N 3.21Å |
| 393 | L | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 141.1 | -176.6 | 178.2 | 68.6 | 0 | 0 | 0 | 107.7 | P14 I28 A31 L248 T395 | P14-L393 HydrophobicContact CB-CD1 3.93Å; P14-L393 HydrophobicContact CG-CD1 3.53Å; I28-L393 HydrophobicContact CG1-CD2 4.23Å; A31-L393 HydrophobicContact CB-CD2 4.15Å; L248-L393 PolarHBondContact N-O 3.22Å; L248-L393 VanDerWaalsContact N-O 3.11Å; L393-T395 HydrophobicContact CD2-CG2 4.09Å; L393-T395 HydrophobicContact CG-CG2 4.31Å |
| 394 | V | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132.1 | 164.5 | -174.7 | 0 | 0 | 0 | 0 | 109 | L13 P14 V15 W16 L248 I250 P391 L421 | L13-V394 HydrophobicContact CD1-CG2 4.23Å; L13-V394 HydrophobicContact CD2-CG2 3.84Å; L13-V394 HydrophobicContact CG-CG2 4.11Å; P14-V394 PolarHBondContact O-N 3.47Å; V15-V394 WeakPolarHBondContact CA-O 3.31Å; V15-V394 HydrophobicContact CB-CB 4.38Å; V15-V394 HydrophobicContact CG1-CB 4.19Å; V15-V394 HydrophobicContact CG1-CG1 4.07Å; V15-V394 HydrophobicContact CG2-CB 4.07Å; V15-V394 HydrophobicContact CG2-CG2 4.4Å; W16-V394 PolarHBondContact N-O 3.04Å; L248-V394 HydrophobicContact CB-CG2 4.32Å; L248-V394 HydrophobicContact CD2-CG2 4.23Å; L248-V394 VanDerWaalsContact O-CA 3.26Å; L248-V394 WeakPolarHBondContact O-CA 3.26Å; I250-V394 HydrophobicContact CD1-CG1 4.29Å; P391-V394 HydrophobicContact CG-CG2 3.91Å; V394-L421 HydrophobicContact CG1-CD1 4.04Å |
| 395 | T | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 145.3 | 168.4 | 41.8 | 0 | 0 | 0 | 0 | 108.4 | W16 V24 I28 L248 D249 I250 L393 | W16-T395 CarbonylContact O-C 3.25Å; W16-T395 WeakPolarHBondContact O-CA 3.46Å; V24-T395 HydrophobicContact CB-CG2 3.87Å; V24-T395 HydrophobicContact CG1-CG2 4.13Å; I28-T395 HydrophobicContact CG1-CG2 4.29Å; L248-T395 PolarHBondContact O-N 2.65Å; D249-T395 WeakPolarHBondContact OD1-CB 3.46Å; D249-T395 PolarHBondContact OD1-OG1 3.48Å; I250-T395 PolarHBondContact N-O 3.42Å; L393-T395 HydrophobicContact CD2-CG2 4.09Å; L393-T395 HydrophobicContact CG-CG2 4.31Å |
| 396 | M | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 122.9 | -177.2 | -178.7 | -178 | -69.3 | 0 | 0 | 110.1 | W16 I17 V18 I250 L252 Q414 V417 L421 | W16-M396 PolarHBondContact O-N 3.5Å; I17-M396 CarbonylContact C-O 3.6Å; I17-M396 WeakPolarHBondContact CA-O 3.39Å; I17-M396 HydrophobicContact CD1-SD 4.11Å; I17-M396 HydrophobicContact CG1-CB 4.21Å; I17-M396 HydrophobicContact CG1-SD 4.09Å; I17-M396 HydrophobicContact CG2-CB 4.41Å; I17-M396 HydrophobicContact CG2-CG 4.29Å; I17-M396 HydrophobicContact CG2-SD 4.2Å; V18-M396 PolarHBondContact N-O 3.19Å; I250-M396 CarbonylContact O-C 3.56Å; I250-M396 WeakPolarHBondContact O-CA 3.49Å; L252-M396 HydrophobicContact CD1-SD 4.44Å; L252-M396 HydrophobicContact CD2-CE 4.44Å; L252-M396 HydrophobicContact CD2-CG 4.03Å; L252-M396 HydrophobicContact CD2-SD 3.93Å; L252-M396 HydrophobicContact CG-CG 4.21Å; L252-M396 HydrophobicContact CG-SD 4.42Å; M396-Q414 HydrophobicContact SD-CG 3.74Å; M396-V417 HydrophobicContact CE-CB 4Å; M396-V417 HydrophobicContact CE-CG1 3.44Å; M396-V417 VanDerWaalsContact CE-CG1 3.44Å; M396-L421 HydrophobicContact CE-CD1 4.44Å |
| 397 | S | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 140.6 | 171.7 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | E19 H21 I250 D251 L252 S399 | E19-S397 PolarHBondContact O-OG 3.33Å; H21-S397 WeakPolarHBondContact CA-OG 3.21Å; H21-S397 PolarHBondContact N-OG 3.26Å; I250-S397 PolarHBondContact O-N 2.68Å; D251-S397 VanDerWaalsContact OD2-CB 3.29Å; D251-S397 WeakPolarHBondContact OD2-CB 3.47Å; D251-S397 PolarHBondContact OD2-OG 3.43Å; L252-S397 VanDerWaalsContact CG-O 3.3Å; L252-S397 WeakPolarHBondContact CG-O 3.48Å; L252-S397 PolarHBondContact N-O 3.48Å; L252-S397 VanDerWaalsContact N-O 3.13Å; S397-S399 PolarHBondContact OG-OG 3.29Å |
| 398 | R | 98.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 34.8 Ų | 34.8 | 6% | 0.06 | 19% | 0.192 | C | C | . | . | trans | -90.3 | -33 | 177.8 | -76.3 | 175 | 58.1 | 96.8 | 3 | 112.2 | I17 V18 E19 L252 S400 C405 V410 D411 Y434 | I17-R398 HydrophobicContact CG2-CG 3.93Å; V18-R398 WeakPolarHBondContact O-CG 3.35Å; V18-R398 PolarHBondContact O-N 3.49Å; V18-R398 VanDerWaalsContact O-N 3.16Å; E19-R398 PolarHBondContact O-N 2.85Å; E19-R398 VanDerWaalsContact OE2-CD 3.27Å; E19-R398 WeakPolarHBondContact OE2-CD 3.31Å; E19-R398 IonicContact OE2-NE 2.64Å; E19-R398 PolarHBondContact OE2-NE 3.48Å; E19-R398 VanDerWaalsContact OE2-NE 3.11Å; L252-R398 HydrophobicContact CD1-CG 4.25Å; R398-S400 PolarHBondContact O-N 2.93Å; R398-C405 WeakPolarHBondContact O-CB 3.28Å; R398-V410 HydrophobicContact CB-CG2 4.08Å; R398-V410 HydrophobicContact CG-CG2 4.32Å; R398-D411 IonicContact CZ-OD1 3.14Å; R398-D411 IonicContact NH1-OD1 2.74Å; R398-D411 PolarHBondContact NH1-OD1 2.91Å; R398-D411 IonicContact NH2-OD1 3.56Å; R398-D411 PolarHBondContact NH2-OD1 3Å; R398-Y434 PolarHBondContact NH1-OH 2.58Å | ||
| 399 | S | 96.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | trans | 46.5 | 41.3 | -178.9 | -53 | 0 | 0 | 0 | 0 | 112 | E19 D251 S397 D402 Y404 C405 | E19-S399 PolarHBondContact O-N 2.94Å; D251-S399 VanDerWaalsContact CG-OG 3.26Å; D251-S399 WeakPolarHBondContact OD1-CB 3.28Å; D251-S399 PolarHBondContact OD1-OG 3.31Å; D251-S399 VanDerWaalsContact OD1-OG 3.1Å; D251-S399 PolarHBondContact OD2-OG 3.36Å; S397-S399 PolarHBondContact OG-OG 3.29Å; S399-D402 WeakPolarHBondContact CA-OD1 3.45Å; S399-Y404 PolarHBondContact O-N 2.96Å; S399-C405 WeakPolarHBondContact O-CA 3.48Å; S399-C405 WeakPolarHBondContact O-CB 3.41Å; S399-C405 PolarHBondContact O-N 2.89Å | ||
| 400 | S | 95.9 | Very high | 96.8 | Very high | 17 Ų | 17 | 33.7 Ų | 33.7 | 12% | 0.119 | 18% | 0.184 | C | C | . | . | trans | -102.1 | -28.3 | -176 | 68.4 | 0 | 0 | 0 | 0 | 113 | E19 R398 | E19-S400 VanDerWaalsContact OE1-CA 3.31Å; E19-S400 WeakPolarHBondContact OE1-CA 3.36Å; E19-S400 WeakPolarHBondContact OE1-CB 3.41Å; E19-S400 PolarHBondContact OE1-N 3.27Å; E19-S400 PolarHBondContact OE1-OG 3.04Å; E19-S400 PolarHBondContact OE2-OG 2.79Å; R398-S400 PolarHBondContact O-N 2.93Å | ||
| 401 | L | 94.2 | Very high | 96.9 | Very high | 135 Ų | 135 | 33.9 Ų | 33.9 | 71% | 0.707 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -79.5 | -28.7 | 175.7 | -67 | -170.3 | 0 | 0 | 0 | 113.7 | E19 E403 | E19-L401 HydrophobicContact CG-CB 3.97Å; E19-L401 HydrophobicContact CG-CD1 3.6Å; E19-L401 HydrophobicContact CG-CG 3.53Å; E19-L401 PolarHBondContact OE1-N 3.4Å; L401-E403 VanDerWaalsContact C-N 3.26Å |
| 402 | D | 91.1 | Very high | 97 | Very high | 36 Ų | 36 | 36.2 Ų | 36.2 | 19% | 0.193 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -85.7 | -0.2 | 171.9 | 54.5 | 19.5 | 0 | 0 | 0 | 112.8 | I76 S399 Y404 | I76-D402 HydrophobicContact CD1-CB 4.49Å; S399-D402 WeakPolarHBondContact CA-OD1 3.45Å; D402-Y404 VanDerWaalsContact C-N 3.3Å; D402-Y404 HydrophobicContact CB-CD2 3.97Å; D402-Y404 HydrophobicContact CB-CE2 4.28Å; D402-Y404 PolarHBondContact O-N 2.93Å; D402-Y404 PolarHBondContact OD1-N 2.9Å |
| 403 | E | 94 | Very high | 97.1 | Very high | 94 Ų | 94 | 35.2 Ų | 35.2 | 44% | 0.439 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 66.1 | 16.8 | 175.6 | -52.5 | -168.5 | 101.9 | 0 | 0 | 116 | K258 P260 L401 | K258-E403 WeakPolarHBondContact CB-O 3.44Å; K258-E403 WeakPolarHBondContact CD-O 3.27Å; K258-E403 IonicContact NZ-OE1 3.88Å; P260-E403 HydrophobicContact CB-CB 4.16Å; L401-E403 VanDerWaalsContact C-N 3.26Å |
| 404 | Y | 96.6 | Very high | 97.1 | Very high | 32 Ų | 32 | 35.3 Ų | 35.3 | 13% | 0.125 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -74.7 | -42.3 | 175 | -74.8 | -70.5 | 0 | 0 | 0 | 112.9 | H50 I76 C257 K258 P260 L364 S399 D402 | H50-Y404 AromaticContact CE1-CD1 3.6Å; H50-Y404 AromaticContact NE2-CD1 4Å; I76-Y404 HydrophobicContact CD1-CD2 4.11Å; I76-Y404 HydrophobicContact CD1-CE2 3.65Å; C257-Y404 CarbonylContact C-O 3.58Å; C257-Y404 WeakPolarHBondContact CA-O 3.5Å; K258-Y404 PolarHBondContact N-O 3.39Å; K258-Y404 WeakPolarHBondContact O-CA 3.45Å; K258-Y404 VanDerWaalsContact O-CD1 3.29Å; K258-Y404 WeakPolarHBondContact O-CD1 3.42Å; P260-Y404 HydrophobicContact CG-CE1 4.22Å; L364-Y404 HydrophobicContact CD1-CE1 4.08Å; S399-Y404 PolarHBondContact O-N 2.96Å; D402-Y404 VanDerWaalsContact C-N 3.3Å; D402-Y404 HydrophobicContact CB-CD2 3.97Å; D402-Y404 HydrophobicContact CB-CE2 4.28Å; D402-Y404 PolarHBondContact O-N 2.93Å; D402-Y404 PolarHBondContact OD1-N 2.9Å |
| 405 | C | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -91.1 | 124.8 | 168.1 | -168.5 | 0 | 0 | 0 | 0 | 109.7 | D253 R398 S399 A407 | D253-C405 HydrophobicContact CB-CB 4.17Å; R398-C405 WeakPolarHBondContact O-CB 3.28Å; S399-C405 WeakPolarHBondContact O-CA 3.48Å; S399-C405 WeakPolarHBondContact O-CB 3.41Å; S399-C405 PolarHBondContact O-N 2.89Å; C405-A407 PolarHBondContact O-N 3.32Å |
| 406 | P | 97.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | trans | -57.7 | 125.1 | -177.9 | -28.2 | 37.7 | 0 | 0 | 0 | 112.9 | S256 K258 I368 E408 Q409 V410 | S256-P406 WeakPolarHBondContact O-CD 3.41Å; K258-P406 HydrophobicContact CB-CG 4.43Å; I368-P406 HydrophobicContact CD1-CG 3.5Å; I368-P406 HydrophobicContact CG2-CG 4.28Å; P406-E408 PolarHBondContact O-N 3.02Å; P406-E408 VanDerWaalsContact O-N 3.11Å; P406-Q409 HydrophobicContact CB-CB 4.29Å; P406-Q409 HydrophobicContact CB-CG 4.17Å; P406-Q409 PolarHBondContact O-N 3.23Å; P406-V410 PolarHBondContact O-N 2.88Å | ||
| 407 | A | 95.1 | Very high | 97.1 | Very high | 71 Ų | 71 | 40.6 Ų | 40.6 | 59% | 0.587 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -27.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | C405 Q409 | C405-A407 PolarHBondContact O-N 3.32Å; A407-Q409 VanDerWaalsContact C-N 3.33Å |
| 408 | E | 96.3 | Very high | 97.1 | Very high | 149 Ų | 149 | 41.6 Ų | 41.6 | 70% | 0.696 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -15.4 | 175.6 | 70.1 | -77.2 | -173.5 | 0 | 0 | 113.9 | P406 | P406-E408 PolarHBondContact O-N 3.02Å; P406-E408 VanDerWaalsContact O-N 3.11Å |
| 409 | Q | 98.1 | Very high | 97.1 | Very high | 32 Ų | 32 | 45.7 Ų | 45.7 | 15% | 0.15 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -32.2 | -178.2 | -59.5 | -175.9 | -46.4 | 0 | 0 | 112.9 | S256 S369 P406 A407 D411 S412 V413 | S256-Q409 PolarHBondContact OG-OE1 2.87Å; S369-Q409 PolarHBondContact O-NE2 3.1Å; P406-Q409 HydrophobicContact CB-CB 4.29Å; P406-Q409 HydrophobicContact CB-CG 4.17Å; P406-Q409 PolarHBondContact O-N 3.23Å; A407-Q409 VanDerWaalsContact C-N 3.33Å; Q409-D411 VanDerWaalsContact C-N 3.34Å; Q409-D411 PolarHBondContact O-N 3.36Å; Q409-D411 VanDerWaalsContact O-N 3.16Å; Q409-S412 WeakPolarHBondContact O-CB 3.49Å; Q409-S412 PolarHBondContact O-N 3.34Å; Q409-V413 HydrophobicContact CB-CG2 4.38Å; Q409-V413 WeakPolarHBondContact O-CG2 3.42Å; Q409-V413 PolarHBondContact O-N 3.42Å |
| 410 | V | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -49.8 | -46 | -171.1 | 66.8 | 0 | 0 | 0 | 0 | 114.1 | L252 R398 P406 S412 V413 Q414 | L252-V410 HydrophobicContact CD1-CG2 3.69Å; R398-V410 HydrophobicContact CB-CG2 4.08Å; R398-V410 HydrophobicContact CG-CG2 4.32Å; P406-V410 PolarHBondContact O-N 2.88Å; V410-S412 PolarHBondContact O-N 3.03Å; V410-V413 PolarHBondContact O-N 3.08Å; V410-Q414 VanDerWaalsContact O-CB 3.26Å; V410-Q414 WeakPolarHBondContact O-CB 3.38Å; V410-Q414 PolarHBondContact O-N 2.76Å |
| 411 | D | 98.4 | Very high | 97.3 | Very high | 93 Ų | 93 | 45.3 Ų | 45.3 | 50% | 0.497 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.6 | -34.6 | -176.9 | -79.5 | -17.2 | 0 | 0 | 0 | 112.6 | R398 Q409 S415 | R398-D411 IonicContact CZ-OD1 3.14Å; R398-D411 IonicContact NH1-OD1 2.74Å; R398-D411 PolarHBondContact NH1-OD1 2.91Å; R398-D411 IonicContact NH2-OD1 3.56Å; R398-D411 PolarHBondContact NH2-OD1 3Å; Q409-D411 VanDerWaalsContact C-N 3.34Å; Q409-D411 PolarHBondContact O-N 3.36Å; Q409-D411 VanDerWaalsContact O-N 3.16Å; D411-S415 WeakPolarHBondContact O-CB 3.19Å; D411-S415 PolarHBondContact O-N 3.13Å; D411-S415 PolarHBondContact O-OG 2.87Å |
| 412 | S | 98.4 | Very high | 97.5 | Very high | 55 Ų | 55 | 43.6 Ų | 43.6 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.7 | -50 | 174.9 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | Q409 V410 Q414 S415 R416 | Q409-S412 WeakPolarHBondContact O-CB 3.49Å; Q409-S412 PolarHBondContact O-N 3.34Å; V410-S412 PolarHBondContact O-N 3.03Å; S412-Q414 PolarHBondContact O-N 2.82Å; S412-S415 PolarHBondContact O-N 3.11Å; S412-R416 VanDerWaalsContact O-CG 3.23Å; S412-R416 WeakPolarHBondContact O-CG 3.38Å; S412-R416 PolarHBondContact O-N 2.98Å |
| 413 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.4 | -51.2 | 178.7 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | L252 F255 I374 Q409 V410 S415 R416 V417 | L252-V413 HydrophobicContact CB-CG1 4.45Å; L252-V413 HydrophobicContact CD2-CG1 4.01Å; F255-V413 HydrophobicContact CB-CG1 3.68Å; F255-V413 HydrophobicContact CB-CG2 4.37Å; F255-V413 HydrophobicContact CD2-CG1 3.39Å; F255-V413 HydrophobicContact CE2-CG1 4.17Å; F255-V413 HydrophobicContact CG-CG1 3.6Å; I374-V413 HydrophobicContact CD1-CG2 4.19Å; I374-V413 HydrophobicContact CG2-CG2 3.97Å; Q409-V413 HydrophobicContact CB-CG2 4.38Å; Q409-V413 WeakPolarHBondContact O-CG2 3.42Å; Q409-V413 PolarHBondContact O-N 3.42Å; V410-V413 PolarHBondContact O-N 3.08Å; V413-S415 VanDerWaalsContact C-N 3.29Å; V413-S415 PolarHBondContact O-N 3.26Å; V413-R416 PolarHBondContact O-N 2.91Å; V413-R416 VanDerWaalsContact O-N 3.12Å; V413-V417 HydrophobicContact CG1-CG2 4.29Å; V413-V417 WeakPolarHBondContact O-CG2 3.38Å; V413-V417 PolarHBondContact O-N 2.88Å |
| 414 | Q | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.3 | -47.1 | 178.2 | -169.3 | -168 | -90.3 | 0 | 0 | 111.7 | I17 L252 M396 V410 S412 R416 V417 L418 Y434 | I17-Q414 HydrophobicContact CD1-CG 4.23Å; L252-Q414 HydrophobicContact CD1-CB 3.62Å; L252-Q414 HydrophobicContact CD1-CG 4.09Å; M396-Q414 HydrophobicContact SD-CG 3.74Å; V410-Q414 VanDerWaalsContact O-CB 3.26Å; V410-Q414 WeakPolarHBondContact O-CB 3.38Å; V410-Q414 PolarHBondContact O-N 2.76Å; S412-Q414 PolarHBondContact O-N 2.82Å; Q414-R416 VanDerWaalsContact C-N 3.34Å; Q414-R416 PolarHBondContact O-N 2.92Å; Q414-V417 PolarHBondContact O-N 2.81Å; Q414-L418 HydrophobicContact CG-CD1 4.32Å; Q414-L418 VanDerWaalsContact O-CG 3.3Å; Q414-L418 WeakPolarHBondContact O-CG 3.42Å; Q414-L418 PolarHBondContact O-N 2.96Å; Q414-Y434 PolarHBondContact NE2-OH 2.92Å; Q414-Y434 PolarHBondContact OE1-OH 3.03Å |
| 415 | S | 98.7 | Very high | 98.1 | Very high | 58 Ų | 58 | 43.9 Ų | 43.9 | 41% | 0.406 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.5 | -41.7 | -178.6 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | D411 S412 V413 L418 D419 | D411-S415 WeakPolarHBondContact O-CB 3.19Å; D411-S415 PolarHBondContact O-N 3.13Å; D411-S415 PolarHBondContact O-OG 2.87Å; S412-S415 PolarHBondContact O-N 3.11Å; V413-S415 VanDerWaalsContact C-N 3.29Å; V413-S415 PolarHBondContact O-N 3.26Å; S415-L418 WeakPolarHBondContact O-CB 3.3Å; S415-L418 PolarHBondContact O-N 3.15Å; S415-D419 VanDerWaalsContact O-CG 3.29Å; S415-D419 PolarHBondContact O-N 3.44Å |
| 416 | R | 98.8 | Very high | 98.1 | Very high | 48 Ų | 48 | 45.5 Ų | 45.5 | 18% | 0.181 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.3 | -36.7 | 179.7 | -65.7 | 169.5 | 65.4 | 175.4 | 11.2 | 113 | E371 S375 I378 S412 V413 Q414 L418 D419 V420 | E371-R416 VanDerWaalsContact CD-NH1 3.28Å; E371-R416 IonicContact OE1-CZ 3.62Å; E371-R416 IonicContact OE1-NH1 2.64Å; E371-R416 PolarHBondContact OE1-NH1 2.9Å; E371-R416 IonicContact OE2-NH1 2.97Å; E371-R416 PolarHBondContact OE2-NH1 3.27Å; E371-R416 VanDerWaalsContact OE2-NH1 3.12Å; S375-R416 VanDerWaalsContact CB-NH2 3.33Å; S375-R416 PolarHBondContact OG-NH2 2.99Å; I378-R416 HydrophobicContact CD1-CB 4.16Å; I378-R416 HydrophobicContact CG1-CB 4.47Å; S412-R416 VanDerWaalsContact O-CG 3.23Å; S412-R416 WeakPolarHBondContact O-CG 3.38Å; S412-R416 PolarHBondContact O-N 2.98Å; V413-R416 PolarHBondContact O-N 2.91Å; V413-R416 VanDerWaalsContact O-N 3.12Å; Q414-R416 VanDerWaalsContact C-N 3.34Å; Q414-R416 PolarHBondContact O-N 2.92Å; R416-L418 VanDerWaalsContact C-N 3.35Å; R416-D419 PolarHBondContact O-N 3.3Å; R416-V420 WeakPolarHBondContact O-CG2 3.4Å; R416-V420 PolarHBondContact O-N 2.95Å; R416-V420 VanDerWaalsContact O-N 3.07Å |
| 417 | V | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.024 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 172.5 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | I250 L252 F255 I378 M396 V413 Q414 D419 V420 L421 | I250-V417 HydrophobicContact CD1-CG1 3.86Å; L252-V417 HydrophobicContact CD2-CG2 4.26Å; F255-V417 HydrophobicContact CD2-CG2 4.34Å; F255-V417 HydrophobicContact CE1-CG2 4.49Å; F255-V417 HydrophobicContact CE2-CG2 3.55Å; F255-V417 HydrophobicContact CZ-CG2 3.65Å; I378-V417 HydrophobicContact CD1-CB 4.5Å; I378-V417 HydrophobicContact CD1-CG2 3.45Å; I378-V417 VanDerWaalsContact CD1-CG2 3.45Å; M396-V417 HydrophobicContact CE-CB 4Å; M396-V417 HydrophobicContact CE-CG1 3.44Å; M396-V417 VanDerWaalsContact CE-CG1 3.44Å; V413-V417 HydrophobicContact CG1-CG2 4.29Å; V413-V417 WeakPolarHBondContact O-CG2 3.38Å; V413-V417 PolarHBondContact O-N 2.88Å; Q414-V417 PolarHBondContact O-N 2.81Å; V417-D419 PolarHBondContact O-N 3.46Å; V417-V420 WeakPolarHBondContact O-CB 3.42Å; V417-V420 PolarHBondContact O-N 3.37Å; V417-L421 HydrophobicContact CG1-CD1 4.14Å; V417-L421 HydrophobicContact CG1-CG 4.35Å; V417-L421 WeakPolarHBondContact O-CG 3.24Å; V417-L421 PolarHBondContact O-N 3.21Å |
| 418 | L | 98.9 | Very high | 98.2 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 175.6 | -72.2 | 171 | 0 | 0 | 0 | 112.3 | V15 I17 Q414 S415 R416 V420 L421 E422 L428 V430 | V15-L418 HydrophobicContact CG1-CD2 4.02Å; I17-L418 HydrophobicContact CD1-CD1 4.02Å; I17-L418 HydrophobicContact CD1-CD2 4.24Å; Q414-L418 HydrophobicContact CG-CD1 4.32Å; Q414-L418 VanDerWaalsContact O-CG 3.3Å; Q414-L418 WeakPolarHBondContact O-CG 3.42Å; Q414-L418 PolarHBondContact O-N 2.96Å; S415-L418 WeakPolarHBondContact O-CB 3.3Å; S415-L418 PolarHBondContact O-N 3.15Å; R416-L418 VanDerWaalsContact C-N 3.35Å; L418-V420 VanDerWaalsContact C-N 3.3Å; L418-V420 PolarHBondContact O-N 3.16Å; L418-L421 PolarHBondContact O-N 3.45Å; L418-E422 WeakPolarHBondContact O-CB 3.37Å; L418-E422 PolarHBondContact O-N 2.85Å; L418-L428 HydrophobicContact CD2-CD1 4.38Å; L418-V430 HydrophobicContact CD2-CG1 4.28Å; L418-V430 HydrophobicContact CD2-CG2 4.18Å |
| 419 | D | 98.8 | Very high | 98.3 | Very high | 102 Ų | 102 | 43.5 Ų | 43.5 | 55% | 0.545 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.6 | -40.4 | 175.3 | -69.2 | -20.8 | 0 | 0 | 0 | 111.7 | S415 R416 V417 A423 | S415-D419 VanDerWaalsContact O-CG 3.29Å; S415-D419 PolarHBondContact O-N 3.44Å; R416-D419 PolarHBondContact O-N 3.3Å; V417-D419 PolarHBondContact O-N 3.46Å; D419-A423 WeakPolarHBondContact O-CB 3.45Å; D419-A423 PolarHBondContact O-N 3.48Å |
| 420 | V | 98.7 | Very high | 98.3 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 174.5 | 164.6 | 0 | 0 | 0 | 0 | 111.4 | I378 Q382 R416 V417 L418 A423 L424 | I378-V420 HydrophobicContact CG2-CG2 3.7Å; Q382-V420 HydrophobicContact CB-CG1 3.73Å; Q382-V420 HydrophobicContact CB-CG2 4.11Å; Q382-V420 HydrophobicContact CG-CG1 3.95Å; Q382-V420 HydrophobicContact CG-CG2 4.39Å; R416-V420 WeakPolarHBondContact O-CG2 3.4Å; R416-V420 PolarHBondContact O-N 2.95Å; R416-V420 VanDerWaalsContact O-N 3.07Å; V417-V420 WeakPolarHBondContact O-CB 3.42Å; V417-V420 PolarHBondContact O-N 3.37Å; L418-V420 VanDerWaalsContact C-N 3.3Å; L418-V420 PolarHBondContact O-N 3.16Å; V420-A423 PolarHBondContact O-N 2.83Å; V420-L424 HydrophobicContact CG1-CD1 3.92Å; V420-L424 VanDerWaalsContact O-CG 3.3Å; V420-L424 WeakPolarHBondContact O-CG 3.48Å; V420-L424 PolarHBondContact O-N 2.93Å; V420-L424 VanDerWaalsContact O-N 3.07Å |
| 421 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 179.1 | -67.5 | 174.7 | 0 | 0 | 0 | 111.2 | V15 L248 L385 V394 M396 V417 L418 L424 Y425 L428 | V15-L421 HydrophobicContact CG1-CD1 4.45Å; V15-L421 HydrophobicContact CG2-CD1 4.39Å; L248-L421 HydrophobicContact CD2-CD2 4.07Å; L385-L421 HydrophobicContact CD1-CD2 4.07Å; V394-L421 HydrophobicContact CG1-CD1 4.04Å; M396-L421 HydrophobicContact CE-CD1 4.44Å; V417-L421 HydrophobicContact CG1-CD1 4.14Å; V417-L421 HydrophobicContact CG1-CG 4.35Å; V417-L421 WeakPolarHBondContact O-CG 3.24Å; V417-L421 PolarHBondContact O-N 3.21Å; L418-L421 PolarHBondContact O-N 3.45Å; L421-L424 PolarHBondContact O-N 2.94Å; L421-Y425 HydrophobicContact CB-CD2 4.4Å; L421-Y425 HydrophobicContact CD2-CD2 4.07Å; L421-Y425 HydrophobicContact CD2-CE2 3.71Å; L421-Y425 WeakPolarHBondContact O-CB 3.35Å; L421-Y425 VanDerWaalsContact O-CD2 3.3Å; L421-Y425 WeakPolarHBondContact O-CD2 3.45Å; L421-Y425 PolarHBondContact O-N 3.31Å; L421-L428 HydrophobicContact CB-CD1 3.8Å; L421-L428 HydrophobicContact CB-CD2 4.47Å |
| 422 | E | 98.5 | Very high | 98.3 | Very high | 100 Ų | 100 | 46 Ų | 46 | 47% | 0.467 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.5 | -40 | 178.9 | -174.8 | 168.7 | -151.8 | 0 | 0 | 111.3 | L418 L424 G426 L428 | L418-E422 WeakPolarHBondContact O-CB 3.37Å; L418-E422 PolarHBondContact O-N 2.85Å; E422-L424 VanDerWaalsContact C-N 3.28Å; E422-L424 PolarHBondContact O-N 2.79Å; E422-G426 WeakPolarHBondContact CA-O 3.4Å; E422-G426 VanDerWaalsContact O-CA 3.25Å; E422-G426 WeakPolarHBondContact O-CA 3.43Å; E422-G426 PolarHBondContact O-N 3.48Å; E422-L428 HydrophobicContact CB-CD1 3.96Å; E422-L428 HydrophobicContact CB-CG 4.17Å |
| 423 | A | 98.4 | Very high | 98.1 | Very high | 79 Ų | 79 | 46 Ų | 46 | 65% | 0.653 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.8 | -31.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D419 V420 | D419-A423 WeakPolarHBondContact O-CB 3.45Å; D419-A423 PolarHBondContact O-N 3.48Å; V420-A423 PolarHBondContact O-N 2.83Å |
| 424 | L | 98.2 | Very high | 97.8 | Very high | 48 Ų | 48 | 47.1 Ų | 47.1 | 25% | 0.251 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -87.8 | -38.5 | -179.5 | -69 | 176.1 | 0 | 0 | 0 | 113.1 | Q382 L385 K386 V420 L421 E422 | Q382-L424 HydrophobicContact CG-CD1 4.41Å; L385-L424 HydrophobicContact CB-CD1 3.62Å; L385-L424 HydrophobicContact CD1-CD1 4.45Å; K386-L424 HydrophobicContact CB-CD2 3.86Å; K386-L424 HydrophobicContact CG-CD2 4.19Å; V420-L424 HydrophobicContact CG1-CD1 3.92Å; V420-L424 VanDerWaalsContact O-CG 3.3Å; V420-L424 WeakPolarHBondContact O-CG 3.48Å; V420-L424 PolarHBondContact O-N 2.93Å; V420-L424 VanDerWaalsContact O-N 3.07Å; L421-L424 PolarHBondContact O-N 2.94Å; E422-L424 VanDerWaalsContact C-N 3.28Å; E422-L424 PolarHBondContact O-N 2.79Å |
| 425 | Y | 97.4 | Very high | 97.2 | Very high | 41 Ų | 41 | 52.4 Ų | 52.4 | 16% | 0.161 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -117.3 | -3.5 | -167.3 | -51.7 | -54 | 0 | 0 | 0 | 114.2 | L13 T390 P391 L421 | L13-Y425 HydrophobicContact CD2-CD2 3.47Å; L13-Y425 VanDerWaalsContact CD2-CD2 3.47Å; L13-Y425 HydrophobicContact CD2-CE2 4.19Å; L13-Y425 HydrophobicContact CD2-CG 3.8Å; T390-Y425 HydrophobicContact CG2-CD1 3.78Å; T390-Y425 HydrophobicContact CG2-CE1 4.19Å; T390-Y425 HydrophobicContact CG2-CG 4.28Å; P391-Y425 HydrophobicContact CG-CE2 4.35Å; L421-Y425 HydrophobicContact CB-CD2 4.4Å; L421-Y425 HydrophobicContact CD2-CD2 4.07Å; L421-Y425 HydrophobicContact CD2-CE2 3.71Å; L421-Y425 WeakPolarHBondContact O-CB 3.35Å; L421-Y425 VanDerWaalsContact O-CD2 3.3Å; L421-Y425 WeakPolarHBondContact O-CD2 3.45Å; L421-Y425 PolarHBondContact O-N 3.31Å |
| 426 | G | 97.1 | Very high | 95.7 | Very high | 34 Ų | 34 | 52.7 Ų | 52.7 | 35% | 0.351 | 29% | 0.286 | S | S | . | . | trans | 80.1 | -156.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E422 L428 | E422-G426 WeakPolarHBondContact CA-O 3.4Å; E422-G426 VanDerWaalsContact O-CA 3.25Å; E422-G426 WeakPolarHBondContact O-CA 3.43Å; E422-G426 PolarHBondContact O-N 3.48Å; G426-L428 WeakPolarHBondContact O-CD2 3.44Å; G426-L428 WeakPolarHBondContact O-CG 3.47Å; G426-L428 PolarHBondContact O-N 2.77Å | ||
| 427 | D | 97 | Very high | 93.5 | Very high | 96 Ų | 96 | 53.8 Ų | 53.8 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -57.9 | 120.8 | -175.5 | -170.8 | -9.1 | 0 | 0 | 0 | 111.7 | K12 | K12-D427 WeakPolarHBondContact CB-O 3.27Å; K12-D427 HydrophobicContact CD-CB 4.43Å; K12-D427 WeakPolarHBondContact CE-OD2 3.31Å; K12-D427 IonicContact NZ-OD1 3.93Å; K12-D427 PolarHBondContact NZ-OD1 2.75Å; K12-D427 IonicContact NZ-OD2 3.73Å; K12-D427 PolarHBondContact NZ-OD2 3.35Å |
| 428 | L | 98.3 | Very high | 90.9 | Very high | 17 Ų | 17 | 58.4 Ų | 58.4 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 148.7 | -173.7 | -56.3 | 178.5 | 0 | 0 | 0 | 111.7 | L13 V15 L418 L421 E422 G426 V430 | L13-L428 HydrophobicContact CB-CD2 4.09Å; L13-L428 HydrophobicContact CD2-CD2 4.18Å; L13-L428 HydrophobicContact CG-CD2 4.48Å; V15-L428 HydrophobicContact CG2-CB 4.35Å; V15-L428 HydrophobicContact CG2-CD1 4.16Å; V15-L428 HydrophobicContact CG2-CD2 4.4Å; L418-L428 HydrophobicContact CD2-CD1 4.38Å; L421-L428 HydrophobicContact CB-CD1 3.8Å; L421-L428 HydrophobicContact CB-CD2 4.47Å; E422-L428 HydrophobicContact CB-CD1 3.96Å; E422-L428 HydrophobicContact CB-CG 4.17Å; G426-L428 WeakPolarHBondContact O-CD2 3.44Å; G426-L428 WeakPolarHBondContact O-CG 3.47Å; G426-L428 PolarHBondContact O-N 2.77Å; L428-V430 HydrophobicContact CB-CG2 3.64Å; L428-V430 HydrophobicContact CD1-CG2 4.28Å |
| 429 | D | 98.4 | Very high | 88 | Confident | 67 Ų | 67 | 64.6 Ų | 64.6 | 36% | 0.358 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 84.8 | 168.1 | -177.2 | 34.4 | 0 | 0 | 0 | 109.4 | K12 L13 P14 V15 H431 | K12-D429 HydrophobicContact CB-CB 4Å; L13-D429 PolarHBondContact O-N 3.17Å; P14-D429 WeakPolarHBondContact CA-O 3.22Å; V15-D429 PolarHBondContact N-O 3.06Å; D429-H431 PolarHBondContact O-CD2 2.82Å; D429-H431 IonicContact OD1-CE1 2.92Å; D429-H431 IonicContact OD1-NE2 3.04Å; D429-H431 PolarHBondContact OD1-NE2 3.41Å; D429-H431 VanDerWaalsContact OD1-NE2 3.1Å; D429-H431 IonicContact OD2-CD2 3.12Å; D429-H431 IonicContact OD2-CE1 3.71Å; D429-H431 IonicContact OD2-NE2 3.54Å; D429-H431 PolarHBondContact OD2-NE2 2.97Å |
| 430 | V | 98.4 | Very high | 85.2 | Confident | 55 Ų | 55 | 65.6 Ų | 65.6 | 33% | 0.333 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 124.1 | -171.6 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | V15 I17 L418 L428 K432 | V15-V430 HydrophobicContact CB-CG2 4.38Å; I17-V430 HydrophobicContact CD1-CG1 3.87Å; L418-V430 HydrophobicContact CD2-CG1 4.28Å; L418-V430 HydrophobicContact CD2-CG2 4.18Å; L428-V430 HydrophobicContact CB-CG2 3.64Å; L428-V430 HydrophobicContact CD1-CG2 4.28Å; V430-K432 HydrophobicContact CG1-CG 4.36Å |
| 431 | H | 98.3 | Very high | 82.4 | Confident | 51 Ų | 51 | 68.4 Ų | 68.4 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.6 | 176.9 | -58.3 | -89.7 | 0 | 0 | 0 | 109.9 | V15 W16 I17 D429 | V15-H431 PolarHBondContact O-N 3.03Å; W16-H431 HydrophobicContact CD2-CB 3.9Å; W16-H431 AromaticContact CE2-CD2 3.62Å; W16-H431 HydrophobicContact CE3-CB 3.35Å; W16-H431 AromaticContact CE3-CG 3.71Å; W16-H431 HydrophobicContact CH2-CB 3.86Å; W16-H431 AromaticContact CH2-CD2 3.46Å; W16-H431 VanDerWaalsContact CH2-CD2 3.46Å; W16-H431 WeakPolarHBondContact CH2-CD2 3.42Å; W16-H431 AromaticContact CH2-CE1 3.59Å; W16-H431 AromaticContact CH2-CG 3.24Å; W16-H431 AromaticContact CH2-ND1 3.33Å; W16-H431 VanDerWaalsContact CH2-ND1 3.33Å; W16-H431 WeakPolarHBondContact CH2-ND1 3.47Å; W16-H431 AromaticContact CH2-NE2 3.65Å; W16-H431 HydrophobicContact CZ2-CB 4.35Å; W16-H431 AromaticContact CZ2-CD2 3.3Å; W16-H431 WeakPolarHBondContact CZ2-CD2 3.46Å; W16-H431 AromaticContact CZ2-CE1 3.92Å; W16-H431 AromaticContact CZ2-CG 3.62Å; W16-H431 AromaticContact CZ2-ND1 3.99Å; W16-H431 AromaticContact CZ2-NE2 3.5Å; W16-H431 HydrophobicContact CZ3-CB 3.35Å; W16-H431 AromaticContact CZ3-CD2 3.91Å; W16-H431 AromaticContact CZ3-CG 3.31Å; W16-H431 AromaticContact CZ3-ND1 3.64Å; I17-H431 PolarHBondContact N-O 2.79Å; D429-H431 PolarHBondContact O-CD2 2.82Å; D429-H431 IonicContact OD1-CE1 2.92Å; D429-H431 IonicContact OD1-NE2 3.04Å; D429-H431 PolarHBondContact OD1-NE2 3.41Å; D429-H431 VanDerWaalsContact OD1-NE2 3.1Å; D429-H431 IonicContact OD2-CD2 3.12Å; D429-H431 IonicContact OD2-CE1 3.71Å; D429-H431 IonicContact OD2-NE2 3.54Å; D429-H431 PolarHBondContact OD2-NE2 2.97Å |
| 432 | K | 97.5 | Very high | 79.4 | Confident | 75 Ų | 75 | 76.3 Ų | 76.3 | 33% | 0.326 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 75.6 | -174.7 | -68.7 | -173.7 | 176.7 | -173.4 | 0 | 109.9 | I17 V430 Y434 K435 | I17-K432 HydrophobicContact CD1-CG 4.17Å; V430-K432 HydrophobicContact CG1-CG 4.36Å; K432-Y434 VanDerWaalsContact C-N 3.27Å; K432-Y434 HydrophobicContact CB-CD1 4.04Å; K432-Y434 HydrophobicContact CB-CE1 3.57Å; K432-Y434 HydrophobicContact CD-CE1 4.07Å; K432-Y434 HydrophobicContact CG-CE1 3.77Å; K432-Y434 PolarHBondContact O-N 3.31Å; K432-K435 HydrophobicContact CB-CD 4.09Å; K432-K435 HydrophobicContact CB-CG 4.22Å; K432-K435 HydrophobicContact CD-CD 4.44Å; K432-K435 WeakPolarHBondContact O-CB 3.44Å; K432-K435 PolarHBondContact O-N 2.8Å; K432-K435 VanDerWaalsContact O-N 3.13Å |
| 433 | D | 94.6 | Very high | 76.5 | Confident | 55 Ų | 55 | 78.3 Ų | 78.3 | 29% | 0.294 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -24 | -169.2 | -75.3 | 20.4 | 0 | 0 | 0 | 112 | I17 H27 K435 S436 | I17-D433 PolarHBondContact O-N 3.12Å; H27-D433 IonicContact CE1-OD2 3.72Å; H27-D433 PolarHBondContact CE1-OD2 2.99Å; H27-D433 IonicContact NE2-OD2 3.46Å; H27-D433 PolarHBondContact NE2-OD2 2.93Å; D433-K435 PolarHBondContact O-N 3.03Å; D433-S436 WeakPolarHBondContact O-CB 3.45Å; D433-S436 PolarHBondContact O-N 2.89Å; D433-S436 PolarHBondContact O-OG 2.87Å |
| 434 | Y | 91.9 | Very high | 73.4 | Confident | 23 Ų | 23 | 79.9 Ų | 79.9 | 9% | 0.09 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.1 | -14.7 | 169.9 | 73 | -87.9 | 0 | 0 | 0 | 114.4 | I17 R398 Q414 K432 S437 | I17-Y434 HydrophobicContact CB-CD1 4.25Å; I17-Y434 HydrophobicContact CB-CE1 4.16Å; I17-Y434 HydrophobicContact CG2-CD1 3.84Å; I17-Y434 HydrophobicContact CG2-CE1 3.71Å; R398-Y434 PolarHBondContact NH1-OH 2.58Å; Q414-Y434 PolarHBondContact NE2-OH 2.92Å; Q414-Y434 PolarHBondContact OE1-OH 3.03Å; K432-Y434 VanDerWaalsContact C-N 3.27Å; K432-Y434 HydrophobicContact CB-CD1 4.04Å; K432-Y434 HydrophobicContact CB-CE1 3.57Å; K432-Y434 HydrophobicContact CD-CE1 4.07Å; K432-Y434 HydrophobicContact CG-CE1 3.77Å; K432-Y434 PolarHBondContact O-N 3.31Å; Y434-S437 PolarHBondContact O-OG 3.5Å; Y434-S437 VanDerWaalsContact O-OG 3.08Å |
| 435 | K | 86.1 | Confident | 70.3 | Confident | 114 Ų | 114 | 85.7 Ų | 85.7 | 50% | 0.496 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -83.8 | -21 | 174.5 | -66 | -173.1 | 174.9 | -173.7 | 0 | 113.2 | K432 D433 | K432-K435 HydrophobicContact CB-CD 4.09Å; K432-K435 HydrophobicContact CB-CG 4.22Å; K432-K435 HydrophobicContact CD-CD 4.44Å; K432-K435 WeakPolarHBondContact O-CB 3.44Å; K432-K435 PolarHBondContact O-N 2.8Å; K432-K435 VanDerWaalsContact O-N 3.13Å; D433-K435 PolarHBondContact O-N 3.03Å |
| 436 | S | 66.7 | Low | 67.3 | Low | 64 Ų | 64 | 89.1 Ų | 89.1 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.3 | -42.7 | 177.9 | -8.5 | 0 | 0 | 0 | 0 | 111.1 | D433 N438 K439 | D433-S436 WeakPolarHBondContact O-CB 3.45Å; D433-S436 PolarHBondContact O-N 2.89Å; D433-S436 PolarHBondContact O-OG 2.87Å; S436-N438 PolarHBondContact O-N 3.19Å; S436-K439 WeakPolarHBondContact O-CB 3.46Å; S436-K439 PolarHBondContact O-N 2.7Å |
| 437 | S | 52.5 | Low | 64.3 | Low | 70 Ų | 70 | 93.1 Ų | 93.1 | 49% | 0.49 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.7 | -28.8 | 177.1 | 24.7 | 0 | 0 | 0 | 0 | 112.8 | Y434 K439 | Y434-S437 PolarHBondContact O-OG 3.5Å; Y434-S437 VanDerWaalsContact O-OG 3.08Å; S437-K439 VanDerWaalsContact C-N 3.3Å; S437-K439 PolarHBondContact O-N 3.07Å |
| 438 | N | 45.3 | Very low | 61.5 | Low | 102 Ų | 102 | 95 Ų | 95 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.3 | -13 | 174.2 | -98.1 | -49.5 | 0 | 0 | 0 | 115.2 | S436 | S436-N438 PolarHBondContact O-N 3.19Å |
| 439 | K | 37.8 | Very low | 58.4 | Low | 151 Ų | 151 | 103.2 Ų | 103.2 | 66% | 0.657 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -85.3 | -39.8 | 176.5 | -71.5 | -176.8 | 178.1 | 176.9 | 0 | 111.7 | S436 S437 A441 K442 | S436-K439 WeakPolarHBondContact O-CB 3.46Å; S436-K439 PolarHBondContact O-N 2.7Å; S437-K439 VanDerWaalsContact C-N 3.3Å; S437-K439 PolarHBondContact O-N 3.07Å; K439-A441 VanDerWaalsContact C-N 3.27Å; K439-A441 PolarHBondContact O-N 3.33Å; K439-K442 PolarHBondContact O-N 3.24Å; K439-K442 VanDerWaalsContact O-N 3.12Å |
| 440 | D | 39.2 | Very low | 56.4 | Low | 123 Ų | 123 | 105.1 Ų | 105.1 | 66% | 0.658 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.2 | -27.4 | 179.6 | -62.4 | -34.3 | 0 | 0 | 0 | 112.1 | K442 | D440-K442 VanDerWaalsContact C-N 3.29Å; D440-K442 PolarHBondContact O-N 3.07Å |
| 441 | A | 40.5 | Very low | 54.2 | Low | 71 Ų | 71 | 107.7 Ų | 107.7 | 59% | 0.587 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -18.9 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | K439 | K439-A441 VanDerWaalsContact C-N 3.27Å; K439-A441 PolarHBondContact O-N 3.33Å |
| 442 | K | 36 | Very low | 51.7 | Low | 166 Ų | 166 | 110.8 Ų | 110.8 | 72% | 0.722 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -18.4 | -179.6 | -76.1 | -176.5 | 178.7 | 178.2 | 0 | 114.1 | K439 D440 | K439-K442 PolarHBondContact O-N 3.24Å; K439-K442 VanDerWaalsContact O-N 3.12Å; D440-K442 VanDerWaalsContact C-N 3.29Å; D440-K442 PolarHBondContact O-N 3.07Å |
| 443 | D | 37.1 | Very low | 49 | Very low | 143 Ų | 143 | 112.9 Ų | 112.9 | 77% | 0.765 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -90.1 | -2.3 | -179.9 | -76.9 | -18.7 | 0 | 0 | 0 | 113.5 | ||
| 444 | C | 34.3 | Very low | 46.2 | Very low | 111 Ų | 111 | 116.6 Ų | 116.6 | 75% | 0.75 | 67% | 0.67 | S | S | * | * | trans | -96.7 | 31.3 | 174.5 | -77.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 445 | Q | 31.2 | Very low | 43.2 | Very low | 170 Ų | 170 | 122.8 Ų | 122.8 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -88.1 | 121.8 | 161.6 | -74.9 | -159.3 | -19 | 0 | 0 | 109.8 | S447 | Q445-S447 PolarHBondContact O-N 2.88Å; Q445-S447 VanDerWaalsContact O-N 3.11Å |
| 446 | P | 35.4 | Very low | 40.1 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 74% | 0.74 | 72% | 0.724 | S | S | * | * | trans | -63.5 | 119.3 | 172.5 | 24.6 | -29.8 | 0 | 0 | 0 | 108.6 | T448 | P446-T448 PolarHBondContact O-N 3.25Š| ||
| 447 | S | 33.6 | Very low | 38 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -58.6 | 110.3 | 165.1 | 42.4 | 0 | 0 | 0 | 0 | 107.6 | Q445 S449 | Q445-S447 PolarHBondContact O-N 2.88Å; Q445-S447 VanDerWaalsContact O-N 3.11Å; S447-S449 PolarHBondContact O-N 3.02Å | ||
| 448 | T | 37.8 | Very low | 36.8 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | trans | -74.2 | 113.5 | 169.7 | 35.7 | 0 | 0 | 0 | 0 | 107.8 | P446 | P446-T448 PolarHBondContact O-N 3.25Š| ||
| 449 | S | 33.9 | Very low | 36.1 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 100% | 1.336 | 79% | 0.787 | S | S | * | * | trans | -146.8 | 0 | 159.3 | -68.5 | 0 | 0 | 0 | 0 | 108.7 | S447 | S447-S449 PolarHBondContact O-N 3.02Š|
Retrieved 449 of 449 residues in 1032.8 ms
(Link to these results)