| 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 | 33.2 | Very low | 67.6 | Low | 245 Ų | 245 | 98.3 Ų | 98.3 | 100% | 1.207 | 53% | 0.529 | S | S | * | . | 0 | 101.3 | 0 | -78.6 | -168.4 | -83 | 0 | 0 | 108.2 | |||||
| 2 | S | 35.4 | Very low | 69.9 | Low | 99 Ų | 99 | 90.7 Ų | 90.7 | 69% | 0.692 | 49% | 0.491 | S | S | * | . | trans | -171.4 | 51.2 | 156.2 | 63.5 | 0 | 0 | 0 | 0 | 110.2 | G4 | S2-G4 PolarHBondContact O-N 2.82Š| ||
| 3 | E | 31.9 | Very low | 72.1 | Confident | 207 Ų | 207 | 84.8 Ų | 84.8 | 97% | 0.967 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -75.9 | 107.2 | 147.9 | -77.5 | -179.2 | 155.6 | 0 | 0 | 105.1 | ||
| 4 | G | 43.1 | Very low | 74 | Confident | 77 Ų | 77 | 87.1 Ų | 87.1 | 79% | 0.794 | 46% | 0.46 | S | S | * | . | trans | 135.5 | -5.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | S2 Q6 | S2-G4 PolarHBondContact O-N 2.82Å; G4-Q6 PolarHBondContact O-N 3.37Å | ||
| 5 | T | 55.3 | Low | 75.6 | Confident | 67 Ų | 67 | 90.3 Ų | 90.3 | 41% | 0.411 | 47% | 0.468 | S | S | . | . | trans | -79.1 | 111.7 | 177.4 | -39.1 | 0 | 0 | 0 | 0 | 110.2 | L7 P138 | T5-L7 PolarHBondContact O-N 2.88Å; T5-L7 VanDerWaalsContact O-N 3.1Å; T5-P138 HydrophobicContact CG2-CB 4.33Å | ||
| 6 | Q | 69.6 | Low | 77 | Confident | 135 Ų | 135 | 87.3 Ų | 87.3 | 63% | 0.631 | 46% | 0.455 | S | S | * | . | trans | -62.6 | 109.5 | 173.1 | -174.5 | 177.8 | 3 | 0 | 0 | 109.7 | G4 R8 | G4-Q6 PolarHBondContact O-N 3.37Å; Q6-R8 WeakPolarHBondContact CG-O 3.36Å; Q6-R8 PolarHBondContact NE2-O 3.19Å | ||
| 7 | L | 89.6 | Confident | 78.3 | Confident | 88 Ų | 88 | 92.4 Ų | 92.4 | 46% | 0.461 | 48% | 0.477 | S | S | . | . | trans | -82.9 | -15 | -171.5 | -64.7 | 178.7 | 0 | 0 | 0 | 114.9 | T5 K149 | T5-L7 PolarHBondContact O-N 2.88Å; T5-L7 VanDerWaalsContact O-N 3.1Å; L7-K149 HydrophobicContact CB-CG 4.32Å | ||
| 8 | R | 95.1 | Very high | 79.4 | Confident | 37 Ų | 37 | 90.5 Ų | 90.5 | 14% | 0.14 | 47% | 0.471 | C | S | . | . | trans | -134.1 | 147.6 | 179.2 | -69.5 | -173.4 | -175.8 | -71.5 | 3 | 109.9 | Q6 E147 D148 K149 E635 | Q6-R8 WeakPolarHBondContact CG-O 3.36Å; Q6-R8 PolarHBondContact NE2-O 3.19Å; R8-E147 WeakPolarHBondContact CD-O 3.25Å; R8-E147 PolarHBondContact NH1-O 2.96Å; R8-D148 IonicContact CZ-OD1 3.47Å; R8-D148 VanDerWaalsContact NH1-C 3.29Å; R8-D148 IonicContact NH1-OD1 3.95Å; R8-D148 PolarHBondContact NH1-OD1 3.26Å; R8-K149 HydrophobicContact CG-CG 3.56Å; R8-E635 IonicContact CZ-OE1 3.42Å; R8-E635 IonicContact NE-OE1 3.78Å; R8-E635 PolarHBondContact NE-OE1 3.36Å; R8-E635 IonicContact NH2-OE1 3.39Å; R8-E635 PolarHBondContact NH2-OE1 3.29Å | ||
| 9 | R | 95.7 | Very high | 80.4 | Confident | 73 Ų | 73 | 88.2 Ų | 88.2 | 28% | 0.275 | 47% | 0.467 | S | S | . | . | trans | -115.2 | 98 | 170.1 | -175.3 | -177 | -65.4 | 135.7 | 7.6 | 109.3 | Y14 S134 Q136 L137 I146 | R9-Y14 HydrophobicContact CG-CD2 4.34Å; R9-Y14 HydrophobicContact CG-CE2 3.93Å; R9-S134 PolarHBondContact NH1-O 3.46Å; R9-Q136 VanDerWaalsContact CZ-O 3.32Å; R9-Q136 PolarHBondContact NH1-O 3.42Å; R9-Q136 PolarHBondContact NH2-O 3.29Å; R9-L137 HydrophobicContact CB-CD2 4.16Å; R9-I146 VanDerWaalsContact O-O 3.08Å | ||
| 10 | R | 97.5 | Very high | 81.3 | Confident | 47 Ų | 47 | 84.7 Ų | 84.7 | 18% | 0.177 | 45% | 0.449 | C | S | . | . | trans | -84.8 | 165.7 | 172.6 | -56.5 | -165.7 | -171.3 | -78.8 | 5.6 | 111.3 | Y14 E147 D633 E635 N692 | R10-Y14 VanDerWaalsContact O-CE2 3.32Å; R10-Y14 WeakPolarHBondContact O-CE2 3.33Å; R10-Y14 PolarHBondContact O-OH 3.49Å; R10-E147 IonicContact NH1-OE2 3.83Å; R10-E147 PolarHBondContact NH1-OE2 3.06Å; R10-D633 IonicContact CZ-OD1 3.23Å; R10-D633 IonicContact CZ-OD2 3.79Å; R10-D633 IonicContact NE-OD1 3.95Å; R10-D633 IonicContact NE-OD2 3.93Å; R10-D633 IonicContact NH2-OD2 3.75Å; R10-D633 PolarHBondContact NH2-OD2 3.07Å; R10-E635 IonicContact CZ-OE1 3.32Å; R10-E635 IonicContact CZ-OE2 2.68Å; R10-E635 VanDerWaalsContact CZ-OE2 3.24Å; R10-E635 IonicContact NH1-OE1 2.64Å; R10-E635 IonicContact NH1-OE2 2.89Å; R10-E635 PolarHBondContact NH1-OE2 2.85Å; R10-E635 IonicContact NH2-OE1 3.59Å; R10-E635 PolarHBondContact NH2-OE1 2.89Å; R10-E635 IonicContact NH2-OE2 3.31Å; R10-E635 PolarHBondContact NH2-OE2 3.16Å; R10-N692 WeakPolarHBondContact CB-OD1 3.46Å | ||
| 11 | G | 97.1 | Very high | 82 | Confident | 6 Ų | 6 | 84.3 Ų | 84.3 | 6% | 0.062 | 45% | 0.447 | C | S | . | . | S | Bend | trans | 85 | 5.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y14 E147 E691 | G11-Y14 WeakPolarHBondContact CA-OH 3.49Å; G11-E147 PolarHBondContact N-OE1 3.44Å; G11-E691 WeakPolarHBondContact CA-O 3.43Å |
| 12 | G | 95.7 | Very high | 85.1 | Confident | 7 Ų | 7 | 73.1 Ų | 73.1 | 7% | 0.072 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 171.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 13 | P | 98.3 | Very high | 88 | Confident | 14 Ų | 14 | 71 Ų | 71 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | cis | -72.8 | 143 | 0.2 | 30 | -34.8 | 0 | 0 | 0 | 112.7 | L374 D375 | P13-L374 HydrophobicContact CB-CB 4.4Å; P13-L374 HydrophobicContact CG-CD1 4.38Å; P13-D375 VanDerWaalsContact CB-OD2 3.32Å; P13-D375 WeakPolarHBondContact CB-OD2 3.33Å |
| 14 | Y | 98.4 | Very high | 91.1 | Very high | 117 Ų | 117 | 62.9 Ų | 62.9 | 46% | 0.459 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -103.5 | 147.7 | 176.8 | -69.8 | -70.3 | 0 | 0 | 0 | 110.8 | R9 R10 G11 T16 L374 D375 | R9-Y14 HydrophobicContact CG-CD2 4.34Å; R9-Y14 HydrophobicContact CG-CE2 3.93Å; R10-Y14 VanDerWaalsContact O-CE2 3.32Å; R10-Y14 WeakPolarHBondContact O-CE2 3.33Å; R10-Y14 PolarHBondContact O-OH 3.49Å; G11-Y14 WeakPolarHBondContact CA-OH 3.49Å; Y14-T16 PolarHBondContact O-N 3.4Å; Y14-L374 CarbonylContact O-C 3.58Å; Y14-D375 WeakPolarHBondContact O-CB 3.31Å |
| 15 | K | 98.5 | Very high | 93.7 | Very high | 135 Ų | 135 | 59.2 Ų | 59.2 | 59% | 0.587 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 123.3 | 172.1 | -170.5 | 177.5 | 176.2 | 175.9 | 0 | 109.7 | G58 L374 | K15-G58 WeakPolarHBondContact CE-O 3.45Å; K15-G58 PolarHBondContact NZ-O 2.89Å; K15-L374 WeakPolarHBondContact CA-O 3.36Å |
| 16 | T | 98.5 | Very high | 95.8 | Very high | 42 Ų | 42 | 57 Ų | 57 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | trans | -118.6 | 172.5 | 173.2 | 61.8 | 0 | 0 | 0 | 0 | 111.2 | Y14 R130 S134 L374 | Y14-T16 PolarHBondContact O-N 3.4Å; T16-R130 PolarHBondContact O-NH2 2.92Å; T16-R130 PolarHBondContact OG1-NE 3.48Å; T16-R130 VanDerWaalsContact OG1-NE 3.16Å; T16-R130 PolarHBondContact OG1-NH2 3.43Å; T16-S134 WeakPolarHBondContact CB-OG 3.35Å; T16-S134 WeakPolarHBondContact CG2-OG 3.44Å; T16-S134 PolarHBondContact OG1-OG 3.34Å; T16-L374 PolarHBondContact N-O 3.47Å | ||
| 17 | E | 98.4 | Very high | 97.2 | Very high | 175 Ų | 175 | 50.7 Ų | 50.7 | 82% | 0.818 | 25% | 0.254 | S | S | * | . | trans | -65.8 | 128 | 176.1 | -171.9 | 174.8 | -178.5 | 0 | 0 | 110.9 | R130 | E17-R130 WeakPolarHBondContact O-CD 3.49Å; E17-R130 PolarHBondContact O-NE 3.16Å | ||
| 18 | P | 98.3 | Very high | 97.6 | Very high | 58 Ų | 58 | 54.5 Ų | 54.5 | 38% | 0.377 | 26% | 0.263 | S | S | . | . | trans | -76.4 | 150.2 | -178.1 | 32.8 | -36 | 0 | 0 | 0 | 113.6 | T20 L22 R130 | P18-T20 WeakPolarHBondContact CB-O 3.46Å; P18-L22 HydrophobicContact CB-CD1 3.81Å; P18-L22 HydrophobicContact CB-CD2 3.75Å; P18-L22 HydrophobicContact CB-CG 3.57Å; P18-L22 HydrophobicContact CG-CD1 4.03Å; P18-L22 HydrophobicContact CG-CG 4Å; P18-R130 VanDerWaalsContact CA-CZ 3.41Å | ||
| 19 | A | 98 | Very high | 97.7 | Very high | 47 Ų | 47 | 53.2 Ų | 53.2 | 39% | 0.388 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -95.4 | -4.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K126 E127 R130 | A19-K126 HydrophobicContact CB-CB 4Å; A19-E127 PolarHBondContact N-OE1 3.13Å; A19-R130 HydrophobicContact CB-CB 4.08Å |
| 20 | T | 98.1 | Very high | 97.8 | Very high | 18 Ų | 18 | 51.9 Ų | 51.9 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -141.1 | 166.4 | 179.8 | 58.9 | 0 | 0 | 0 | 0 | 110.1 | P18 L22 W25 A123 K126 E127 | P18-T20 WeakPolarHBondContact CB-O 3.46Å; T20-L22 PolarHBondContact O-N 3.32Å; T20-L22 VanDerWaalsContact O-N 3.1Å; T20-W25 PolarHBondContact OG1-NE1 3.21Å; T20-A123 HydrophobicContact CG2-CB 4.06Å; T20-K126 HydrophobicContact CG2-CB 4.07Å; T20-K126 HydrophobicContact CG2-CD 4.15Å; T20-E127 WeakPolarHBondContact CB-OE1 3.48Å; T20-E127 HydrophobicContact CG2-CG 4.09Å; T20-E127 PolarHBondContact N-OE1 2.91Å; T20-E127 PolarHBondContact OG1-OE1 3.3Å |
| 21 | D | 97.4 | Very high | 97.9 | Very high | 77 Ų | 77 | 54.1 Ų | 54.1 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | trans | -72.7 | 104 | 172.3 | -177.8 | -6.5 | 0 | 0 | 0 | 110.3 | S23 R24 | D21-S23 PolarHBondContact O-N 3.12Å; D21-S23 VanDerWaalsContact O-N 3.11Å; D21-S23 VanDerWaalsContact OD1-CB 3.28Å; D21-S23 WeakPolarHBondContact OD1-CB 3.49Å; D21-S23 PolarHBondContact OD1-N 3.25Å; D21-S23 PolarHBondContact OD1-OG 3.27Å; D21-S23 PolarHBondContact OD2-OG 2.95Å; D21-S23 VanDerWaalsContact OD2-OG 3.14Å; D21-R24 HydrophobicContact CB-CG 3.93Å; D21-R24 WeakPolarHBondContact O-CB 3.34Å; D21-R24 PolarHBondContact O-N 3.15Å; D21-R24 WeakPolarHBondContact OD2-CG 3.46Å | ||
| 22 | L | 98.2 | Very high | 97.9 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -58.1 | -24.8 | 180 | -63 | -175.1 | 0 | 0 | 0 | 113.2 | P18 T20 R24 W25 Q49 L57 L59 | P18-L22 HydrophobicContact CB-CD1 3.81Å; P18-L22 HydrophobicContact CB-CD2 3.75Å; P18-L22 HydrophobicContact CB-CG 3.57Å; P18-L22 HydrophobicContact CG-CD1 4.03Å; P18-L22 HydrophobicContact CG-CG 4Å; T20-L22 PolarHBondContact O-N 3.32Å; T20-L22 VanDerWaalsContact O-N 3.1Å; L22-R24 PolarHBondContact O-N 2.83Å; L22-W25 PolarHBondContact O-N 3.04Å; L22-Q49 PolarHBondContact O-NE2 2.68Å; L22-L57 HydrophobicContact CB-CD1 4.48Å; L22-L57 HydrophobicContact CD1-CB 4.48Å; L22-L57 VanDerWaalsContact O-CD1 3.3Å; L22-L57 WeakPolarHBondContact O-CD1 3.29Å; L22-L59 HydrophobicContact CB-CD1 4.09Å; L22-L59 HydrophobicContact CB-CD2 3.97Å; L22-L59 HydrophobicContact CB-CG 4.24Å; L22-L59 HydrophobicContact CD1-CD2 4.24Å |
| 23 | S | 95.7 | Very high | 98.1 | Very high | 54 Ų | 54 | 57.3 Ų | 57.3 | 38% | 0.378 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -70.9 | -13.6 | 179 | 77.5 | 0 | 0 | 0 | 0 | 113.4 | D21 R26 | D21-S23 PolarHBondContact O-N 3.12Å; D21-S23 VanDerWaalsContact O-N 3.11Å; D21-S23 VanDerWaalsContact OD1-CB 3.28Å; D21-S23 WeakPolarHBondContact OD1-CB 3.49Å; D21-S23 PolarHBondContact OD1-N 3.25Å; D21-S23 PolarHBondContact OD1-OG 3.27Å; D21-S23 PolarHBondContact OD2-OG 2.95Å; D21-S23 VanDerWaalsContact OD2-OG 3.14Å; S23-R26 PolarHBondContact O-NH1 2.7Å; S23-R26 PolarHBondContact O-NH2 3.43Å |
| 24 | R | 97.2 | Very high | 98.1 | Very high | 37 Ų | 37 | 57 Ų | 57 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -98.2 | -6.6 | -177.9 | -55.5 | -172 | 70.4 | 93.8 | 16.1 | 114.1 | D21 L22 Y38 V39 D40 D41 E43 | D21-R24 HydrophobicContact CB-CG 3.93Å; D21-R24 WeakPolarHBondContact O-CB 3.34Å; D21-R24 PolarHBondContact O-N 3.15Å; D21-R24 WeakPolarHBondContact OD2-CG 3.46Å; L22-R24 PolarHBondContact O-N 2.83Å; R24-Y38 HydrophobicContact CB-CD2 4.18Å; R24-Y38 HydrophobicContact CB-CE2 3.72Å; R24-V39 HydrophobicContact CB-CB 4.5Å; R24-V39 PolarHBondContact NE-O 3.33Å; R24-V39 PolarHBondContact NH2-O 3.33Å; R24-V39 WeakPolarHBondContact O-CG2 3.46Å; R24-V39 PolarHBondContact O-N 2.76Å; R24-D40 PolarHBondContact NH2-O 3.44Å; R24-D41 WeakPolarHBondContact CD-OD1 3.4Å; R24-D41 VanDerWaalsContact CZ-CA 3.48Å; R24-D41 IonicContact NE-OD1 3.57Å; R24-D41 PolarHBondContact NH1-O 3.01Å; R24-E43 PolarHBondContact NH2-O 3.31Å |
| 25 | W | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 139.3 | 175.4 | -75.2 | 91.8 | 0 | 0 | 0 | 111.9 | T20 L22 W36 S37 Y38 Q49 L57 A123 W124 E127 L372 M377 | T20-W25 PolarHBondContact OG1-NE1 3.21Å; L22-W25 PolarHBondContact O-N 3.04Å; W25-W36 HydrophobicContact CB-CE3 4.01Å; W25-W36 HydrophobicContact CB-CZ3 3.99Å; W25-W36 HydrophobicContact CE3-CB 4.07Å; W25-W36 HydrophobicContact CE3-CE3 4.34Å; W25-W36 HydrophobicContact CZ3-CB 4.06Å; W25-S37 WeakPolarHBondContact CA-O 3.48Å; W25-Y38 AromaticContact CD1-CD2 3.61Å; W25-Y38 AromaticContact CD1-CE2 3.95Å; W25-Y38 AromaticContact CD2-CD2 3.83Å; W25-Y38 HydrophobicContact CD2-CD2 3.83Å; W25-Y38 AromaticContact CE2-CD2 3.48Å; W25-Y38 VanDerWaalsContact CE2-CD2 3.48Å; W25-Y38 AromaticContact CG-CD2 3.97Å; W25-Y38 HydrophobicContact CG-CD2 3.97Å; W25-Y38 HydrophobicContact CZ2-CD2 4.07Å; W25-Y38 HydrophobicContact CZ2-CG 4.45Å; W25-Y38 AromaticContact NE1-CD2 3.33Å; W25-Y38 VanDerWaalsContact NE1-CD2 3.33Å; W25-Y38 AromaticContact NE1-CE2 3.71Å; W25-Q49 PolarHBondContact O-NE2 2.85Å; W25-L57 HydrophobicContact CB-CD1 3.99Å; W25-A123 HydrophobicContact CH2-CB 4.22Å; W25-A123 HydrophobicContact CZ2-CB 3.85Å; W25-W124 AromaticContact CH2-CD1 3.29Å; W25-W124 HydrophobicContact CH2-CG 4.2Å; W25-W124 AromaticContact CH2-NE1 3.68Å; W25-W124 AromaticContact CZ3-CD1 3.7Å; W25-W124 AromaticContact CZ3-NE1 3.55Å; W25-E127 HydrophobicContact CZ2-CB 4.45Å; W25-E127 HydrophobicContact CZ2-CG 3.71Å; W25-L372 HydrophobicContact CB-CD2 3.95Å; W25-L372 HydrophobicContact CD2-CD2 3.21Å; W25-L372 HydrophobicContact CE3-CD2 3.73Å; W25-L372 HydrophobicContact CG-CD2 3.32Å; W25-L372 HydrophobicContact CH2-CD2 4.37Å; W25-L372 HydrophobicContact CZ2-CD2 4Å; W25-L372 HydrophobicContact CZ3-CD2 4.27Å; W25-M377 HydrophobicContact CH2-CE 3.45Å; W25-M377 VanDerWaalsContact CH2-CE 3.45Å; W25-M377 HydrophobicContact CZ3-CE 3.58Å |
| 26 | R | 98.1 | Very high | 98.1 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 133.6 | 177 | -62.4 | -67.4 | 177.3 | -81.5 | 1.1 | 110.5 | S23 W36 S37 V39 P45 R47 E53 | S23-R26 PolarHBondContact O-NH1 2.7Å; S23-R26 PolarHBondContact O-NH2 3.43Å; R26-W36 CarbonylContact O-C 3.55Å; R26-W36 WeakPolarHBondContact O-CA 3.36Å; R26-S37 PolarHBondContact N-O 2.88Å; R26-S37 PolarHBondContact O-N 2.67Å; R26-V39 HydrophobicContact CG-CG2 4.19Å; R26-P45 VanDerWaalsContact NH2-CB 3.27Å; R26-R47 PolarHBondContact NE-O 2.93Å; R26-R47 PolarHBondContact NH2-O 3.48Å; R26-E53 WeakPolarHBondContact CA-OE1 3.47Å; R26-E53 WeakPolarHBondContact CD-OE1 3.28Å |
| 27 | L | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.7 | 168.5 | 178.1 | 61.9 | 0 | 0 | 0 | 108.2 | Q34 W36 R47 L52 E53 A96 W371 | L27-Q34 HydrophobicContact CD1-CB 4.14Å; L27-W36 HydrophobicContact CB-CD2 4.2Å; L27-W36 HydrophobicContact CB-CE3 4.11Å; L27-W36 HydrophobicContact CB-CH2 3.95Å; L27-W36 HydrophobicContact CB-CZ2 4.01Å; L27-W36 HydrophobicContact CB-CZ3 3.98Å; L27-W36 HydrophobicContact CD1-CD2 4.28Å; L27-W36 HydrophobicContact CD1-CG 4.4Å; L27-W36 HydrophobicContact CD1-CZ2 4.42Å; L27-W36 HydrophobicContact CD2-CZ2 4.29Å; L27-W36 HydrophobicContact CG-CZ2 4.47Å; L27-R47 PolarHBondContact O-NH2 2.79Å; L27-L52 HydrophobicContact CD2-CD2 3.88Å; L27-L52 HydrophobicContact CD2-CG 4.15Å; L27-E53 HydrophobicContact CB-CG 3.88Å; L27-E53 PolarHBondContact N-OE1 3.26Å; L27-A96 HydrophobicContact CD2-CB 4.11Å; L27-W371 HydrophobicContact CD1-CZ3 4.09Å; L27-W371 HydrophobicContact CD2-CH2 3.94Å; L27-W371 HydrophobicContact CD2-CZ3 4.05Å |
| 28 | R | 97.9 | Very high | 98 | Very high | 169 Ų | 169 | 41.6 Ų | 41.6 | 64% | 0.638 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.1 | 170.8 | -178.8 | 179.4 | 177.3 | -178.7 | -0.3 | 109.3 | T35 | R28-T35 PolarHBondContact N-O 2.81Å; R28-T35 PolarHBondContact O-N 3.2Å; R28-T35 VanDerWaalsContact O-N 3.07Å |
| 29 | N | 98.3 | Very high | 97.9 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.053 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.8 | 173.5 | -57.2 | -68.4 | 0 | 0 | 0 | 110.4 | R33 Q34 A90 E91 H94 | N29-R33 VanDerWaalsContact CA-O 3.3Å; N29-R33 WeakPolarHBondContact CA-O 3.31Å; N29-Q34 WeakPolarHBondContact OD1-CG 3.44Å; N29-A90 HydrophobicContact CB-CB 3.94Å; N29-E91 HydrophobicContact CB-CG 4.49Å; N29-E91 PolarHBondContact N-OE1 2.85Å; N29-E91 VanDerWaalsContact N-OE1 3.13Å; N29-E91 PolarHBondContact ND2-OE2 3.13Å; N29-H94 PolarHBondContact OD1-CE1 3.46Å |
| 30 | A | 98.1 | Very high | 97.5 | Very high | 45 Ų | 45 | 41.3 Ų | 41.3 | 37% | 0.372 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 112.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G32 R33 D92 | A30-G32 PolarHBondContact O-N 3.48Å; A30-R33 PolarHBondContact N-O 3.44Å; A30-R33 VanDerWaalsContact N-O 3.09Å; A30-R33 VanDerWaalsContact O-CB 3.26Å; A30-R33 WeakPolarHBondContact O-CB 3.28Å; A30-R33 PolarHBondContact O-N 2.86Å; A30-D92 WeakPolarHBondContact CA-OD2 3.41Å; A30-D92 PolarHBondContact N-OD2 3.06Å |
| 31 | E | 98.1 | Very high | 96.7 | Very high | 93 Ų | 93 | 45.4 Ų | 45.4 | 44% | 0.435 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 39 | -174.8 | -54 | -172 | 145.6 | 0 | 0 | 112.1 | R33 D92 V421 R448 | E31-R33 VanDerWaalsContact C-N 3.3Å; E31-R33 PolarHBondContact O-N 3.07Å; E31-D92 PolarHBondContact N-OD2 3.47Å; E31-V421 HydrophobicContact CB-CG1 4.01Å; E31-V421 HydrophobicContact CG-CG1 3.93Å; E31-R448 IonicContact OE1-CZ 3.12Å; E31-R448 IonicContact OE1-NH2 3.31Å; E31-R448 PolarHBondContact OE1-NH2 2.93Å; E31-R448 IonicContact OE2-CZ 3.2Å; E31-R448 IonicContact OE2-NH2 2.68Å; E31-R448 PolarHBondContact OE2-NH2 3.12Å |
| 32 | G | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -15.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A30 Q34 D92 Q386 | A30-G32 PolarHBondContact O-N 3.48Å; G32-Q34 PolarHBondContact O-N 3.4Å; G32-D92 PolarHBondContact N-OD2 2.83Å; G32-Q386 WeakPolarHBondContact O-CG 3.46Å; G32-Q386 PolarHBondContact O-NE2 3.42Å |
| 33 | R | 98.8 | Very high | 95.6 | Very high | 81 Ų | 81 | 56 Ų | 56 | 31% | 0.306 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 120.5 | 177.5 | -173.9 | -174.5 | -175.2 | -168.8 | -1.4 | 109.8 | N29 A30 E31 T35 S364 D368 | N29-R33 VanDerWaalsContact CA-O 3.3Å; N29-R33 WeakPolarHBondContact CA-O 3.31Å; A30-R33 PolarHBondContact N-O 3.44Å; A30-R33 VanDerWaalsContact N-O 3.09Å; A30-R33 VanDerWaalsContact O-CB 3.26Å; A30-R33 WeakPolarHBondContact O-CB 3.28Å; A30-R33 PolarHBondContact O-N 2.86Å; E31-R33 VanDerWaalsContact C-N 3.3Å; E31-R33 PolarHBondContact O-N 3.07Å; R33-T35 HydrophobicContact CG-CG2 4.31Å; R33-S364 PolarHBondContact NH2-O 2.92Å; R33-D368 WeakPolarHBondContact CD-OD2 3.22Å; R33-D368 WeakPolarHBondContact CG-OD2 3.42Å; R33-D368 IonicContact CZ-OD1 2.64Å; R33-D368 VanDerWaalsContact CZ-OD1 3.29Å; R33-D368 IonicContact CZ-OD2 2.7Å; R33-D368 IonicContact NE-OD1 2.64Å; R33-D368 PolarHBondContact NE-OD1 3.22Å; R33-D368 IonicContact NE-OD2 3.99Å; R33-D368 PolarHBondContact NE-OD2 2.85Å; R33-D368 IonicContact NH2-OD1 2.96Å; R33-D368 PolarHBondContact NH2-OD1 3.13Å; R33-D368 IonicContact NH2-OD2 3.67Å |
| 34 | Q | 98.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 59.7 Ų | 59.7 | 3% | 0.033 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 123.6 | 179.7 | -68.9 | 162 | 7.8 | 0 | 0 | 109.7 | L27 N29 G32 H94 A96 Q386 | L27-Q34 HydrophobicContact CD1-CB 4.14Å; N29-Q34 WeakPolarHBondContact OD1-CG 3.44Å; G32-Q34 PolarHBondContact O-N 3.4Å; Q34-H94 PolarHBondContact NE2-NE2 2.57Å; Q34-A96 HydrophobicContact CG-CB 4.19Å; Q34-A96 VanDerWaalsContact NE2-CA 3.31Å; Q34-A96 VanDerWaalsContact NE2-CB 3.31Å; Q34-Q386 VanDerWaalsContact NE2-CG 3.3Å |
| 35 | T | 98.8 | Very high | 94.8 | Very high | 28 Ų | 28 | 59.9 Ų | 59.9 | 17% | 0.172 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 134.6 | 172 | 61 | 0 | 0 | 0 | 0 | 111.5 | R28 R33 P367 | R28-T35 PolarHBondContact N-O 2.81Å; R28-T35 PolarHBondContact O-N 3.2Å; R28-T35 VanDerWaalsContact O-N 3.07Å; R33-T35 HydrophobicContact CG-CG2 4.31Å; T35-P367 HydrophobicContact CG2-CB 3.68Å |
| 36 | W | 98.6 | Very high | 94.3 | Very high | 5 Ų | 5 | 65.9 Ų | 65.9 | 2% | 0.019 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 137.1 | 174.7 | -75.3 | 94.5 | 0 | 0 | 0 | 110.8 | W25 R26 L27 E53 L57 W124 W371 L372 | W25-W36 HydrophobicContact CB-CE3 4.01Å; W25-W36 HydrophobicContact CB-CZ3 3.99Å; W25-W36 HydrophobicContact CE3-CB 4.07Å; W25-W36 HydrophobicContact CE3-CE3 4.34Å; W25-W36 HydrophobicContact CZ3-CB 4.06Å; R26-W36 CarbonylContact O-C 3.55Å; R26-W36 WeakPolarHBondContact O-CA 3.36Å; L27-W36 HydrophobicContact CB-CD2 4.2Å; L27-W36 HydrophobicContact CB-CE3 4.11Å; L27-W36 HydrophobicContact CB-CH2 3.95Å; L27-W36 HydrophobicContact CB-CZ2 4.01Å; L27-W36 HydrophobicContact CB-CZ3 3.98Å; L27-W36 HydrophobicContact CD1-CD2 4.28Å; L27-W36 HydrophobicContact CD1-CG 4.4Å; L27-W36 HydrophobicContact CD1-CZ2 4.42Å; L27-W36 HydrophobicContact CD2-CZ2 4.29Å; L27-W36 HydrophobicContact CG-CZ2 4.47Å; W36-E53 HydrophobicContact CH2-CB 4.4Å; W36-E53 HydrophobicContact CH2-CG 4.29Å; W36-E53 HydrophobicContact CZ3-CG 4.34Å; W36-L57 HydrophobicContact CH2-CD1 4.15Å; W36-L57 HydrophobicContact CH2-CD2 3.82Å; W36-L57 HydrophobicContact CH2-CG 3.87Å; W36-L57 HydrophobicContact CZ2-CD2 4.41Å; W36-L57 HydrophobicContact CZ3-CD1 3.99Å; W36-L57 HydrophobicContact CZ3-CD2 4Å; W36-L57 HydrophobicContact CZ3-CG 4.16Å; W36-W124 WeakPolarHBondContact O-CZ2 3.48Å; W36-W371 HydrophobicContact CZ2-CH2 4.18Å; W36-W371 HydrophobicContact CZ2-CZ2 4.17Å; W36-W371 HydrophobicContact CZ2-CZ3 4.49Å; W36-W371 AromaticContact NE1-CD2 3.53Å; W36-W371 AromaticContact NE1-CE3 3.29Å; W36-W371 VanDerWaalsContact NE1-CE3 3.29Å; W36-W371 AromaticContact NE1-CZ3 3.6Å; W36-L372 HydrophobicContact CD2-CB 3.93Å; W36-L372 HydrophobicContact CE3-CB 4.39Å; W36-L372 HydrophobicContact CG-CB 4.07Å |
| 37 | S | 96.9 | Very high | 94.2 | Very high | 59 Ų | 59 | 69.1 Ų | 69.1 | 41% | 0.413 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 147.7 | 169.8 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | W25 R26 | W25-S37 WeakPolarHBondContact CA-O 3.48Å; R26-S37 PolarHBondContact N-O 2.88Å; R26-S37 PolarHBondContact O-N 2.67Å |
| 38 | Y | 97.6 | Very high | 94 | Very high | 53 Ų | 53 | 76.7 Ų | 76.7 | 21% | 0.208 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.8 | 172.8 | -173.4 | -104.4 | 0 | 0 | 0 | 108.7 | R24 W25 D41 A123 | R24-Y38 HydrophobicContact CB-CD2 4.18Å; R24-Y38 HydrophobicContact CB-CE2 3.72Å; W25-Y38 AromaticContact CD1-CD2 3.61Å; W25-Y38 AromaticContact CD1-CE2 3.95Å; W25-Y38 AromaticContact CD2-CD2 3.83Å; W25-Y38 HydrophobicContact CD2-CD2 3.83Å; W25-Y38 AromaticContact CE2-CD2 3.48Å; W25-Y38 VanDerWaalsContact CE2-CD2 3.48Å; W25-Y38 AromaticContact CG-CD2 3.97Å; W25-Y38 HydrophobicContact CG-CD2 3.97Å; W25-Y38 HydrophobicContact CZ2-CD2 4.07Å; W25-Y38 HydrophobicContact CZ2-CG 4.45Å; W25-Y38 AromaticContact NE1-CD2 3.33Å; W25-Y38 VanDerWaalsContact NE1-CD2 3.33Å; W25-Y38 AromaticContact NE1-CE2 3.71Å; Y38-D41 PolarHBondContact OH-OD1 3.05Å; Y38-A123 HydrophobicContact CD1-CB 3.7Å; Y38-A123 HydrophobicContact CD2-CB 4.08Å; Y38-A123 HydrophobicContact CE1-CB 4.35Å; Y38-A123 HydrophobicContact CG-CB 3.53Å |
| 39 | V | 94.8 | Very high | 93.9 | Very high | 16 Ų | 16 | 69.3 Ų | 69.3 | 10% | 0.097 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 117.9 | 171.4 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | R24 R26 E43 P45 | R24-V39 HydrophobicContact CB-CB 4.5Å; R24-V39 PolarHBondContact NE-O 3.33Å; R24-V39 PolarHBondContact NH2-O 3.33Å; R24-V39 WeakPolarHBondContact O-CG2 3.46Å; R24-V39 PolarHBondContact O-N 2.76Å; R26-V39 HydrophobicContact CG-CG2 4.19Å; V39-E43 HydrophobicContact CG1-CB 3.87Å; V39-P45 HydrophobicContact CB-CG 4.47Å; V39-P45 HydrophobicContact CG1-CB 4.45Å; V39-P45 HydrophobicContact CG1-CG 4.16Å; V39-P45 HydrophobicContact CG2-CB 4.33Å |
| 40 | D | 90 | Very high | 93.9 | Very high | 83 Ų | 83 | 71.4 Ų | 71.4 | 44% | 0.444 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 143.1 | -177.6 | -171.4 | -77 | 0 | 0 | 0 | 111.5 | R24 Q42 E43 | R24-D40 PolarHBondContact NH2-O 3.44Å; D40-Q42 PolarHBondContact O-N 3.35Å; D40-Q42 PolarHBondContact OD1-N 2.94Å; D40-E43 HydrophobicContact CB-CG 4.23Å; D40-E43 PolarHBondContact O-N 3.05Å |
| 41 | D | 81.1 | Confident | 93.9 | Very high | 105 Ų | 105 | 69.8 Ų | 69.8 | 56% | 0.561 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -27.4 | -174.3 | -63.9 | -16.5 | 0 | 0 | 0 | 113.7 | R24 Y38 | R24-D41 WeakPolarHBondContact CD-OD1 3.4Å; R24-D41 VanDerWaalsContact CZ-CA 3.48Å; R24-D41 IonicContact NE-OD1 3.57Å; R24-D41 PolarHBondContact NH1-O 3.01Å; Y38-D41 PolarHBondContact OH-OD1 3.05Å |
| 42 | Q | 85 | Confident | 93.9 | Very high | 185 Ų | 185 | 65.8 Ų | 65.8 | 86% | 0.864 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -15.3 | 178.7 | -57.5 | -176.5 | 13.2 | 0 | 0 | 114 | D40 | D40-Q42 PolarHBondContact O-N 3.35Å; D40-Q42 PolarHBondContact OD1-N 2.94Å |
| 43 | E | 88.6 | Confident | 93.9 | Very high | 123 Ų | 123 | 65.8 Ų | 65.8 | 58% | 0.575 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -92.7 | 157.3 | -179 | -65.3 | -175 | 165.4 | 0 | 0 | 111.9 | R24 V39 D40 | R24-E43 PolarHBondContact NH2-O 3.31Å; V39-E43 HydrophobicContact CG1-CB 3.87Å; D40-E43 HydrophobicContact CB-CG 4.23Å; D40-E43 PolarHBondContact O-N 3.05Å |
| 44 | T | 85.9 | Confident | 93.9 | Very high | 131 Ų | 131 | 62 Ų | 62 | 80% | 0.804 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -95.4 | 129.2 | 170 | -57.1 | 0 | 0 | 0 | 0 | 108.8 | S46 | T44-S46 PolarHBondContact O-N 2.97Š|
| 45 | P | 89.3 | Confident | 93.9 | Very high | 42 Ų | 42 | 63.2 Ų | 63.2 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 132.5 | 176.3 | -24.1 | 32.9 | 0 | 0 | 0 | 112 | R26 V39 R47 | R26-P45 VanDerWaalsContact NH2-CB 3.27Å; V39-P45 HydrophobicContact CB-CG 4.47Å; V39-P45 HydrophobicContact CG1-CB 4.45Å; V39-P45 HydrophobicContact CG1-CG 4.16Å; V39-P45 HydrophobicContact CG2-CB 4.33Å; P45-R47 PolarHBondContact O-N 2.87Å |
| 46 | S | 88.5 | Confident | 93.9 | Very high | 125 Ų | 125 | 62.5 Ų | 62.5 | 87% | 0.874 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -67 | -19.8 | -178.6 | 58.8 | 0 | 0 | 0 | 0 | 114 | T44 | T44-S46 PolarHBondContact O-N 2.97Š|
| 47 | R | 95.1 | Very high | 93.9 | Very high | 90 Ų | 90 | 62.2 Ų | 62.2 | 34% | 0.34 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -147.6 | 159 | 172.8 | 63.4 | 168.6 | -179.4 | 73.2 | -3.5 | 111.8 | R26 L27 P45 E53 | R26-R47 PolarHBondContact NE-O 2.93Å; R26-R47 PolarHBondContact NH2-O 3.48Å; L27-R47 PolarHBondContact O-NH2 2.79Å; P45-R47 PolarHBondContact O-N 2.87Å; R47-E53 IonicContact CZ-OE1 3.62Å; R47-E53 VanDerWaalsContact CZ-OE1 3.29Å; R47-E53 IonicContact CZ-OE2 3.66Å; R47-E53 VanDerWaalsContact NH1-CD 3.32Å; R47-E53 IonicContact NH1-OE1 3.83Å; R47-E53 PolarHBondContact NH1-OE1 3.2Å; R47-E53 VanDerWaalsContact NH1-OE1 3.09Å; R47-E53 IonicContact NH1-OE2 3.78Å; R47-E53 PolarHBondContact NH1-OE2 3.41Å; R47-E53 IonicContact NH2-OE1 2.79Å; R47-E53 PolarHBondContact NH2-OE1 2.96Å; R47-E53 IonicContact NH2-OE2 2.72Å |
| 48 | E | 94.7 | Very high | 93.9 | Very high | 160 Ų | 160 | 60.3 Ų | 60.3 | 75% | 0.748 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 153.9 | 167.6 | -64.5 | -169 | 171 | 0 | 0 | 111.2 | ||
| 49 | Q | 96.5 | Very high | 94 | Very high | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.065 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 136.1 | 175.1 | -167.9 | 172.9 | 51.8 | 0 | 0 | 109.7 | L22 W25 E53 L57 R63 F64 | L22-Q49 PolarHBondContact O-NE2 2.68Å; W25-Q49 PolarHBondContact O-NE2 2.85Å; Q49-E53 WeakPolarHBondContact CA-OE2 3.27Å; Q49-E53 HydrophobicContact CG-CB 3.45Å; Q49-E53 VanDerWaalsContact CG-CB 3.45Å; Q49-E53 HydrophobicContact CG-CG 4.37Å; Q49-E53 WeakPolarHBondContact CG-OE2 3.5Å; Q49-L57 VanDerWaalsContact NE2-CD1 3.35Å; Q49-R63 PolarHBondContact O-NH2 2.8Å; Q49-R63 VanDerWaalsContact O-NH2 3.16Å; Q49-F64 WeakPolarHBondContact O-CZ 3.32Å |
| 50 | T | 97.8 | Very high | 94.1 | Very high | 55 Ų | 55 | 64.8 Ų | 64.8 | 34% | 0.337 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 171 | -179.8 | 67.6 | 0 | 0 | 0 | 0 | 111.9 | E53 A54 F64 | T50-E53 PolarHBondContact N-OE2 3.31Å; T50-E53 PolarHBondContact O-N 3Å; T50-E53 WeakPolarHBondContact OG1-CG 3.37Å; T50-E53 PolarHBondContact OG1-N 3.44Å; T50-E53 PolarHBondContact OG1-OE2 3.02Å; T50-A54 WeakPolarHBondContact O-CB 3.34Å; T50-A54 PolarHBondContact O-N 3.42Å; T50-F64 VanDerWaalsContact C-CZ 3.42Å |
| 51 | M | 98.1 | Very high | 94.4 | Very high | 10 Ų | 10 | 61.8 Ų | 61.8 | 5% | 0.049 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 172.3 | -176 | 173.1 | 164.1 | 0 | 0 | 111.8 | E53 A54 H55 I61 F64 V65 F84 R87 L88 | M51-E53 VanDerWaalsContact C-N 3.32Å; M51-E53 PolarHBondContact O-N 3.02Å; M51-A54 PolarHBondContact O-N 3.48Å; M51-H55 VanDerWaalsContact O-CB 3.23Å; M51-H55 WeakPolarHBondContact O-CB 3.5Å; M51-H55 PolarHBondContact O-N 3.47Å; M51-I61 HydrophobicContact CE-CD1 4.19Å; M51-F64 HydrophobicContact CB-CB 3.87Å; M51-F64 HydrophobicContact CB-CD1 3.92Å; M51-F64 HydrophobicContact CB-CD2 3.8Å; M51-F64 HydrophobicContact CB-CE1 4.33Å; M51-F64 HydrophobicContact CB-CE2 4.2Å; M51-F64 HydrophobicContact CB-CG 3.62Å; M51-F64 HydrophobicContact CB-CZ 4.42Å; M51-F64 HydrophobicContact CG-CB 3.77Å; M51-F64 HydrophobicContact CG-CD2 3.97Å; M51-F64 HydrophobicContact CG-CG 3.95Å; M51-F64 HydrophobicContact SD-CB 3.56Å; M51-F64 VanDerWaalsContact SD-CB 3.56Å; M51-F64 HydrophobicContact SD-CG 4.36Å; M51-V65 HydrophobicContact CE-CB 4.12Å; M51-V65 HydrophobicContact CE-CG1 3.62Å; M51-V65 HydrophobicContact SD-CB 4.44Å; M51-V65 HydrophobicContact SD-CG1 4.34Å; M51-F84 HydrophobicContact CE-CD2 3.81Å; M51-F84 HydrophobicContact CE-CE2 3.44Å; M51-F84 VanDerWaalsContact CE-CE2 3.44Å; M51-F84 HydrophobicContact CE-CZ 4.04Å; M51-R87 HydrophobicContact CE-CB 4.09Å; M51-R87 HydrophobicContact SD-CB 3.39Å; M51-R87 WeakPolarHBondContact SD-CB 3.43Å; M51-R87 VanDerWaalsContact SD-CD 3.57Å; M51-R87 HydrophobicContact SD-CG 4.12Å; M51-L88 HydrophobicContact CE-CD2 4.23Å; M51-L88 HydrophobicContact CG-CD2 4.22Å |
| 52 | L | 98.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.6 | -46 | 175.9 | 172 | 58.2 | 0 | 0 | 0 | 111.4 | L27 S56 L88 A90 A96 | L27-L52 HydrophobicContact CD2-CD2 3.88Å; L27-L52 HydrophobicContact CD2-CG 4.15Å; L52-S56 VanDerWaalsContact O-CB 3.28Å; L52-S56 WeakPolarHBondContact O-CB 3.25Å; L52-S56 PolarHBondContact O-N 2.96Å; L52-S56 PolarHBondContact O-OG 2.99Å; L52-L88 HydrophobicContact CD1-CB 4.4Å; L52-A90 HydrophobicContact CD2-CB 4.24Å; L52-A96 HydrophobicContact CD1-CB 4.46Å; L52-A96 HydrophobicContact CD2-CB 4.25Å |
| 53 | E | 98.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.9 | -49.2 | 177.5 | -69.9 | 167.5 | 148.8 | 0 | 0 | 111.5 | R26 L27 W36 R47 Q49 T50 M51 H55 S56 L57 | R26-E53 WeakPolarHBondContact CA-OE1 3.47Å; R26-E53 WeakPolarHBondContact CD-OE1 3.28Å; L27-E53 HydrophobicContact CB-CG 3.88Å; L27-E53 PolarHBondContact N-OE1 3.26Å; W36-E53 HydrophobicContact CH2-CB 4.4Å; W36-E53 HydrophobicContact CH2-CG 4.29Å; W36-E53 HydrophobicContact CZ3-CG 4.34Å; R47-E53 IonicContact CZ-OE1 3.62Å; R47-E53 VanDerWaalsContact CZ-OE1 3.29Å; R47-E53 IonicContact CZ-OE2 3.66Å; R47-E53 VanDerWaalsContact NH1-CD 3.32Å; R47-E53 IonicContact NH1-OE1 3.83Å; R47-E53 PolarHBondContact NH1-OE1 3.2Å; R47-E53 VanDerWaalsContact NH1-OE1 3.09Å; R47-E53 IonicContact NH1-OE2 3.78Å; R47-E53 PolarHBondContact NH1-OE2 3.41Å; R47-E53 IonicContact NH2-OE1 2.79Å; R47-E53 PolarHBondContact NH2-OE1 2.96Å; R47-E53 IonicContact NH2-OE2 2.72Å; Q49-E53 WeakPolarHBondContact CA-OE2 3.27Å; Q49-E53 HydrophobicContact CG-CB 3.45Å; Q49-E53 VanDerWaalsContact CG-CB 3.45Å; Q49-E53 HydrophobicContact CG-CG 4.37Å; Q49-E53 WeakPolarHBondContact CG-OE2 3.5Å; T50-E53 PolarHBondContact N-OE2 3.31Å; T50-E53 PolarHBondContact O-N 3Å; T50-E53 WeakPolarHBondContact OG1-CG 3.37Å; T50-E53 PolarHBondContact OG1-N 3.44Å; T50-E53 PolarHBondContact OG1-OE2 3.02Å; M51-E53 VanDerWaalsContact C-N 3.32Å; M51-E53 PolarHBondContact O-N 3.02Å; E53-H55 VanDerWaalsContact C-N 3.32Å; E53-H55 PolarHBondContact O-N 3.04Å; E53-S56 PolarHBondContact O-N 3.15Å; E53-L57 WeakPolarHBondContact O-CB 3.45Å; E53-L57 WeakPolarHBondContact O-CG 3.49Å; E53-L57 PolarHBondContact O-N 3.33Å; E53-L57 VanDerWaalsContact O-N 3.08Å |
| 54 | A | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T50 M51 L57 G58 L59 I61 F64 | T50-A54 WeakPolarHBondContact O-CB 3.34Å; T50-A54 PolarHBondContact O-N 3.42Å; M51-A54 PolarHBondContact O-N 3.48Å; A54-L57 PolarHBondContact O-N 2.92Å; A54-G58 PolarHBondContact O-N 3.48Å; A54-G58 VanDerWaalsContact O-N 3.11Å; A54-L59 HydrophobicContact CB-CB 4.07Å; A54-L59 PolarHBondContact O-N 2.99Å; A54-I61 HydrophobicContact CB-CG2 3.9Å; A54-F64 HydrophobicContact CB-CE2 3.82Å |
| 55 | H | 98.6 | Very high | 96.4 | Very high | 32 Ų | 32 | 49.6 Ų | 49.6 | 15% | 0.148 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.2 | -48.1 | 176.5 | 179.6 | -97.5 | 0 | 0 | 0 | 112 | M51 E53 L57 G58 I61 F84 L88 D687 R709 | M51-H55 VanDerWaalsContact O-CB 3.23Å; M51-H55 WeakPolarHBondContact O-CB 3.5Å; M51-H55 PolarHBondContact O-N 3.47Å; E53-H55 VanDerWaalsContact C-N 3.32Å; E53-H55 PolarHBondContact O-N 3.04Å; H55-L57 PolarHBondContact O-N 3.07Å; H55-G58 PolarHBondContact O-N 3.38Å; H55-I61 HydrophobicContact CB-CG2 4.26Å; H55-F84 AromaticContact CD2-CZ 3.8Å; H55-F84 AromaticContact NE2-CZ 3.74Å; H55-L88 HydrophobicContact CB-CD2 3.79Å; H55-D687 IonicContact CD2-OD2 2.83Å; H55-D687 IonicContact CE1-OD2 3.86Å; H55-D687 IonicContact NE2-OD2 3.07Å; H55-D687 PolarHBondContact NE2-OD2 3.33Å; H55-R709 PolarHBondContact CE1-NH2 2.8Å |
| 56 | S | 98.5 | Very high | 96.6 | Very high | 13 Ų | 13 | 52 Ų | 52 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.6 | -31.8 | 179.7 | -60.1 | 0 | 0 | 0 | 0 | 112.8 | L52 E53 G373 | L52-S56 VanDerWaalsContact O-CB 3.28Å; L52-S56 WeakPolarHBondContact O-CB 3.25Å; L52-S56 PolarHBondContact O-N 2.96Å; L52-S56 PolarHBondContact O-OG 2.99Å; E53-S56 PolarHBondContact O-N 3.15Å; S56-G373 CarbonylContact O-C 3.58Å |
| 57 | L | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -4 | -179.2 | -58.8 | 175.1 | 0 | 0 | 0 | 113.5 | L22 W25 W36 Q49 E53 A54 H55 L59 L372 | L22-L57 HydrophobicContact CB-CD1 4.48Å; L22-L57 HydrophobicContact CD1-CB 4.48Å; L22-L57 VanDerWaalsContact O-CD1 3.3Å; L22-L57 WeakPolarHBondContact O-CD1 3.29Å; W25-L57 HydrophobicContact CB-CD1 3.99Å; W36-L57 HydrophobicContact CH2-CD1 4.15Å; W36-L57 HydrophobicContact CH2-CD2 3.82Å; W36-L57 HydrophobicContact CH2-CG 3.87Å; W36-L57 HydrophobicContact CZ2-CD2 4.41Å; W36-L57 HydrophobicContact CZ3-CD1 3.99Å; W36-L57 HydrophobicContact CZ3-CD2 4Å; W36-L57 HydrophobicContact CZ3-CG 4.16Å; Q49-L57 VanDerWaalsContact NE2-CD1 3.35Å; E53-L57 WeakPolarHBondContact O-CB 3.45Å; E53-L57 WeakPolarHBondContact O-CG 3.49Å; E53-L57 PolarHBondContact O-N 3.33Å; E53-L57 VanDerWaalsContact O-N 3.08Å; A54-L57 PolarHBondContact O-N 2.92Å; H55-L57 PolarHBondContact O-N 3.07Å; L57-L59 VanDerWaalsContact C-N 3.3Å; L57-L59 HydrophobicContact CB-CD1 4.36Å; L57-L59 HydrophobicContact CB-CG 4.2Å; L57-L59 HydrophobicContact CD1-CD1 4.37Å; L57-L59 PolarHBondContact O-N 3.19Å; L57-L372 HydrophobicContact CD2-CB 4.03Å; L57-L372 HydrophobicContact CD2-CD2 3.37Å; L57-L372 HydrophobicContact CD2-CG 3.39Å |
| 58 | G | 98 | Very high | 96.8 | Very high | 18 Ų | 18 | 49.3 Ų | 49.3 | 19% | 0.186 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 26.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K15 A54 H55 | K15-G58 WeakPolarHBondContact CE-O 3.45Å; K15-G58 PolarHBondContact NZ-O 2.89Å; A54-G58 PolarHBondContact O-N 3.48Å; A54-G58 VanDerWaalsContact O-N 3.11Å; H55-G58 PolarHBondContact O-N 3.38Å |
| 59 | L | 98.3 | Very high | 96.7 | Very high | 50 Ų | 50 | 46.1 Ų | 46.1 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | trans | -77.1 | 163.7 | 170.9 | -66.3 | 174.4 | 0 | 0 | 0 | 110.7 | L22 A54 L57 I61 | L22-L59 HydrophobicContact CB-CD1 4.09Å; L22-L59 HydrophobicContact CB-CD2 3.97Å; L22-L59 HydrophobicContact CB-CG 4.24Å; L22-L59 HydrophobicContact CD1-CD2 4.24Å; A54-L59 HydrophobicContact CB-CB 4.07Å; A54-L59 PolarHBondContact O-N 2.99Å; L57-L59 VanDerWaalsContact C-N 3.3Å; L57-L59 HydrophobicContact CB-CD1 4.36Å; L57-L59 HydrophobicContact CB-CG 4.2Å; L57-L59 HydrophobicContact CD1-CD1 4.37Å; L57-L59 PolarHBondContact O-N 3.19Å; L59-I61 PolarHBondContact O-N 3.23Å | ||
| 60 | D | 96.9 | Very high | 96.7 | Very high | 114 Ų | 114 | 48.7 Ų | 48.7 | 61% | 0.61 | 29% | 0.286 | S | S | * | . | trans | -64.6 | 129.9 | 174 | 179.7 | 27.2 | 0 | 0 | 0 | 110.6 | S62 | D60-S62 VanDerWaalsContact CG-OG 3.3Å; D60-S62 VanDerWaalsContact OD1-CB 3.28Å; D60-S62 WeakPolarHBondContact OD1-CB 3.3Å; D60-S62 PolarHBondContact OD1-N 3.09Å; D60-S62 PolarHBondContact OD1-OG 2.94Å; D60-S62 PolarHBondContact OD2-OG 3.14Å | ||
| 61 | I | 97.6 | Very high | 96.6 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | trans | -109.6 | 4.7 | -179.1 | 59.7 | 170.8 | 0 | 0 | 0 | 112.8 | M51 A54 H55 L59 R63 F64 V65 F84 | M51-I61 HydrophobicContact CE-CD1 4.19Å; A54-I61 HydrophobicContact CB-CG2 3.9Å; H55-I61 HydrophobicContact CB-CG2 4.26Å; L59-I61 PolarHBondContact O-N 3.23Å; I61-R63 PolarHBondContact O-N 2.97Å; I61-R63 VanDerWaalsContact O-N 3.08Å; I61-F64 HydrophobicContact CB-CD2 4.27Å; I61-F64 HydrophobicContact CG2-CD2 4.47Å; I61-F64 PolarHBondContact O-N 3.15Å; I61-V65 HydrophobicContact CD1-CG1 3.86Å; I61-V65 HydrophobicContact CG1-CG1 4.12Å; I61-V65 PolarHBondContact O-N 3.41Å; I61-V65 VanDerWaalsContact O-N 3.13Å; I61-F84 HydrophobicContact CD1-CE2 3.87Å; I61-F84 HydrophobicContact CD1-CZ 4.38Å | ||
| 62 | S | 95.6 | Very high | 96.4 | Very high | 70 Ų | 70 | 54.1 Ų | 54.1 | 49% | 0.49 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -29.9 | -178.4 | 69 | 0 | 0 | 0 | 0 | 113.7 | D60 F64 V65 | D60-S62 VanDerWaalsContact CG-OG 3.3Å; D60-S62 VanDerWaalsContact OD1-CB 3.28Å; D60-S62 WeakPolarHBondContact OD1-CB 3.3Å; D60-S62 PolarHBondContact OD1-N 3.09Å; D60-S62 PolarHBondContact OD1-OG 2.94Å; D60-S62 PolarHBondContact OD2-OG 3.14Å; S62-F64 VanDerWaalsContact C-N 3.27Å; S62-F64 PolarHBondContact O-N 3.35Å; S62-V65 WeakPolarHBondContact CA-O 3.48Å |
| 63 | R | 95.3 | Very high | 96.3 | Very high | 146 Ų | 146 | 55.2 Ų | 55.2 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -22.4 | 174.9 | 72 | 176.2 | -179.8 | 173 | -2.9 | 114.3 | Q49 I61 | Q49-R63 PolarHBondContact O-NH2 2.8Å; Q49-R63 VanDerWaalsContact O-NH2 3.16Å; I61-R63 PolarHBondContact O-N 2.97Å; I61-R63 VanDerWaalsContact O-N 3.08Å |
| 64 | F | 96 | Very high | 96.3 | Very high | 51 Ų | 51 | 55.2 Ų | 55.2 | 22% | 0.224 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -36.7 | -177 | -58.2 | -72.8 | 0 | 0 | 0 | 112.7 | Q49 T50 M51 A54 I61 S62 R87 | Q49-F64 WeakPolarHBondContact O-CZ 3.32Å; T50-F64 VanDerWaalsContact C-CZ 3.42Å; M51-F64 HydrophobicContact CB-CB 3.87Å; M51-F64 HydrophobicContact CB-CD1 3.92Å; M51-F64 HydrophobicContact CB-CD2 3.8Å; M51-F64 HydrophobicContact CB-CE1 4.33Å; M51-F64 HydrophobicContact CB-CE2 4.2Å; M51-F64 HydrophobicContact CB-CG 3.62Å; M51-F64 HydrophobicContact CB-CZ 4.42Å; M51-F64 HydrophobicContact CG-CB 3.77Å; M51-F64 HydrophobicContact CG-CD2 3.97Å; M51-F64 HydrophobicContact CG-CG 3.95Å; M51-F64 HydrophobicContact SD-CB 3.56Å; M51-F64 VanDerWaalsContact SD-CB 3.56Å; M51-F64 HydrophobicContact SD-CG 4.36Å; A54-F64 HydrophobicContact CB-CE2 3.82Å; I61-F64 HydrophobicContact CB-CD2 4.27Å; I61-F64 HydrophobicContact CG2-CD2 4.47Å; I61-F64 PolarHBondContact O-N 3.15Å; S62-F64 VanDerWaalsContact C-N 3.27Å; S62-F64 PolarHBondContact O-N 3.35Å; F64-R87 PolarHBondContact O-NH1 3.12Å |
| 65 | V | 95 | Very high | 96.2 | Very high | 20 Ų | 20 | 58.5 Ų | 58.5 | 12% | 0.121 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -138.2 | 123.2 | -179.5 | 62.7 | 0 | 0 | 0 | 0 | 108.7 | M51 I61 S62 F84 N685 | M51-V65 HydrophobicContact CE-CB 4.12Å; M51-V65 HydrophobicContact CE-CG1 3.62Å; M51-V65 HydrophobicContact SD-CB 4.44Å; M51-V65 HydrophobicContact SD-CG1 4.34Å; I61-V65 HydrophobicContact CD1-CG1 3.86Å; I61-V65 HydrophobicContact CG1-CG1 4.12Å; I61-V65 PolarHBondContact O-N 3.41Å; I61-V65 VanDerWaalsContact O-N 3.13Å; S62-V65 WeakPolarHBondContact CA-O 3.48Å; V65-F84 HydrophobicContact CG1-CD2 4.3Å; V65-F84 HydrophobicContact CG1-CE2 4.25Å; V65-F84 HydrophobicContact CG2-CD2 4.46Å; V65-N685 HydrophobicContact CG1-CB 4.13Å; V65-N685 HydrophobicContact CG2-CB 4.13Å |
| 66 | S | 92.8 | Very high | 96.1 | Very high | 94 Ų | 94 | 59.8 Ų | 59.8 | 66% | 0.657 | 34% | 0.342 | S | S | * | . | trans | -87.5 | 147.5 | 175.3 | 56.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 67 | D | 94.6 | Very high | 96.1 | Very high | 113 Ų | 113 | 59.1 Ų | 59.1 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | trans | -58.8 | 142.1 | 169.1 | -72.6 | -15.7 | 0 | 0 | 0 | 111.2 | L684 | D67-L684 HydrophobicContact CB-CB 3.85Å; D67-L684 HydrophobicContact CB-CD1 4.43Å | ||
| 68 | S | 93.4 | Very high | 96.1 | Very high | 45 Ų | 45 | 59.3 Ų | 59.3 | 32% | 0.315 | 34% | 0.339 | S | S | . | . | trans | -115.6 | 175.9 | 173.9 | 72.2 | 0 | 0 | 0 | 0 | 110.4 | K80 L684 | S68-K80 WeakPolarHBondContact OG-CD 3.49Å; S68-K80 WeakPolarHBondContact OG-CE 3.37Å; S68-L684 PolarHBondContact N-O 3.39Å; S68-L684 PolarHBondContact OG-O 3.06Å | ||
| 69 | S | 94.2 | Very high | 96.1 | Very high | 92 Ų | 92 | 60.1 Ų | 60.1 | 64% | 0.643 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 154.2 | 171.2 | 61.3 | 0 | 0 | 0 | 0 | 110.6 | K80 | S69-K80 PolarHBondContact O-NZ 2.81Š|
| 70 | A | 95.8 | Very high | 96.1 | Very high | 68 Ų | 68 | 59.1 Ų | 59.1 | 56% | 0.562 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 144.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L684 | A70-L684 HydrophobicContact CB-CD2 4.33Š|
| 71 | S | 95.4 | Very high | 96.2 | Very high | 16 Ų | 16 | 53.7 Ų | 53.7 | 11% | 0.112 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 139 | 174.8 | -79.1 | 0 | 0 | 0 | 0 | 111.5 | D76 K80 V679 Q682 | S71-D76 VanDerWaalsContact CA-OD2 3.32Å; S71-D76 WeakPolarHBondContact CA-OD2 3.34Å; S71-D76 WeakPolarHBondContact CB-OD2 3.36Å; S71-D76 PolarHBondContact OG-OD2 2.85Å; S71-K80 WeakPolarHBondContact OG-CD 3.42Å; S71-K80 PolarHBondContact OG-NZ 3.48Å; S71-V679 WeakPolarHBondContact O-CG1 3.27Å; S71-Q682 PolarHBondContact OG-OE1 3.25Å |
| 72 | E | 93.7 | Very high | 96.3 | Very high | 163 Ų | 163 | 53.3 Ų | 53.3 | 76% | 0.762 | 31% | 0.306 | S | S | * | . | trans | -108.4 | -15.9 | 179.2 | -62.1 | -176.8 | 169.6 | 0 | 0 | 112.3 | ||||
| 73 | T | 97.2 | Very high | 96.4 | Very high | 33 Ų | 33 | 52.7 Ų | 52.7 | 20% | 0.202 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -136.5 | 156.4 | -174.6 | 69 | 0 | 0 | 0 | 0 | 111 | L75 D76 A77 L729 | T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 3.37Å; T73-D76 PolarHBondContact O-N 3.23Å; T73-D76 WeakPolarHBondContact OG1-CB 3.41Å; T73-D76 PolarHBondContact OG1-N 3.02Å; T73-A77 WeakPolarHBondContact O-CB 3.38Å; T73-A77 PolarHBondContact O-N 3.24Å; T73-L729 CarbonylContact C-O 3.54Å; T73-L729 WeakPolarHBondContact CA-O 3.42Å; T73-L729 WeakPolarHBondContact CB-O 3.28Å |
| 74 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A77 A78 V675 L717 F720 C721 L729 | A74-A77 PolarHBondContact O-N 3Å; A74-A78 VanDerWaalsContact O-CB 3.28Å; A74-A78 WeakPolarHBondContact O-CB 3.47Å; A74-A78 PolarHBondContact O-N 3.09Å; A74-V675 HydrophobicContact CB-CG1 3.78Å; A74-L717 HydrophobicContact CB-CB 4.3Å; A74-L717 HydrophobicContact CB-CD2 3.8Å; A74-F720 HydrophobicContact CB-CD1 3.79Å; A74-F720 HydrophobicContact CB-CE1 4.33Å; A74-C721 VanDerWaalsContact CB-SG 3.54Å; A74-L729 PolarHBondContact N-O 3.4Å |
| 75 | L | 97.1 | Very high | 96.7 | Very high | 71 Ų | 71 | 43.7 Ų | 43.7 | 37% | 0.372 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 177.1 | 179.7 | 64.6 | 0 | 0 | 0 | 111.7 | T73 A78 A79 C721 A730 | T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 3.37Å; L75-A78 PolarHBondContact O-N 2.89Å; L75-A79 WeakPolarHBondContact O-CB 3.34Å; L75-A79 PolarHBondContact O-N 3.34Å; L75-C721 PolarHBondContact N-SG 3.15Å; L75-A730 WeakPolarHBondContact CB-O 3.2Å; L75-A730 PolarHBondContact N-O 3.47Å; L75-A730 VanDerWaalsContact N-O 3.12Å |
| 76 | D | 97.1 | Very high | 96.8 | Very high | 58 Ų | 58 | 46.4 Ų | 46.4 | 31% | 0.31 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 177.6 | -178.5 | 53.2 | 0 | 0 | 0 | 111.1 | S71 T73 A78 A79 K80 | S71-D76 VanDerWaalsContact CA-OD2 3.32Å; S71-D76 WeakPolarHBondContact CA-OD2 3.34Å; S71-D76 WeakPolarHBondContact CB-OD2 3.36Å; S71-D76 PolarHBondContact OG-OD2 2.85Å; T73-D76 PolarHBondContact O-N 3.23Å; T73-D76 WeakPolarHBondContact OG1-CB 3.41Å; T73-D76 PolarHBondContact OG1-N 3.02Å; D76-A78 PolarHBondContact O-N 3.47Å; D76-A79 PolarHBondContact O-N 3.09Å; D76-K80 WeakPolarHBondContact O-CG 3.47Å; D76-K80 PolarHBondContact O-N 3.15Å; D76-K80 VanDerWaalsContact OD1-CE 3.31Å; D76-K80 WeakPolarHBondContact OD1-CE 3.39Å; D76-K80 IonicContact OD1-NZ 3.36Å; D76-K80 VanDerWaalsContact OD2-CE 3.26Å; D76-K80 WeakPolarHBondContact OD2-CE 3.4Å; D76-K80 IonicContact OD2-NZ 3.81Å; D76-K80 PolarHBondContact OD2-NZ 3.49Å |
| 77 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | T73 A74 K80 G81 V679 Q682 L717 | T73-A77 WeakPolarHBondContact O-CB 3.38Å; T73-A77 PolarHBondContact O-N 3.24Å; A74-A77 PolarHBondContact O-N 3Å; A77-K80 PolarHBondContact O-N 2.75Å; A77-G81 PolarHBondContact O-N 2.76Å; A77-V679 HydrophobicContact CB-CG2 3.99Å; A77-Q682 VanDerWaalsContact CA-OE1 3.22Å; A77-Q682 VanDerWaalsContact CB-OE1 3.3Å; A77-Q682 PolarHBondContact O-NE2 2.66Å; A77-L717 HydrophobicContact CB-CD1 3.7Å |
| 78 | A | 98.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | A74 L75 D76 G81 M82 A400 L717 | A74-A78 VanDerWaalsContact O-CB 3.28Å; A74-A78 WeakPolarHBondContact O-CB 3.47Å; A74-A78 PolarHBondContact O-N 3.09Å; L75-A78 PolarHBondContact O-N 2.89Å; D76-A78 PolarHBondContact O-N 3.47Å; A78-G81 PolarHBondContact O-N 2.88Å; A78-M82 WeakPolarHBondContact O-CG 3.38Å; A78-M82 PolarHBondContact O-N 3.27Å; A78-A400 HydrophobicContact CB-CB 4.38Å; A78-L717 HydrophobicContact CB-CB 3.94Å |
| 79 | A | 97.8 | Very high | 97.5 | Very high | 35 Ų | 35 | 42 Ų | 42 | 29% | 0.289 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L75 D76 M82 N83 | L75-A79 WeakPolarHBondContact O-CB 3.34Å; L75-A79 PolarHBondContact O-N 3.34Å; D76-A79 PolarHBondContact O-N 3.09Å; A79-M82 PolarHBondContact O-N 2.91Å; A79-N83 WeakPolarHBondContact O-CB 3.49Å; A79-N83 PolarHBondContact O-N 3.46Å; A79-N83 PolarHBondContact O-ND2 3.26Å |
| 80 | K | 98.3 | Very high | 97.7 | Very high | 30 Ų | 30 | 37.9 Ų | 37.9 | 13% | 0.13 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -41.5 | 174.5 | -72.2 | -179 | -168 | 158.6 | 0 | 111.9 | S68 S69 S71 D76 A77 N83 F84 | S68-K80 WeakPolarHBondContact OG-CD 3.49Å; S68-K80 WeakPolarHBondContact OG-CE 3.37Å; S69-K80 PolarHBondContact O-NZ 2.81Å; S71-K80 WeakPolarHBondContact OG-CD 3.42Å; S71-K80 PolarHBondContact OG-NZ 3.48Å; D76-K80 WeakPolarHBondContact O-CG 3.47Å; D76-K80 PolarHBondContact O-N 3.15Å; D76-K80 VanDerWaalsContact OD1-CE 3.31Å; D76-K80 WeakPolarHBondContact OD1-CE 3.39Å; D76-K80 IonicContact OD1-NZ 3.36Å; D76-K80 VanDerWaalsContact OD2-CE 3.26Å; D76-K80 WeakPolarHBondContact OD2-CE 3.4Å; D76-K80 IonicContact OD2-NZ 3.81Å; D76-K80 PolarHBondContact OD2-NZ 3.49Å; A77-K80 PolarHBondContact O-N 2.75Å; K80-N83 PolarHBondContact O-N 2.97Å; K80-F84 WeakPolarHBondContact O-CB 3.37Å; K80-F84 PolarHBondContact O-N 3.44Å |
| 81 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.4 | -50.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A77 A78 N83 F84 Y85 G686 I714 | A77-G81 PolarHBondContact O-N 2.76Å; A78-G81 PolarHBondContact O-N 2.88Å; G81-N83 VanDerWaalsContact C-N 3.34Å; G81-N83 PolarHBondContact O-N 3.42Å; G81-F84 PolarHBondContact O-N 3.43Å; G81-Y85 VanDerWaalsContact O-CB 3.27Å; G81-Y85 WeakPolarHBondContact O-CB 3.32Å; G81-Y85 PolarHBondContact O-N 3.33Å; G81-G686 WeakPolarHBondContact CA-O 3.4Å; G81-I714 VanDerWaalsContact C-CD1 3.48Å |
| 82 | M | 98.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 41.2 Ų | 41.2 | 6% | 0.059 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 175.7 | -71.2 | -172.7 | -69.3 | 0 | 0 | 112.2 | A78 A79 Y85 R86 F397 A400 A402 L408 I714 | A78-M82 WeakPolarHBondContact O-CG 3.38Å; A78-M82 PolarHBondContact O-N 3.27Å; A79-M82 PolarHBondContact O-N 2.91Å; M82-Y85 PolarHBondContact O-N 3.25Å; M82-R86 WeakPolarHBondContact O-CB 3.35Å; M82-R86 VanDerWaalsContact O-CG 3.28Å; M82-R86 WeakPolarHBondContact O-CG 3.36Å; M82-R86 PolarHBondContact O-N 2.91Å; M82-F397 HydrophobicContact CB-CE1 4.45Å; M82-F397 HydrophobicContact CB-CE2 4.38Å; M82-F397 HydrophobicContact CB-CZ 4.21Å; M82-F397 HydrophobicContact CG-CD1 4.07Å; M82-F397 HydrophobicContact CG-CD2 4.49Å; M82-F397 HydrophobicContact CG-CE1 4.03Å; M82-F397 HydrophobicContact CG-CE2 4.47Å; M82-F397 HydrophobicContact CG-CG 4.3Å; M82-F397 HydrophobicContact CG-CZ 4.25Å; M82-F397 HydrophobicContact SD-CG 4.31Å; M82-A400 HydrophobicContact CE-CB 3.74Å; M82-A400 HydrophobicContact CG-CB 4.41Å; M82-A400 HydrophobicContact SD-CB 3.54Å; M82-A400 VanDerWaalsContact SD-CB 3.54Å; M82-A402 HydrophobicContact SD-CB 3.82Å; M82-L408 HydrophobicContact CB-CD1 4.06Å; M82-L408 HydrophobicContact CE-CD1 4.19Å; M82-L408 HydrophobicContact SD-CD1 3.92Å; M82-I714 HydrophobicContact CG-CD1 4.29Å; M82-I714 HydrophobicContact CG-CG1 4.46Å; M82-I714 HydrophobicContact CG-CG2 3.6Å; M82-I714 HydrophobicContact SD-CG2 4.33Å |
| 83 | N | 98 | Very high | 98.1 | Very high | 57 Ų | 57 | 33.5 Ų | 33.5 | 31% | 0.305 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -67.8 | -33 | 179.4 | -82.7 | -63.4 | 0 | 0 | 0 | 113.6 | A79 K80 G81 R86 | A79-N83 WeakPolarHBondContact O-CB 3.49Å; A79-N83 PolarHBondContact O-N 3.46Å; A79-N83 PolarHBondContact O-ND2 3.26Å; K80-N83 PolarHBondContact O-N 2.97Å; G81-N83 VanDerWaalsContact C-N 3.34Å; G81-N83 PolarHBondContact O-N 3.42Å; N83-R86 WeakPolarHBondContact O-CG 3.4Å |
| 84 | F | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.3 | -57.7 | 170.3 | 176.2 | -93.9 | 0 | 0 | 0 | 110.3 | M51 H55 I61 V65 K80 G81 R86 R87 L88 N685 D687 | M51-F84 HydrophobicContact CE-CD2 3.81Å; M51-F84 HydrophobicContact CE-CE2 3.44Å; M51-F84 VanDerWaalsContact CE-CE2 3.44Å; M51-F84 HydrophobicContact CE-CZ 4.04Å; H55-F84 AromaticContact CD2-CZ 3.8Å; H55-F84 AromaticContact NE2-CZ 3.74Å; I61-F84 HydrophobicContact CD1-CE2 3.87Å; I61-F84 HydrophobicContact CD1-CZ 4.38Å; V65-F84 HydrophobicContact CG1-CD2 4.3Å; V65-F84 HydrophobicContact CG1-CE2 4.25Å; V65-F84 HydrophobicContact CG2-CD2 4.46Å; K80-F84 WeakPolarHBondContact O-CB 3.37Å; K80-F84 PolarHBondContact O-N 3.44Å; G81-F84 PolarHBondContact O-N 3.43Å; F84-R86 VanDerWaalsContact C-N 3.35Å; F84-R86 PolarHBondContact O-N 3.15Å; F84-R87 WeakPolarHBondContact O-CB 3.41Å; F84-R87 PolarHBondContact O-N 3.12Å; F84-L88 HydrophobicContact CD1-CD1 4.48Å; F84-L88 HydrophobicContact CE1-CD1 3.65Å; F84-L88 HydrophobicContact CE1-CG 4.34Å; F84-L88 HydrophobicContact CZ-CD1 4.11Å; F84-N685 WeakPolarHBondContact CD2-O 3.14Å; F84-D687 HydrophobicContact CD1-CB 3.76Å; F84-D687 HydrophobicContact CD2-CB 4.14Å; F84-D687 HydrophobicContact CE1-CB 3.39Å; F84-D687 WeakPolarHBondContact CE1-OD2 3.29Å; F84-D687 HydrophobicContact CE2-CB 3.79Å; F84-D687 HydrophobicContact CG-CB 4.14Å; F84-D687 HydrophobicContact CZ-CB 3.42Å; F84-D687 VanDerWaalsContact CZ-CB 3.42Å; F84-D687 VanDerWaalsContact CZ-CG 3.41Å; F84-D687 VanDerWaalsContact CZ-OD2 3.27Å; F84-D687 WeakPolarHBondContact CZ-OD2 3.29Å |
| 85 | Y | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 32 Ų | 32 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.9 | -29.4 | -167.3 | -166.1 | -116 | 0 | 0 | 0 | 113.6 | G81 M82 R87 L88 W95 A393 F397 S707 N710 V711 | G81-Y85 VanDerWaalsContact O-CB 3.27Å; G81-Y85 WeakPolarHBondContact O-CB 3.32Å; G81-Y85 PolarHBondContact O-N 3.33Å; M82-Y85 PolarHBondContact O-N 3.25Å; Y85-R87 PolarHBondContact O-N 3.37Å; Y85-L88 HydrophobicContact CD2-CD1 4.05Å; Y85-L88 HydrophobicContact CE2-CD1 4.35Å; Y85-L88 WeakPolarHBondContact O-CB 3.41Å; Y85-L88 PolarHBondContact O-N 3.21Å; Y85-W95 AromaticContact CD1-CD1 3.99Å; Y85-W95 AromaticContact CD1-NE1 3.51Å; Y85-W95 AromaticContact CE1-CD1 3.42Å; Y85-W95 VanDerWaalsContact CE1-CD1 3.42Å; Y85-W95 HydrophobicContact CE1-CD2 4.18Å; Y85-W95 AromaticContact CE1-CE2 3.87Å; Y85-W95 AromaticContact CE1-CG 3.91Å; Y85-W95 HydrophobicContact CE1-CG 3.91Å; Y85-W95 AromaticContact CE1-NE1 3.37Å; Y85-W95 AromaticContact CE2-CD1 3.84Å; Y85-W95 AromaticContact CZ-CD1 3.32Å; Y85-W95 AromaticContact CZ-CG 3.88Å; Y85-W95 AromaticContact CZ-NE1 3.75Å; Y85-W95 PolarHBondContact O-NE1 3.21Å; Y85-A393 HydrophobicContact CE1-CB 4Å; Y85-F397 AromaticContact CD1-CE1 3.87Å; Y85-F397 HydrophobicContact CD1-CE1 3.87Å; Y85-F397 HydrophobicContact CD1-CZ 4.09Å; Y85-S707 WeakPolarHBondContact OH-CB 3.15Å; Y85-S707 PolarHBondContact OH-OG 3.09Å; Y85-N710 HydrophobicContact CD1-CB 4.44Å; Y85-N710 HydrophobicContact CD2-CB 3.37Å; Y85-N710 HydrophobicContact CE2-CB 3.64Å; Y85-N710 HydrophobicContact CG-CB 3.83Å; Y85-V711 HydrophobicContact CE1-CG2 3.66Å |
| 86 | R | 98.3 | Very high | 98.3 | Very high | 78 Ų | 78 | 29 Ų | 29 | 29% | 0.294 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -59.5 | -25.6 | 171.6 | 70.3 | 173.3 | -118.2 | 173.1 | 14.1 | 113.6 | M82 N83 F84 L88 Q89 F397 K407 L408 C411 | M82-R86 WeakPolarHBondContact O-CB 3.35Å; M82-R86 VanDerWaalsContact O-CG 3.28Å; M82-R86 WeakPolarHBondContact O-CG 3.36Å; M82-R86 PolarHBondContact O-N 2.91Å; N83-R86 WeakPolarHBondContact O-CG 3.4Å; F84-R86 VanDerWaalsContact C-N 3.35Å; F84-R86 PolarHBondContact O-N 3.15Å; R86-L88 PolarHBondContact O-N 3.37Å; R86-Q89 WeakPolarHBondContact O-CB 3.3Å; R86-Q89 PolarHBondContact O-N 2.84Å; R86-F397 HydrophobicContact CB-CE2 4.24Å; R86-F397 HydrophobicContact CB-CZ 4.45Å; R86-K407 VanDerWaalsContact NH1-C 3.31Å; R86-K407 PolarHBondContact NH1-O 3.37Å; R86-L408 HydrophobicContact CB-CD2 4.36Å; R86-L408 HydrophobicContact CG-CD2 4.3Å; R86-C411 HydrophobicContact CB-CB 4.45Å |
| 87 | R | 97.9 | Very high | 98.3 | Very high | 123 Ų | 123 | 26.4 Ų | 26.4 | 46% | 0.464 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -80 | -10 | -179.6 | -61.5 | 175.5 | 174.5 | -103.1 | 5.2 | 112.1 | M51 F64 F84 Y85 | M51-R87 HydrophobicContact CE-CB 4.09Å; M51-R87 HydrophobicContact SD-CB 3.39Å; M51-R87 WeakPolarHBondContact SD-CB 3.43Å; M51-R87 VanDerWaalsContact SD-CD 3.57Å; M51-R87 HydrophobicContact SD-CG 4.12Å; F64-R87 PolarHBondContact O-NH1 3.12Å; F84-R87 WeakPolarHBondContact O-CB 3.41Å; F84-R87 PolarHBondContact O-N 3.12Å; Y85-R87 PolarHBondContact O-N 3.37Å |
| 88 | L | 98.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -95.3 | -0.4 | 172 | -55.3 | -175.6 | 0 | 0 | 0 | 112.4 | M51 L52 H55 F84 Y85 R86 A90 | M51-L88 HydrophobicContact CE-CD2 4.23Å; M51-L88 HydrophobicContact CG-CD2 4.22Å; L52-L88 HydrophobicContact CD1-CB 4.4Å; H55-L88 HydrophobicContact CB-CD2 3.79Å; F84-L88 HydrophobicContact CD1-CD1 4.48Å; F84-L88 HydrophobicContact CE1-CD1 3.65Å; F84-L88 HydrophobicContact CE1-CG 4.34Å; F84-L88 HydrophobicContact CZ-CD1 4.11Å; Y85-L88 HydrophobicContact CD2-CD1 4.05Å; Y85-L88 HydrophobicContact CE2-CD1 4.35Å; Y85-L88 WeakPolarHBondContact O-CB 3.41Å; Y85-L88 PolarHBondContact O-N 3.21Å; R86-L88 PolarHBondContact O-N 3.37Å; L88-A90 PolarHBondContact O-N 3.08Å |
| 89 | Q | 98.8 | Very high | 98.4 | Very high | 30 Ų | 30 | 27.3 Ų | 27.3 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -64.9 | 131.2 | 171.3 | -166.8 | 179.9 | 26.7 | 0 | 0 | 109.2 | R86 G93 W95 C411 | R86-Q89 WeakPolarHBondContact O-CB 3.3Å; R86-Q89 PolarHBondContact O-N 2.84Å; Q89-G93 PolarHBondContact NE2-O 3.03Å; Q89-W95 HydrophobicContact CB-CD2 4.29Å; Q89-W95 HydrophobicContact CB-CH2 4.35Å; Q89-W95 HydrophobicContact CB-CZ2 3.8Å; Q89-W95 HydrophobicContact CG-CD2 4.18Å; Q89-W95 HydrophobicContact CG-CE3 4.21Å; Q89-W95 HydrophobicContact CG-CH2 3.93Å; Q89-W95 HydrophobicContact CG-CZ2 3.89Å; Q89-W95 HydrophobicContact CG-CZ3 4.07Å; Q89-C411 PolarHBondContact NE2-O 2.75Å; Q89-C411 VanDerWaalsContact OE1-CA 3.27Å; Q89-C411 PolarHBondContact OE1-SG 2.97Å |
| 90 | A | 98.5 | Very high | 98.4 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 3% | 0.033 | 12% | 0.116 | C | C | . | . | trans | -68.2 | 159.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | N29 L52 L88 D92 G93 H94 | N29-A90 HydrophobicContact CB-CB 3.94Å; L52-A90 HydrophobicContact CD2-CB 4.24Å; L88-A90 PolarHBondContact O-N 3.08Å; A90-D92 WeakPolarHBondContact CB-OD1 3.17Å; A90-D92 PolarHBondContact O-N 3.23Å; A90-D92 VanDerWaalsContact O-N 3.09Å; A90-G93 PolarHBondContact O-N 3.22Å; A90-H94 WeakPolarHBondContact CB-O 3.45Å; A90-H94 PolarHBondContact N-O 3.37Å | ||
| 91 | E | 97.1 | Very high | 98.4 | Very high | 120 Ų | 120 | 24.3 Ų | 24.3 | 56% | 0.561 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -16.7 | -175.7 | 64.5 | -90.6 | -149 | 0 | 0 | 114.8 | N29 | N29-E91 HydrophobicContact CB-CG 4.49Å; N29-E91 PolarHBondContact N-OE1 2.85Å; N29-E91 VanDerWaalsContact N-OE1 3.13Å; N29-E91 PolarHBondContact ND2-OE2 3.13Å |
| 92 | D | 97.9 | Very high | 98.4 | Very high | 35 Ų | 35 | 24.5 Ų | 24.5 | 19% | 0.187 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 13 | 176.1 | 64.3 | -6.7 | 0 | 0 | 0 | 113 | A30 E31 G32 A90 H94 F418 | A30-D92 WeakPolarHBondContact CA-OD2 3.41Å; A30-D92 PolarHBondContact N-OD2 3.06Å; E31-D92 PolarHBondContact N-OD2 3.47Å; G32-D92 PolarHBondContact N-OD2 2.83Å; A90-D92 WeakPolarHBondContact CB-OD1 3.17Å; A90-D92 PolarHBondContact O-N 3.23Å; A90-D92 VanDerWaalsContact O-N 3.09Å; D92-H94 IonicContact OD1-CE1 3.42Å; D92-H94 PolarHBondContact OD1-CE1 3.48Å; D92-H94 IonicContact OD1-CG 2.96Å; D92-H94 IonicContact OD1-ND1 3.88Å; D92-H94 PolarHBondContact OD1-ND1 3.42Å; D92-H94 IonicContact OD2-CE1 2.74Å; D92-H94 IonicContact OD2-ND1 3.86Å; D92-F418 WeakPolarHBondContact O-CB 3.48Å |
| 93 | G | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 94.1 | -8.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q89 A90 A415 | Q89-G93 PolarHBondContact NE2-O 3.03Å; A90-G93 PolarHBondContact O-N 3.22Å; G93-A415 WeakPolarHBondContact O-CA 3.35Å |
| 94 | H | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -89.9 | 171.3 | 175.9 | 85.2 | -78 | 0 | 0 | 0 | 112.4 | N29 Q34 A90 D92 Q386 T390 F418 | N29-H94 PolarHBondContact OD1-CE1 3.46Å; Q34-H94 PolarHBondContact NE2-NE2 2.57Å; A90-H94 WeakPolarHBondContact CB-O 3.45Å; A90-H94 PolarHBondContact N-O 3.37Å; D92-H94 IonicContact OD1-CE1 3.42Å; D92-H94 PolarHBondContact OD1-CE1 3.48Å; D92-H94 IonicContact OD1-CG 2.96Å; D92-H94 IonicContact OD1-ND1 3.88Å; D92-H94 PolarHBondContact OD1-ND1 3.42Å; D92-H94 IonicContact OD2-CE1 2.74Å; D92-H94 IonicContact OD2-ND1 3.86Å; H94-Q386 HydrophobicContact CB-CB 4.49Å; H94-Q386 WeakPolarHBondContact CD2-CG 2.99Å; H94-T390 WeakPolarHBondContact CA-OG1 3.07Å; H94-T390 WeakPolarHBondContact CB-OG1 2.97Å; H94-F418 HydrophobicContact CB-CD1 3.64Å; H94-F418 HydrophobicContact CB-CD2 3.71Å; H94-F418 HydrophobicContact CB-CE1 3.59Å; H94-F418 HydrophobicContact CB-CE2 3.69Å; H94-F418 HydrophobicContact CB-CG 3.69Å; H94-F418 HydrophobicContact CB-CZ 3.62Å | ||
| 95 | W | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | B | Isolated β-bridge | trans | -104.7 | 125.9 | 168.9 | -79.9 | -99.7 | 0 | 0 | 0 | 111 | Y85 Q89 T390 A393 F397 C411 A415 | Y85-W95 AromaticContact CD1-CD1 3.99Å; Y85-W95 AromaticContact CD1-NE1 3.51Å; Y85-W95 AromaticContact CE1-CD1 3.42Å; Y85-W95 VanDerWaalsContact CE1-CD1 3.42Å; Y85-W95 HydrophobicContact CE1-CD2 4.18Å; Y85-W95 AromaticContact CE1-CE2 3.87Å; Y85-W95 AromaticContact CE1-CG 3.91Å; Y85-W95 HydrophobicContact CE1-CG 3.91Å; Y85-W95 AromaticContact CE1-NE1 3.37Å; Y85-W95 AromaticContact CE2-CD1 3.84Å; Y85-W95 AromaticContact CZ-CD1 3.32Å; Y85-W95 AromaticContact CZ-CG 3.88Å; Y85-W95 AromaticContact CZ-NE1 3.75Å; Y85-W95 PolarHBondContact O-NE1 3.21Å; Q89-W95 HydrophobicContact CB-CD2 4.29Å; Q89-W95 HydrophobicContact CB-CH2 4.35Å; Q89-W95 HydrophobicContact CB-CZ2 3.8Å; Q89-W95 HydrophobicContact CG-CD2 4.18Å; Q89-W95 HydrophobicContact CG-CE3 4.21Å; Q89-W95 HydrophobicContact CG-CH2 3.93Å; Q89-W95 HydrophobicContact CG-CZ2 3.89Å; Q89-W95 HydrophobicContact CG-CZ3 4.07Å; W95-T390 HydrophobicContact CE3-CG2 4.11Å; W95-T390 HydrophobicContact CZ3-CG2 4.08Å; W95-T390 PolarHBondContact N-OG1 2.91Å; W95-A393 HydrophobicContact CD2-CB 4.19Å; W95-A393 HydrophobicContact CE3-CB 3.98Å; W95-A393 HydrophobicContact CH2-CB 4.38Å; W95-A393 HydrophobicContact CZ3-CB 4.09Å; W95-F397 HydrophobicContact CZ2-CE2 4.46Å; W95-F397 HydrophobicContact CZ2-CZ 4.33Å; W95-C411 WeakPolarHBondContact CH2-SG 3.38Å; W95-C411 VanDerWaalsContact CZ2-SG 3.56Å; W95-A415 HydrophobicContact CH2-CB 4.42Å; W95-A415 HydrophobicContact CZ3-CB 3.98Å |
| 96 | A | 97.9 | Very high | 98.5 | Very high | 9 Ų | 9 | 22.4 Ų | 22.4 | 7% | 0.074 | 10% | 0.101 | C | C | . | . | trans | -92.2 | 155 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L27 Q34 L52 W371 | L27-A96 HydrophobicContact CD2-CB 4.11Å; Q34-A96 HydrophobicContact CG-CB 4.19Å; Q34-A96 VanDerWaalsContact NE2-CA 3.31Å; Q34-A96 VanDerWaalsContact NE2-CB 3.31Å; L52-A96 HydrophobicContact CD1-CB 4.46Å; L52-A96 HydrophobicContact CD2-CB 4.25Å; A96-W371 HydrophobicContact CB-CH2 3.96Å; A96-W371 HydrophobicContact CB-CZ3 4.17Å | ||
| 97 | G | 98.2 | Very high | 98.5 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | trans | -171.3 | 160.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y99 Q380 | G97-Y99 PolarHBondContact O-N 3.45Å; G97-Q380 PolarHBondContact O-NE2 2.97Å | ||
| 98 | D | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 12.9 Ų | 12.9 | 4% | 0.043 | 7% | 0.065 | C | C | . | . | trans | -63.7 | 128 | 168.6 | -172.4 | -37.4 | 0 | 0 | 0 | 109.1 | G100 K378 T706 | D98-G100 PolarHBondContact OD1-N 2.88Å; D98-K378 WeakPolarHBondContact OD1-CD 3.43Å; D98-K378 IonicContact OD1-NZ 2.99Å; D98-K378 WeakPolarHBondContact OD2-CD 3.49Å; D98-K378 VanDerWaalsContact OD2-CE 3.24Å; D98-K378 WeakPolarHBondContact OD2-CE 3.17Å; D98-K378 IonicContact OD2-NZ 3.75Å; D98-K378 PolarHBondContact OD2-NZ 2.78Å; D98-T706 WeakPolarHBondContact CB-OG1 3.34Å; D98-T706 PolarHBondContact N-OG1 3.4Å; D98-T706 PolarHBondContact O-OG1 3.14Å | ||
| 99 | Y | 98.9 | Very high | 98.6 | Very high | 15 Ų | 15 | 12.6 Ų | 12.6 | 6% | 0.059 | 6% | 0.064 | C | C | . | . | trans | -132 | 33 | 179.1 | -163.8 | -114.8 | 0 | 0 | 0 | 110.3 | G97 Q380 G381 T382 F445 I703 S704 Y705 | G97-Y99 PolarHBondContact O-N 3.45Å; Y99-Q380 VanDerWaalsContact C-OE1 3.28Å; Y99-G381 PolarHBondContact O-N 3.02Å; Y99-T382 VanDerWaalsContact CD1-OG1 3.22Å; Y99-T382 WeakPolarHBondContact CD1-OG1 3.2Å; Y99-T382 HydrophobicContact CE1-CG2 4.07Å; Y99-T382 WeakPolarHBondContact CE1-OG1 3.28Å; Y99-F445 HydrophobicContact CD1-CE1 4.39Å; Y99-F445 AromaticContact CE1-CE1 3.65Å; Y99-F445 HydrophobicContact CE1-CE1 3.65Å; Y99-F445 HydrophobicContact CE1-CZ 4.15Å; Y99-F445 HydrophobicContact CE2-CE1 4.07Å; Y99-F445 AromaticContact CE2-CZ 3.77Å; Y99-F445 HydrophobicContact CE2-CZ 3.77Å; Y99-F445 AromaticContact CZ-CE1 3.48Å; Y99-F445 VanDerWaalsContact CZ-CE1 3.48Å; Y99-F445 AromaticContact CZ-CZ 3.47Å; Y99-F445 VanDerWaalsContact CZ-CZ 3.47Å; Y99-F445 WeakPolarHBondContact OH-CE1 3.48Å; Y99-F445 VanDerWaalsContact OH-CZ 3.25Å; Y99-F445 WeakPolarHBondContact OH-CZ 3.48Å; Y99-I703 HydrophobicContact CD1-CD1 3.87Å; Y99-I703 HydrophobicContact CD2-CD1 4.4Å; Y99-I703 HydrophobicContact CD2-CG1 4.28Å; Y99-I703 HydrophobicContact CE1-CD1 3.39Å; Y99-I703 HydrophobicContact CE1-CG1 4.26Å; Y99-I703 HydrophobicContact CE2-CD1 3.95Å; Y99-I703 HydrophobicContact CE2-CG1 3.98Å; Y99-I703 HydrophobicContact CG-CD1 4.34Å; Y99-I703 VanDerWaalsContact CZ-CD1 3.42Å; Y99-S704 WeakPolarHBondContact CD2-O 3.32Å; Y99-Y705 HydrophobicContact CE2-CD1 4Å; Y99-Y705 AromaticContact CE2-CE1 3.72Å; Y99-Y705 HydrophobicContact CE2-CE1 3.72Å; Y99-Y705 HydrophobicContact CE2-CE2 4.48Å; Y99-Y705 HydrophobicContact CE2-CG 4.5Å; Y99-Y705 AromaticContact CE2-CZ 3.97Å; Y99-Y705 PolarHBondContact OH-OH 3.31Å | ||
| 100 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | trans | -86.5 | -166.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D98 P102 S704 | D98-G100 PolarHBondContact OD1-N 2.88Å; G100-P102 VanDerWaalsContact C-CD 3.5Å; G100-S704 WeakPolarHBondContact O-CB 3.04Å; G100-S704 PolarHBondContact O-N 2.94Å; G100-S704 PolarHBondContact O-OG 3.03Å | ||
| 101 | G | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.01 | 6% | 0.057 | C | C | . | . | trans | 134.6 | -54.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H145 I146 | G101-H145 CarbonylContact O-C 3.6Å; G101-H145 WeakPolarHBondContact O-CA 3.32Å; G101-H145 WeakPolarHBondContact O-CB 3.29Å; G101-I146 WeakPolarHBondContact O-CG2 3.46Å; G101-I146 PolarHBondContact O-N 2.91Å | ||
| 102 | P | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 5.4 Ų | 5.4 | 3% | 0.032 | 3% | 0.03 | C | C | . | . | B | Isolated β-bridge | trans | -66.3 | 135.4 | 174.7 | -21.5 | 34 | 0 | 0 | 0 | 112.4 | G100 F104 L105 F697 A702 I703 | G100-P102 VanDerWaalsContact C-CD 3.5Å; P102-F104 HydrophobicContact CB-CD1 4.25Å; P102-F104 HydrophobicContact CB-CE1 3.69Å; P102-F104 HydrophobicContact CB-CZ 3.83Å; P102-L105 HydrophobicContact CB-CD1 3.92Å; P102-L105 HydrophobicContact CB-CG 3.96Å; P102-L105 HydrophobicContact CG-CD1 4.22Å; P102-F697 HydrophobicContact CB-CZ 4.37Å; P102-F697 HydrophobicContact CG-CE1 3.7Å; P102-F697 HydrophobicContact CG-CZ 3.73Å; P102-A702 WeakPolarHBondContact CD-O 3.4Å; P102-I703 HydrophobicContact CG-CD1 4.46Å |
| 103 | L | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 4.1 Ų | 4.1 | 5% | 0.047 | 2% | 0.023 | C | C | . | . | S | Bend | trans | -101.1 | -0.1 | -174 | -67.5 | 175.7 | 0 | 0 | 0 | 114.3 | P107 Y131 V135 W142 L144 I146 | L103-P107 WeakPolarHBondContact O-CD 3.47Å; L103-P107 WeakPolarHBondContact O-CG 3.48Å; L103-Y131 HydrophobicContact CD2-CE1 4.37Å; L103-Y131 WeakPolarHBondContact CD2-OH 3.44Å; L103-V135 HydrophobicContact CD2-CG2 3.83Å; L103-W142 HydrophobicContact CD1-CB 4.15Å; L103-L144 PolarHBondContact N-O 2.59Å; L103-I146 HydrophobicContact CD2-CG2 4.13Å |
| 104 | F | 98.7 | Very high | 98.8 | Very high | 8 Ų | 8 | 5.6 Ų | 5.6 | 4% | 0.035 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -97.9 | 4.9 | 178.5 | 55.4 | -92 | 0 | 0 | 0 | 114.1 | P102 L144 F153 W193 I339 F522 F697 | P102-F104 HydrophobicContact CB-CD1 4.25Å; P102-F104 HydrophobicContact CB-CE1 3.69Å; P102-F104 HydrophobicContact CB-CZ 3.83Å; F104-L144 HydrophobicContact CD1-CD1 3.49Å; F104-L144 VanDerWaalsContact CD1-CD1 3.49Å; F104-L144 HydrophobicContact CD1-CG 4.28Å; F104-L144 WeakPolarHBondContact CD1-O 3.49Å; F104-L144 HydrophobicContact CE1-CD1 3.54Å; F104-L144 HydrophobicContact CE1-CG 4.05Å; F104-F153 HydrophobicContact CB-CE1 3.66Å; F104-F153 HydrophobicContact CB-CE2 4.44Å; F104-F153 HydrophobicContact CB-CZ 3.6Å; F104-F153 HydrophobicContact CD1-CE1 4.07Å; F104-F153 AromaticContact CG-CE1 3.94Å; F104-F153 HydrophobicContact CG-CE1 3.94Å; F104-F153 HydrophobicContact CG-CZ 4.16Å; F104-W193 HydrophobicContact CD2-CZ3 4.5Å; F104-W193 HydrophobicContact CE2-CZ3 4.2Å; F104-I339 HydrophobicContact CD2-CD1 3.89Å; F104-I339 HydrophobicContact CE2-CD1 3.55Å; F104-F522 HydrophobicContact CE1-CE1 4.19Å; F104-F522 AromaticContact CE1-CZ 3.89Å; F104-F522 HydrophobicContact CE1-CZ 3.89Å; F104-F522 HydrophobicContact CE2-CZ 4.08Å; F104-F522 HydrophobicContact CZ-CE1 4.02Å; F104-F522 AromaticContact CZ-CZ 3.55Å; F104-F522 HydrophobicContact CZ-CZ 3.55Å; F104-F697 HydrophobicContact CZ-CE2 4.29Å; F104-F697 HydrophobicContact CZ-CZ 4.09Å |
| 105 | L | 98.9 | Very high | 98.7 | Very high | 8 Ų | 8 | 6.1 Ų | 6.1 | 4% | 0.042 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -83.4 | -60.4 | -177.8 | -54.8 | -178.3 | 0 | 0 | 0 | 112.2 | P102 P107 G108 L109 P338 I339 M379 | P102-L105 HydrophobicContact CB-CD1 3.92Å; P102-L105 HydrophobicContact CB-CG 3.96Å; P102-L105 HydrophobicContact CG-CD1 4.22Å; L105-P107 VanDerWaalsContact C-CD 3.42Å; L105-P107 VanDerWaalsContact C-N 3.32Å; L105-G108 PolarHBondContact O-N 3.49Å; L105-G108 VanDerWaalsContact O-N 3.16Å; L105-L109 PolarHBondContact O-N 2.88Å; L105-P338 HydrophobicContact CD1-CG 3.99Å; L105-P338 HydrophobicContact CD2-CB 4.41Å; L105-P338 HydrophobicContact CD2-CG 3.72Å; L105-P338 HydrophobicContact CG-CG 4.35Å; L105-I339 HydrophobicContact CD2-CD1 3.85Å; L105-I339 HydrophobicContact CD2-CG1 3.69Å; L105-M379 HydrophobicContact CB-CB 3.97Å; L105-M379 HydrophobicContact CB-CG 4.15Å; L105-M379 HydrophobicContact CB-SD 3.89Å |
| 106 | L | 98.8 | Very high | 98.7 | Very high | 6 Ų | 6 | 6.3 Ų | 6.3 | 3% | 0.031 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -56.9 | -37.8 | -179.3 | -172.8 | 69.3 | 0 | 0 | 0 | 113.2 | G108 L109 L110 M128 Y131 L132 L370 M379 | L106-G108 PolarHBondContact O-N 3.39Å; L106-L109 HydrophobicContact CD1-CD2 4.2Å; L106-L109 PolarHBondContact O-N 3.29Å; L106-L110 HydrophobicContact CD1-CD1 4.36Å; L106-L110 HydrophobicContact CD1-CG 4.32Å; L106-L110 HydrophobicContact CD2-CD1 4.22Å; L106-L110 HydrophobicContact CG-CD1 3.81Å; L106-L110 HydrophobicContact CG-CG 4.21Å; L106-L110 WeakPolarHBondContact O-CG 3.32Å; L106-L110 PolarHBondContact O-N 3.21Å; L106-M128 HydrophobicContact CD1-CE 4.22Å; L106-M128 HydrophobicContact CD1-CG 4.27Å; L106-M128 HydrophobicContact CD1-SD 3.97Å; L106-M128 HydrophobicContact CD2-CB 4.27Å; L106-M128 HydrophobicContact CD2-CG 4.29Å; L106-Y131 HydrophobicContact CD2-CD1 4.33Å; L106-L132 HydrophobicContact CD2-CD1 4.2Å; L106-L132 HydrophobicContact CD2-CD2 4.23Å; L106-L132 HydrophobicContact CD2-CG 4.16Å; L106-L370 HydrophobicContact CD1-CD2 4.27Å; L106-M379 HydrophobicContact CB-CB 4.18Å; L106-M379 HydrophobicContact CD1-CB 4.37Å |
| 107 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -57.1 | -44.3 | 175 | -26.2 | 34.1 | 0 | 0 | 0 | 114.4 | L103 L105 L109 L110 I111 L157 S161 | L103-P107 WeakPolarHBondContact O-CD 3.47Å; L103-P107 WeakPolarHBondContact O-CG 3.48Å; L105-P107 VanDerWaalsContact C-CD 3.42Å; L105-P107 VanDerWaalsContact C-N 3.32Å; P107-L109 VanDerWaalsContact C-N 3.33Å; P107-L109 PolarHBondContact O-N 2.91Å; P107-L110 PolarHBondContact O-N 2.91Å; P107-I111 WeakPolarHBondContact O-CB 3.48Å; P107-I111 VanDerWaalsContact O-CG1 3.27Å; P107-I111 WeakPolarHBondContact O-CG1 3.36Å; P107-I111 PolarHBondContact O-N 3.34Å; P107-L157 HydrophobicContact CB-CB 3.7Å; P107-L157 HydrophobicContact CB-CD1 4.2Å; P107-L157 HydrophobicContact CB-CG 4.37Å; P107-L157 HydrophobicContact CG-CB 3.73Å; P107-S161 VanDerWaalsContact CA-OG 3.24Å; P107-S161 WeakPolarHBondContact CA-OG 3.13Å; P107-S161 WeakPolarHBondContact CB-OG 3.45Å; P107-S161 WeakPolarHBondContact CG-OG 3.48Å |
| 108 | G | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L105 L106 T112 W197 T342 | L105-G108 PolarHBondContact O-N 3.49Å; L105-G108 VanDerWaalsContact O-N 3.16Å; L106-G108 PolarHBondContact O-N 3.39Å; G108-T112 PolarHBondContact O-N 3.43Å; G108-T112 PolarHBondContact O-OG1 3.34Å; G108-W197 VanDerWaalsContact CA-CZ2 3.49Å; G108-W197 WeakPolarHBondContact O-CZ3 3.28Å; G108-T342 WeakPolarHBondContact O-CG2 3.24Å |
| 109 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.3 | -48.6 | 176.2 | 175.7 | 63.7 | 0 | 0 | 0 | 111.5 | L105 L106 P107 T112 C113 T342 M345 I366 L370 M379 | L105-L109 PolarHBondContact O-N 2.88Å; L106-L109 HydrophobicContact CD1-CD2 4.2Å; L106-L109 PolarHBondContact O-N 3.29Å; P107-L109 VanDerWaalsContact C-N 3.33Å; P107-L109 PolarHBondContact O-N 2.91Å; L109-T112 PolarHBondContact O-N 3.26Å; L109-C113 WeakPolarHBondContact O-CB 3.4Å; L109-C113 PolarHBondContact O-N 3.48Å; L109-C113 PolarHBondContact O-SG 3.19Å; L109-T342 HydrophobicContact CB-CG2 4.44Å; L109-M345 HydrophobicContact CD1-CE 3.93Å; L109-I366 HydrophobicContact CD1-CD1 4.27Å; L109-I366 HydrophobicContact CD1-CG1 4.17Å; L109-I366 HydrophobicContact CD1-CG2 3.99Å; L109-I366 HydrophobicContact CD2-CG2 4Å; L109-L370 HydrophobicContact CD2-CD1 4.43Å; L109-L370 HydrophobicContact CD2-CD2 3.88Å; L109-L370 HydrophobicContact CD2-CG 4.44Å; L109-M379 HydrophobicContact CB-CE 4.25Å; L109-M379 HydrophobicContact CB-SD 3.88Å; L109-M379 HydrophobicContact CD2-CE 4.29Å; L109-M379 HydrophobicContact CD2-SD 4.14Å |
| 110 | L | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.3 | -37.9 | -177.2 | -69.4 | 170.9 | 0 | 0 | 0 | 112.4 | L106 P107 C113 H114 L120 M128 I164 L165 | L106-L110 HydrophobicContact CD1-CD1 4.36Å; L106-L110 HydrophobicContact CD1-CG 4.32Å; L106-L110 HydrophobicContact CD2-CD1 4.22Å; L106-L110 HydrophobicContact CG-CD1 3.81Å; L106-L110 HydrophobicContact CG-CG 4.21Å; L106-L110 WeakPolarHBondContact O-CG 3.32Å; L106-L110 PolarHBondContact O-N 3.21Å; P107-L110 PolarHBondContact O-N 2.91Å; L110-C113 PolarHBondContact O-N 2.65Å; L110-H114 VanDerWaalsContact O-CB 3.31Å; L110-H114 WeakPolarHBondContact O-CB 3.45Å; L110-H114 PolarHBondContact O-N 3.09Å; L110-L120 HydrophobicContact CD2-CD1 3.95Å; L110-M128 HydrophobicContact CD2-SD 4.1Å; L110-I164 HydrophobicContact CB-CG2 4.2Å; L110-L165 HydrophobicContact CD1-CD1 3.78Å; L110-L165 HydrophobicContact CD1-CG 4.03Å; L110-L165 HydrophobicContact CD2-CD1 4.48Å; L110-L165 HydrophobicContact CD2-CD2 3.77Å; L110-L165 HydrophobicContact CD2-CG 4.12Å |
| 111 | I | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.6 | -49.2 | 172.1 | -70.9 | 169.4 | 0 | 0 | 0 | 110.1 | P107 C113 H114 I115 I164 W197 V200 L201 | P107-I111 WeakPolarHBondContact O-CB 3.48Å; P107-I111 VanDerWaalsContact O-CG1 3.27Å; P107-I111 WeakPolarHBondContact O-CG1 3.36Å; P107-I111 PolarHBondContact O-N 3.34Å; I111-C113 PolarHBondContact O-N 3.23Å; I111-H114 PolarHBondContact O-N 2.94Å; I111-I115 HydrophobicContact CG2-CD1 3.81Å; I111-I115 WeakPolarHBondContact O-CG1 3.32Å; I111-I115 PolarHBondContact O-N 2.91Å; I111-I164 HydrophobicContact CG1-CD1 3.8Å; I111-W197 HydrophobicContact CB-CE3 4.26Å; I111-W197 HydrophobicContact CD1-CB 3.86Å; I111-W197 HydrophobicContact CD1-CE3 4.35Å; I111-W197 HydrophobicContact CD1-CG 4.45Å; I111-W197 HydrophobicContact CG2-CE3 4.05Å; I111-W197 HydrophobicContact CG2-CZ3 4.43Å; I111-V200 HydrophobicContact CG2-CG1 4.09Å; I111-L201 HydrophobicContact CD1-CD2 4.42Å; I111-L201 HydrophobicContact CG1-CD2 4.2Å; I111-L201 HydrophobicContact CG2-CB 4.05Å; I111-L201 HydrophobicContact CG2-CD1 4.32Å |
| 112 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 176.8 | -68.5 | 0 | 0 | 0 | 0 | 112 | G108 L109 H114 I115 A116 T342 M345 L346 | G108-T112 PolarHBondContact O-N 3.43Å; G108-T112 PolarHBondContact O-OG1 3.34Å; L109-T112 PolarHBondContact O-N 3.26Å; T112-H114 VanDerWaalsContact C-N 3.32Å; T112-H114 PolarHBondContact O-N 3.32Å; T112-I115 PolarHBondContact O-N 2.87Å; T112-A116 VanDerWaalsContact O-CB 3.31Å; T112-A116 WeakPolarHBondContact O-CB 3.45Å; T112-A116 PolarHBondContact O-N 3.21Å; T112-T342 HydrophobicContact CG2-CG2 4.41Å; T112-T342 WeakPolarHBondContact OG1-CG2 3.47Å; T112-M345 HydrophobicContact CG2-CE 3.63Å; T112-M345 HydrophobicContact CG2-CG 4.4Å; T112-L346 HydrophobicContact CG2-CB 3.88Å; T112-L346 HydrophobicContact CG2-CD1 4.23Å |
| 113 | C | 98.9 | Very high | 98.3 | Very high | 8 Ų | 8 | 27 Ų | 27 | 5% | 0.054 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -40.4 | 176.8 | -71.9 | 0 | 0 | 0 | 0 | 112.2 | L109 L110 I111 K117 I118 | L109-C113 WeakPolarHBondContact O-CB 3.4Å; L109-C113 PolarHBondContact O-N 3.48Å; L109-C113 PolarHBondContact O-SG 3.19Å; L110-C113 PolarHBondContact O-N 2.65Å; I111-C113 PolarHBondContact O-N 3.23Å; C113-K117 CarbonylContact O-C 3.57Å; C113-K117 WeakPolarHBondContact O-CA 3.27Å; C113-K117 PolarHBondContact O-N 3.12Å; C113-I118 HydrophobicContact CB-CB 4.09Å; C113-I118 PolarHBondContact O-N 3.45Å |
| 114 | H | 98.8 | Very high | 98.2 | Very high | 30 Ų | 30 | 27.8 Ų | 27.8 | 14% | 0.139 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 177 | 173.6 | 82.2 | 0 | 0 | 0 | 112.5 | L110 I111 T112 K117 I164 D254 | L110-H114 VanDerWaalsContact O-CB 3.31Å; L110-H114 WeakPolarHBondContact O-CB 3.45Å; L110-H114 PolarHBondContact O-N 3.09Å; I111-H114 PolarHBondContact O-N 2.94Å; T112-H114 VanDerWaalsContact C-N 3.32Å; T112-H114 PolarHBondContact O-N 3.32Å; H114-K117 WeakPolarHBondContact O-CD 3.47Å; H114-K117 WeakPolarHBondContact O-CE 3.34Å; H114-K117 PolarHBondContact O-NZ 3.13Å; H114-I164 HydrophobicContact CB-CD1 4.35Å; H114-I164 HydrophobicContact CB-CG1 4.47Å; H114-I164 HydrophobicContact CB-CG2 3.94Å; H114-D254 IonicContact CE1-OD2 3.1Å; H114-D254 PolarHBondContact CE1-OD2 3.04Å; H114-D254 IonicContact NE2-OD2 2.69Å; H114-D254 PolarHBondContact NE2-OD2 3.4Å |
| 115 | I | 98.7 | Very high | 98.2 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 6% | 0.056 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.6 | -52 | 179.3 | -66.6 | 170.4 | 0 | 0 | 0 | 110.7 | I111 T112 K117 V200 A251 L346 W349 | I111-I115 HydrophobicContact CG2-CD1 3.81Å; I111-I115 WeakPolarHBondContact O-CG1 3.32Å; I111-I115 PolarHBondContact O-N 2.91Å; T112-I115 PolarHBondContact O-N 2.87Å; I115-K117 PolarHBondContact O-N 3.09Å; I115-V200 HydrophobicContact CD1-CG1 3.38Å; I115-V200 WeakPolarHBondContact CD1-O 3.44Å; I115-A251 HydrophobicContact CD1-CB 4.12Å; I115-A251 HydrophobicContact CG1-CB 3.75Å; I115-L346 HydrophobicContact CB-CD1 4.27Å; I115-L346 HydrophobicContact CG2-CD1 3.88Å; I115-W349 HydrophobicContact CG2-CE3 4.26Å; I115-W349 HydrophobicContact CG2-CH2 3.55Å; I115-W349 HydrophobicContact CG2-CZ2 4.27Å; I115-W349 HydrophobicContact CG2-CZ3 3.54Å |
| 116 | A | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 4.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T112 I118 W349 F359 | T112-A116 VanDerWaalsContact O-CB 3.31Å; T112-A116 WeakPolarHBondContact O-CB 3.45Å; T112-A116 PolarHBondContact O-N 3.21Å; A116-I118 HydrophobicContact CB-CD1 4Å; A116-I118 HydrophobicContact CB-CG1 3.91Å; A116-I118 PolarHBondContact O-N 3.31Å; A116-W349 HydrophobicContact CB-CB 4.16Å; A116-W349 HydrophobicContact CB-CD2 3.83Å; A116-W349 HydrophobicContact CB-CG 3.56Å; A116-F359 HydrophobicContact CB-CE2 4.28Å; A116-F359 HydrophobicContact CB-CZ 3.95Å |
| 117 | K | 98.3 | Very high | 98.2 | Very high | 140 Ų | 140 | 34.5 Ų | 34.5 | 61% | 0.609 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 41.3 | -178.8 | -51.1 | -60.7 | 171.3 | -160.6 | 0 | 112.5 | C113 H114 I115 P119 | C113-K117 CarbonylContact O-C 3.57Å; C113-K117 WeakPolarHBondContact O-CA 3.27Å; C113-K117 PolarHBondContact O-N 3.12Å; H114-K117 WeakPolarHBondContact O-CD 3.47Å; H114-K117 WeakPolarHBondContact O-CE 3.34Å; H114-K117 PolarHBondContact O-NZ 3.13Å; I115-K117 PolarHBondContact O-N 3.09Å; K117-P119 WeakPolarHBondContact O-CD 3.42Å |
| 118 | I | 98.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 34.5 Ų | 34.5 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | trans | -77.1 | 118.5 | 178.9 | -59 | 169 | 0 | 0 | 0 | 108.5 | C113 A116 L120 M345 F359 V363 I366 | C113-I118 HydrophobicContact CB-CB 4.09Å; C113-I118 PolarHBondContact O-N 3.45Å; A116-I118 HydrophobicContact CB-CD1 4Å; A116-I118 HydrophobicContact CB-CG1 3.91Å; A116-I118 PolarHBondContact O-N 3.31Å; I118-L120 PolarHBondContact O-N 3.37Å; I118-M345 HydrophobicContact CD1-CE 3.85Å; I118-M345 HydrophobicContact CD1-CG 4.5Å; I118-M345 HydrophobicContact CD1-SD 4.01Å; I118-F359 HydrophobicContact CD1-CE2 4.14Å; I118-F359 HydrophobicContact CD1-CZ 3.84Å; I118-F359 HydrophobicContact CG1-CZ 3.78Å; I118-V363 HydrophobicContact CD1-CG2 4.03Å; I118-V363 HydrophobicContact CG1-CG2 4.16Å; I118-V363 HydrophobicContact CG2-CG1 4.01Å; I118-V363 HydrophobicContact CG2-CG2 4.29Å; I118-I366 HydrophobicContact CD1-CD1 4.23Å; I118-I366 HydrophobicContact CG2-CD1 3.95Å | ||
| 119 | P | 95.8 | Very high | 98.2 | Very high | 116 Ų | 116 | 35.6 Ų | 35.6 | 75% | 0.753 | 18% | 0.182 | S | C | * | . | trans | -72.5 | 131 | 176.1 | 29.9 | -33.1 | 0 | 0 | 0 | 110.2 | K117 | K117-P119 WeakPolarHBondContact O-CD 3.42Š| ||
| 120 | L | 96.1 | Very high | 98.2 | Very high | 27 Ų | 27 | 36.2 Ų | 36.2 | 14% | 0.141 | 19% | 0.185 | C | C | . | . | trans | -104.8 | 139.5 | 168.4 | -65.2 | 178 | 0 | 0 | 0 | 109.6 | L110 I118 K125 M128 | L110-L120 HydrophobicContact CD2-CD1 3.95Å; I118-L120 PolarHBondContact O-N 3.37Å; L120-K125 HydrophobicContact CB-CD 4.41Å; L120-K125 HydrophobicContact CB-CG 3.95Å; L120-M128 HydrophobicContact CD1-CE 4.21Å; L120-M128 HydrophobicContact CD1-SD 4.14Å | ||
| 121 | P | 96.3 | Very high | 98.2 | Very high | 61 Ų | 61 | 36.4 Ų | 36.4 | 40% | 0.396 | 19% | 0.185 | S | C | . | . | trans | -53.8 | 143.5 | 174.4 | -25.2 | 34.1 | 0 | 0 | 0 | 112.1 | A123 W124 K125 | P121-A123 VanDerWaalsContact C-N 3.35Å; P121-A123 PolarHBondContact O-N 2.87Å; P121-W124 HydrophobicContact CB-CB 4.36Å; P121-W124 HydrophobicContact CB-CD2 4.26Å; P121-W124 HydrophobicContact CB-CG 3.88Å; P121-W124 HydrophobicContact CG-CD2 3.86Å; P121-W124 HydrophobicContact CG-CE3 4.3Å; P121-W124 HydrophobicContact CG-CG 4.03Å; P121-W124 HydrophobicContact CG-CZ2 4.43Å; P121-W124 WeakPolarHBondContact O-CB 3.49Å; P121-W124 PolarHBondContact O-N 3.02Å; P121-K125 PolarHBondContact O-N 3.46Å; P121-K125 VanDerWaalsContact O-N 3.14Å | ||
| 122 | E | 97 | Very high | 98.2 | Very high | 105 Ų | 105 | 36.4 Ų | 36.4 | 49% | 0.491 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.9 | -43.8 | -174.9 | -173.5 | 56.8 | -141.7 | 0 | 0 | 112.6 | W124 K125 K126 | E122-W124 PolarHBondContact O-N 3.38Å; E122-K125 PolarHBondContact O-N 2.94Å; E122-K125 WeakPolarHBondContact OE2-CE 3.33Å; E122-K125 IonicContact OE2-NZ 2.64Å; E122-K125 PolarHBondContact OE2-NZ 3.4Å; E122-K126 WeakPolarHBondContact O-CG 3.36Å; E122-K126 PolarHBondContact O-N 2.74Å |
| 123 | A | 97.9 | Very high | 98.2 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.2 | -34.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T20 W25 Y38 P121 E127 | T20-A123 HydrophobicContact CG2-CB 4.06Å; W25-A123 HydrophobicContact CH2-CB 4.22Å; W25-A123 HydrophobicContact CZ2-CB 3.85Å; Y38-A123 HydrophobicContact CD1-CB 3.7Å; Y38-A123 HydrophobicContact CD2-CB 4.08Å; Y38-A123 HydrophobicContact CE1-CB 4.35Å; Y38-A123 HydrophobicContact CG-CB 3.53Å; P121-A123 VanDerWaalsContact C-N 3.35Å; P121-A123 PolarHBondContact O-N 2.87Å; A123-E127 WeakPolarHBondContact O-CG 3.34Å; A123-E127 PolarHBondContact O-N 3.31Å; A123-E127 VanDerWaalsContact O-N 3.08Å |
| 124 | W | 98.5 | Very high | 98.2 | Very high | 26 Ų | 26 | 40.4 Ų | 40.4 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.7 | -45.6 | 179.2 | -65.6 | 23.1 | 0 | 0 | 0 | 110.6 | W25 W36 P121 E122 K126 E127 M128 P367 L370 M377 | W25-W124 AromaticContact CH2-CD1 3.29Å; W25-W124 HydrophobicContact CH2-CG 4.2Å; W25-W124 AromaticContact CH2-NE1 3.68Å; W25-W124 AromaticContact CZ3-CD1 3.7Å; W25-W124 AromaticContact CZ3-NE1 3.55Å; W36-W124 WeakPolarHBondContact O-CZ2 3.48Å; P121-W124 HydrophobicContact CB-CB 4.36Å; P121-W124 HydrophobicContact CB-CD2 4.26Å; P121-W124 HydrophobicContact CB-CG 3.88Å; P121-W124 HydrophobicContact CG-CD2 3.86Å; P121-W124 HydrophobicContact CG-CE3 4.3Å; P121-W124 HydrophobicContact CG-CG 4.03Å; P121-W124 HydrophobicContact CG-CZ2 4.43Å; P121-W124 WeakPolarHBondContact O-CB 3.49Å; P121-W124 PolarHBondContact O-N 3.02Å; E122-W124 PolarHBondContact O-N 3.38Å; W124-K126 VanDerWaalsContact C-N 3.31Å; W124-K126 PolarHBondContact O-N 3.44Å; W124-E127 PolarHBondContact O-N 3.37Å; W124-M128 HydrophobicContact CB-CE 4.42Å; W124-M128 WeakPolarHBondContact O-CB 3.47Å; W124-M128 VanDerWaalsContact O-CG 3.25Å; W124-M128 WeakPolarHBondContact O-CG 3.26Å; W124-M128 PolarHBondContact O-N 3.04Å; W124-P367 HydrophobicContact CH2-CB 3.66Å; W124-P367 HydrophobicContact CH2-CG 3.67Å; W124-P367 HydrophobicContact CZ3-CB 4.35Å; W124-P367 HydrophobicContact CZ3-CG 4.21Å; W124-L370 HydrophobicContact CE3-CD1 3.55Å; W124-L370 HydrophobicContact CZ3-CD1 3.55Å; W124-M377 HydrophobicContact CB-CE 4.29Å; W124-M377 HydrophobicContact CB-SD 3.73Å; W124-M377 HydrophobicContact CD2-CE 4.08Å; W124-M377 HydrophobicContact CD2-SD 4.02Å; W124-M377 HydrophobicContact CE3-SD 4.27Å; W124-M377 HydrophobicContact CG-CE 3.87Å; W124-M377 HydrophobicContact CG-SD 3.83Å |
| 125 | K | 98.7 | Very high | 98.2 | Very high | 64 Ų | 64 | 39.7 Ų | 39.7 | 28% | 0.278 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58 | -44.8 | 175.9 | -67.1 | -175.6 | -68.2 | 165.5 | 0 | 111.3 | L120 P121 E122 E127 M128 V129 L165 | L120-K125 HydrophobicContact CB-CD 4.41Å; L120-K125 HydrophobicContact CB-CG 3.95Å; P121-K125 PolarHBondContact O-N 3.46Å; P121-K125 VanDerWaalsContact O-N 3.14Å; E122-K125 PolarHBondContact O-N 2.94Å; E122-K125 WeakPolarHBondContact OE2-CE 3.33Å; E122-K125 IonicContact OE2-NZ 2.64Å; E122-K125 PolarHBondContact OE2-NZ 3.4Å; K125-E127 PolarHBondContact O-N 3.1Å; K125-M128 PolarHBondContact O-N 2.84Å; K125-V129 WeakPolarHBondContact O-CG2 3.41Å; K125-V129 PolarHBondContact O-N 2.89Å; K125-L165 HydrophobicContact CB-CD2 3.97Å; K125-L165 HydrophobicContact CD-CD2 4.48Å; K125-L165 HydrophobicContact CG-CD2 3.9Å |
| 126 | K | 98.7 | Very high | 98.2 | Very high | 99 Ų | 99 | 39.6 Ų | 39.6 | 43% | 0.43 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58 | -48 | 175.9 | -72.9 | 179 | 178.7 | 179.7 | 0 | 112.2 | A19 T20 E122 W124 V129 R130 | A19-K126 HydrophobicContact CB-CB 4Å; T20-K126 HydrophobicContact CG2-CB 4.07Å; T20-K126 HydrophobicContact CG2-CD 4.15Å; E122-K126 WeakPolarHBondContact O-CG 3.36Å; E122-K126 PolarHBondContact O-N 2.74Å; W124-K126 VanDerWaalsContact C-N 3.31Å; W124-K126 PolarHBondContact O-N 3.44Å; K126-V129 PolarHBondContact O-N 3.35Å; K126-R130 WeakPolarHBondContact O-CB 3.08Å; K126-R130 PolarHBondContact O-N 3.3Å |
| 127 | E | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.2 | -26 | 179.9 | -69.7 | -60.7 | 145.1 | 0 | 0 | 113.3 | A19 T20 W25 A123 W124 K125 R130 Y131 L372 M377 | A19-E127 PolarHBondContact N-OE1 3.13Å; T20-E127 WeakPolarHBondContact CB-OE1 3.48Å; T20-E127 HydrophobicContact CG2-CG 4.09Å; T20-E127 PolarHBondContact N-OE1 2.91Å; T20-E127 PolarHBondContact OG1-OE1 3.3Å; W25-E127 HydrophobicContact CZ2-CB 4.45Å; W25-E127 HydrophobicContact CZ2-CG 3.71Å; A123-E127 WeakPolarHBondContact O-CG 3.34Å; A123-E127 PolarHBondContact O-N 3.31Å; A123-E127 VanDerWaalsContact O-N 3.08Å; W124-E127 PolarHBondContact O-N 3.37Å; K125-E127 PolarHBondContact O-N 3.1Å; E127-R130 IonicContact OE1-NH1 2.97Å; E127-R130 WeakPolarHBondContact OE2-CD 3.36Å; E127-R130 IonicContact OE2-CZ 2.98Å; E127-R130 IonicContact OE2-NE 3.74Å; E127-R130 IonicContact OE2-NH1 3.94Å; E127-R130 PolarHBondContact OE2-NH1 2.95Å; E127-Y131 WeakPolarHBondContact O-CB 3.49Å; E127-Y131 PolarHBondContact O-N 3.36Å; E127-L372 HydrophobicContact CB-CD1 3.83Å; E127-L372 HydrophobicContact CG-CD1 3.78Å; E127-M377 HydrophobicContact CB-CB 3.64Å; E127-M377 PolarHBondContact O-N 2.78Å |
| 128 | M | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.4 | -43.2 | 170.2 | -72.2 | 174 | -173.5 | 0 | 0 | 111.8 | L106 L110 L120 W124 K125 R130 Y131 L132 L165 L370 M377 | L106-M128 HydrophobicContact CD1-CE 4.22Å; L106-M128 HydrophobicContact CD1-CG 4.27Å; L106-M128 HydrophobicContact CD1-SD 3.97Å; L106-M128 HydrophobicContact CD2-CB 4.27Å; L106-M128 HydrophobicContact CD2-CG 4.29Å; L110-M128 HydrophobicContact CD2-SD 4.1Å; L120-M128 HydrophobicContact CD1-CE 4.21Å; L120-M128 HydrophobicContact CD1-SD 4.14Å; W124-M128 HydrophobicContact CB-CE 4.42Å; W124-M128 WeakPolarHBondContact O-CB 3.47Å; W124-M128 VanDerWaalsContact O-CG 3.25Å; W124-M128 WeakPolarHBondContact O-CG 3.26Å; W124-M128 PolarHBondContact O-N 3.04Å; K125-M128 PolarHBondContact O-N 2.84Å; M128-R130 VanDerWaalsContact C-N 3.32Å; M128-Y131 PolarHBondContact O-N 3.47Å; M128-L132 WeakPolarHBondContact O-CG 3.26Å; M128-L132 PolarHBondContact O-N 2.76Å; M128-L165 HydrophobicContact CB-CD1 3.92Å; M128-L370 HydrophobicContact CE-CD1 3.39Å; M128-L370 HydrophobicContact CE-CD2 3.75Å; M128-L370 HydrophobicContact CE-CG 4.2Å; M128-M377 HydrophobicContact CE-CG 4.31Å; M128-M377 HydrophobicContact CE-SD 3.72Å; M128-M377 HydrophobicContact CG-CB 4.13Å; M128-M377 HydrophobicContact CG-CG 4.11Å; M128-M377 HydrophobicContact CG-SD 4.29Å |
| 129 | V | 98.9 | Very high | 98.2 | Very high | 24 Ų | 24 | 37.5 Ų | 37.5 | 15% | 0.145 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.9 | -47.4 | 172.4 | 169.7 | 0 | 0 | 0 | 0 | 109.8 | K125 K126 Y131 L132 R133 L162 L165 V167 | K125-V129 WeakPolarHBondContact O-CG2 3.41Å; K125-V129 PolarHBondContact O-N 2.89Å; K126-V129 PolarHBondContact O-N 3.35Å; V129-Y131 PolarHBondContact O-N 3.28Å; V129-L132 PolarHBondContact O-N 2.77Å; V129-R133 WeakPolarHBondContact O-CG 3.43Å; V129-R133 PolarHBondContact O-N 2.91Å; V129-L162 HydrophobicContact CB-CD2 4.32Å; V129-L162 HydrophobicContact CG1-CD2 3.98Å; V129-L162 HydrophobicContact CG2-CD2 4.29Å; V129-L165 HydrophobicContact CG2-CB 3.65Å; V129-L165 HydrophobicContact CG2-CD1 3.79Å; V129-L165 HydrophobicContact CG2-CG 4.26Å; V129-V167 HydrophobicContact CG1-CG2 4.03Å; V129-V167 HydrophobicContact CG2-CG2 4.2Å |
| 130 | R | 98.9 | Very high | 98.3 | Very high | 15 Ų | 15 | 32 Ų | 32 | 6% | 0.057 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.4 | -49.6 | 175.4 | -177 | -156.2 | 169.2 | -169.7 | -4.7 | 111.1 | T16 E17 P18 A19 K126 E127 M128 L132 R133 S134 L374 | T16-R130 PolarHBondContact O-NH2 2.92Å; T16-R130 PolarHBondContact OG1-NE 3.48Å; T16-R130 VanDerWaalsContact OG1-NE 3.16Å; T16-R130 PolarHBondContact OG1-NH2 3.43Å; E17-R130 WeakPolarHBondContact O-CD 3.49Å; E17-R130 PolarHBondContact O-NE 3.16Å; P18-R130 VanDerWaalsContact CA-CZ 3.41Å; A19-R130 HydrophobicContact CB-CB 4.08Å; K126-R130 WeakPolarHBondContact O-CB 3.08Å; K126-R130 PolarHBondContact O-N 3.3Å; E127-R130 IonicContact OE1-NH1 2.97Å; E127-R130 WeakPolarHBondContact OE2-CD 3.36Å; E127-R130 IonicContact OE2-CZ 2.98Å; E127-R130 IonicContact OE2-NE 3.74Å; E127-R130 IonicContact OE2-NH1 3.94Å; E127-R130 PolarHBondContact OE2-NH1 2.95Å; M128-R130 VanDerWaalsContact C-N 3.32Å; R130-L132 PolarHBondContact O-N 3.41Å; R130-R133 PolarHBondContact O-N 3.42Å; R130-S134 WeakPolarHBondContact O-CB 3.37Å; R130-S134 PolarHBondContact O-N 2.95Å; R130-S134 PolarHBondContact O-OG 2.95Å; R130-L374 PolarHBondContact NH2-O 3.14Å |
| 131 | Y | 98.9 | Very high | 98.4 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 2% | 0.024 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55 | -52 | 178.7 | 171.6 | -112.2 | 0 | 0 | 0 | 112.4 | L103 L106 E127 M128 V129 R133 S134 V135 D375 M377 K378 | L103-Y131 HydrophobicContact CD2-CE1 4.37Å; L103-Y131 WeakPolarHBondContact CD2-OH 3.44Å; L106-Y131 HydrophobicContact CD2-CD1 4.33Å; E127-Y131 WeakPolarHBondContact O-CB 3.49Å; E127-Y131 PolarHBondContact O-N 3.36Å; M128-Y131 PolarHBondContact O-N 3.47Å; V129-Y131 PolarHBondContact O-N 3.28Å; Y131-R133 VanDerWaalsContact C-N 3.31Å; Y131-R133 PolarHBondContact O-N 3.11Å; Y131-S134 WeakPolarHBondContact O-CB 3.43Å; Y131-S134 PolarHBondContact O-N 3.27Å; Y131-S134 VanDerWaalsContact O-N 3.12Å; Y131-V135 HydrophobicContact CD2-CG1 4.04Å; Y131-V135 HydrophobicContact CE1-CG2 4.36Å; Y131-V135 HydrophobicContact CE2-CG1 3.53Å; Y131-V135 HydrophobicContact CE2-CG2 4.27Å; Y131-V135 WeakPolarHBondContact O-CG2 3.24Å; Y131-V135 PolarHBondContact O-N 3.41Å; Y131-D375 VanDerWaalsContact CA-O 3.25Å; Y131-D375 WeakPolarHBondContact CA-O 3.47Å; Y131-D375 HydrophobicContact CD2-CB 4.49Å; Y131-D375 PolarHBondContact N-O 3.14Å; Y131-M377 VanDerWaalsContact CB-O 3.29Å; Y131-M377 WeakPolarHBondContact CB-O 3.46Å; Y131-K378 HydrophobicContact CD1-CB 3.8Å; Y131-K378 HydrophobicContact CD2-CB 3.92Å; Y131-K378 HydrophobicContact CE1-CB 3.57Å; Y131-K378 HydrophobicContact CE2-CB 3.72Å; Y131-K378 HydrophobicContact CE2-CD 4.07Å; Y131-K378 VanDerWaalsContact CE2-CE 3.5Å; Y131-K378 HydrophobicContact CG-CB 3.96Å |
| 132 | L | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | -178.9 | -69.1 | 175.1 | 0 | 0 | 0 | 111.7 | L106 M128 V129 R130 V135 Q136 W142 L162 L165 | L106-L132 HydrophobicContact CD2-CD1 4.2Å; L106-L132 HydrophobicContact CD2-CD2 4.23Å; L106-L132 HydrophobicContact CD2-CG 4.16Å; M128-L132 WeakPolarHBondContact O-CG 3.26Å; M128-L132 PolarHBondContact O-N 2.76Å; V129-L132 PolarHBondContact O-N 2.77Å; R130-L132 PolarHBondContact O-N 3.41Å; L132-V135 PolarHBondContact O-N 2.99Å; L132-Q136 PolarHBondContact O-N 3.38Å; L132-Q136 VanDerWaalsContact O-N 3.12Å; L132-W142 WeakPolarHBondContact O-CZ2 3.26Å; L132-W142 PolarHBondContact O-NE1 3.23Å; L132-L162 HydrophobicContact CB-CD1 4.24Å; L132-L162 HydrophobicContact CB-CD2 3.93Å; L132-L162 HydrophobicContact CB-CG 4.07Å; L132-L162 HydrophobicContact CD1-CD2 4.07Å; L132-L162 HydrophobicContact CD1-CG 3.89Å; L132-L165 HydrophobicContact CD1-CD1 4.28Å |
| 133 | R | 98.9 | Very high | 98.6 | Very high | 70 Ų | 70 | 22.8 Ų | 22.8 | 26% | 0.264 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 173.5 | -68.3 | -177.1 | -171 | -92.3 | 6.7 | 112.2 | V129 R130 Y131 V135 Q136 V167 D171 D173 | V129-R133 WeakPolarHBondContact O-CG 3.43Å; V129-R133 PolarHBondContact O-N 2.91Å; R130-R133 PolarHBondContact O-N 3.42Å; Y131-R133 VanDerWaalsContact C-N 3.31Å; Y131-R133 PolarHBondContact O-N 3.11Å; R133-V135 PolarHBondContact O-N 3.16Å; R133-Q136 WeakPolarHBondContact O-CB 3.48Å; R133-Q136 PolarHBondContact O-N 3.27Å; R133-Q136 VanDerWaalsContact O-N 3.12Å; R133-V167 VanDerWaalsContact NH2-CG1 3.26Å; R133-D171 IonicContact CZ-OD1 3.6Å; R133-D171 IonicContact CZ-OD2 2.64Å; R133-D171 IonicContact NH1-OD1 2.83Å; R133-D171 PolarHBondContact NH1-OD1 3.31Å; R133-D171 IonicContact NH1-OD2 2.92Å; R133-D171 PolarHBondContact NH1-OD2 2.89Å; R133-D171 IonicContact NH2-OD1 3.68Å; R133-D171 IonicContact NH2-OD2 3.86Å; R133-D171 PolarHBondContact NH2-OD2 3.28Å; R133-D173 IonicContact CZ-OD2 3.58Å; R133-D173 VanDerWaalsContact NH1-CG 3.29Å; R133-D173 IonicContact NH1-OD2 2.84Å; R133-D173 PolarHBondContact NH1-OD2 3.08Å |
| 134 | S | 98.8 | Very high | 98.7 | Very high | 22 Ų | 22 | 22.9 Ų | 22.9 | 15% | 0.154 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58 | -33.9 | 178.8 | -64.2 | 0 | 0 | 0 | 0 | 112.6 | R9 T16 R130 Y131 D375 | R9-S134 PolarHBondContact NH1-O 3.46Å; T16-S134 WeakPolarHBondContact CB-OG 3.35Å; T16-S134 WeakPolarHBondContact CG2-OG 3.44Å; T16-S134 PolarHBondContact OG1-OG 3.34Å; R130-S134 WeakPolarHBondContact O-CB 3.37Å; R130-S134 PolarHBondContact O-N 2.95Å; R130-S134 PolarHBondContact O-OG 2.95Å; Y131-S134 WeakPolarHBondContact O-CB 3.43Å; Y131-S134 PolarHBondContact O-N 3.27Å; Y131-S134 VanDerWaalsContact O-N 3.12Å; S134-D375 WeakPolarHBondContact CB-O 3.48Å; S134-D375 PolarHBondContact OG-O 3Å |
| 135 | V | 98.8 | Very high | 98.7 | Very high | 15 Ų | 15 | 21.7 Ų | 21.7 | 9% | 0.091 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 2.7 | -179.8 | -55.5 | 0 | 0 | 0 | 0 | 113.8 | L103 Y131 L132 R133 L137 I146 | L103-V135 HydrophobicContact CD2-CG2 3.83Å; Y131-V135 HydrophobicContact CD2-CG1 4.04Å; Y131-V135 HydrophobicContact CE1-CG2 4.36Å; Y131-V135 HydrophobicContact CE2-CG1 3.53Å; Y131-V135 HydrophobicContact CE2-CG2 4.27Å; Y131-V135 WeakPolarHBondContact O-CG2 3.24Å; Y131-V135 PolarHBondContact O-N 3.41Å; L132-V135 PolarHBondContact O-N 2.99Å; R133-V135 PolarHBondContact O-N 3.16Å; V135-L137 PolarHBondContact O-N 2.86Å; V135-I146 HydrophobicContact CG1-CG2 4.25Å |
| 136 | Q | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 4% | 0.037 | 10% | 0.099 | C | C | . | . | trans | -63.4 | 132.3 | 171.2 | -165 | 179.6 | 33.2 | 0 | 0 | 109.9 | R9 L132 R133 G140 W142 D173 | R9-Q136 VanDerWaalsContact CZ-O 3.32Å; R9-Q136 PolarHBondContact NH1-O 3.42Å; R9-Q136 PolarHBondContact NH2-O 3.29Å; L132-Q136 PolarHBondContact O-N 3.38Å; L132-Q136 VanDerWaalsContact O-N 3.12Å; R133-Q136 WeakPolarHBondContact O-CB 3.48Å; R133-Q136 PolarHBondContact O-N 3.27Å; R133-Q136 VanDerWaalsContact O-N 3.12Å; Q136-G140 PolarHBondContact NE2-O 3.27Å; Q136-W142 HydrophobicContact CB-CD2 4.48Å; Q136-W142 HydrophobicContact CB-CH2 4.05Å; Q136-W142 HydrophobicContact CB-CZ2 3.4Å; Q136-W142 VanDerWaalsContact CD-CH2 3.49Å; Q136-W142 HydrophobicContact CG-CD2 4.2Å; Q136-W142 HydrophobicContact CG-CE3 4.28Å; Q136-W142 HydrophobicContact CG-CH2 3.54Å; Q136-W142 HydrophobicContact CG-CZ2 3.41Å; Q136-W142 VanDerWaalsContact CG-CZ2 3.41Å; Q136-W142 HydrophobicContact CG-CZ3 3.98Å; Q136-W142 VanDerWaalsContact NE2-CH2 3.28Å; Q136-D173 PolarHBondContact NE2-O 2.98Å | ||
| 137 | L | 98.7 | Very high | 98.7 | Very high | 8 Ų | 8 | 14.9 Ų | 14.9 | 4% | 0.042 | 8% | 0.079 | C | C | . | . | trans | -73.5 | 158.6 | 178.4 | -66.8 | 170.8 | 0 | 0 | 0 | 111.2 | R9 V135 D139 G140 G141 | R9-L137 HydrophobicContact CB-CD2 4.16Å; V135-L137 PolarHBondContact O-N 2.86Å; L137-D139 WeakPolarHBondContact CB-OD1 3.42Å; L137-D139 PolarHBondContact O-N 3.34Å; L137-D139 VanDerWaalsContact O-N 3.1Å; L137-G140 PolarHBondContact O-N 3.29Å; L137-G141 WeakPolarHBondContact CB-O 3.23Å; L137-G141 PolarHBondContact N-O 2.8Å | ||
| 138 | P | 98 | Very high | 98.6 | Very high | 66 Ų | 66 | 15.7 Ų | 15.7 | 43% | 0.429 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -26.7 | 178.5 | -27.1 | 36.6 | 0 | 0 | 0 | 114.4 | T5 G140 | T5-P138 HydrophobicContact CG2-CB 4.33Å; P138-G140 PolarHBondContact O-N 2.98Å |
| 139 | D | 97.5 | Very high | 98.6 | Very high | 43 Ų | 43 | 20.3 Ų | 20.3 | 23% | 0.23 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 3.2 | 177.1 | 74.7 | -9.7 | 0 | 0 | 0 | 114 | L137 G141 S150 N180 | L137-D139 WeakPolarHBondContact CB-OD1 3.42Å; L137-D139 PolarHBondContact O-N 3.34Å; L137-D139 VanDerWaalsContact O-N 3.1Å; D139-G141 PolarHBondContact OD1-N 2.94Å; D139-S150 VanDerWaalsContact OD2-CB 3.31Å; D139-S150 WeakPolarHBondContact OD2-CB 3.36Å; D139-S150 PolarHBondContact OD2-OG 3.39Å; D139-N180 PolarHBondContact O-ND2 2.92Å; D139-N180 PolarHBondContact OD1-ND2 2.98Å; D139-N180 PolarHBondContact OD2-ND2 3.38Å; D139-N180 VanDerWaalsContact OD2-ND2 3.11Å |
| 140 | G | 98.3 | Very high | 98.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 88.4 | -6.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q136 L137 P138 W142 A177 | Q136-G140 PolarHBondContact NE2-O 3.27Å; L137-G140 PolarHBondContact O-N 3.29Å; P138-G140 PolarHBondContact O-N 2.98Å; G140-W142 WeakPolarHBondContact O-CZ3 3.29Å; G140-A177 WeakPolarHBondContact O-CA 3.42Å; G140-A177 VanDerWaalsContact O-CB 3.3Å; G140-A177 WeakPolarHBondContact O-CB 3.5Å |
| 141 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -98.6 | -176.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | L137 D139 T155 | L137-G141 WeakPolarHBondContact CB-O 3.23Å; L137-G141 PolarHBondContact N-O 2.8Å; D139-G141 PolarHBondContact OD1-N 2.94Å; G141-T155 WeakPolarHBondContact CA-OG1 3.39Å | ||
| 142 | W | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -136.5 | 153 | 170 | -67.8 | -97.8 | 0 | 0 | 0 | 109 | L103 L132 Q136 G140 S150 T151 G154 T155 S158 L162 A177 | L103-W142 HydrophobicContact CD1-CB 4.15Å; L132-W142 WeakPolarHBondContact O-CZ2 3.26Å; L132-W142 PolarHBondContact O-NE1 3.23Å; Q136-W142 HydrophobicContact CB-CD2 4.48Å; Q136-W142 HydrophobicContact CB-CH2 4.05Å; Q136-W142 HydrophobicContact CB-CZ2 3.4Å; Q136-W142 VanDerWaalsContact CD-CH2 3.49Å; Q136-W142 HydrophobicContact CG-CD2 4.2Å; Q136-W142 HydrophobicContact CG-CE3 4.28Å; Q136-W142 HydrophobicContact CG-CH2 3.54Å; Q136-W142 HydrophobicContact CG-CZ2 3.41Å; Q136-W142 VanDerWaalsContact CG-CZ2 3.41Å; Q136-W142 HydrophobicContact CG-CZ3 3.98Å; Q136-W142 VanDerWaalsContact NE2-CH2 3.28Å; G140-W142 WeakPolarHBondContact O-CZ3 3.29Å; W142-S150 WeakPolarHBondContact O-CA 3.39Å; W142-T151 PolarHBondContact O-N 2.96Å; W142-G154 CarbonylContact O-C 3.51Å; W142-G154 WeakPolarHBondContact O-CA 3.13Å; W142-T155 HydrophobicContact CE3-CG2 4.41Å; W142-T155 PolarHBondContact N-OG1 3.03Å; W142-T155 PolarHBondContact O-N 3.3Å; W142-T155 PolarHBondContact O-OG1 2.79Å; W142-T155 VanDerWaalsContact O-OG1 3.11Å; W142-S158 VanDerWaalsContact CD2-CB 3.47Å; W142-L162 HydrophobicContact CH2-CD1 3.78Å; W142-L162 HydrophobicContact CZ2-CD1 4.01Å; W142-A177 HydrophobicContact CH2-CB 4.34Å; W142-A177 HydrophobicContact CZ3-CB 3.66Å | ||
| 143 | G | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | trans | -108 | -158.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H145 K149 G154 | G143-H145 VanDerWaalsContact C-N 3.34Å; G143-K149 WeakPolarHBondContact CA-O 3.43Å; G143-K149 PolarHBondContact N-O 3.02Å; G143-G154 WeakPolarHBondContact O-CA 3.3Å | ||
| 144 | L | 98.8 | Very high | 98.6 | Very high | 12 Ų | 12 | 15.6 Ų | 15.6 | 6% | 0.063 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -68.3 | -34.9 | 178 | -175.6 | 67.1 | 0 | 0 | 0 | 112.2 | L103 F104 D148 F153 V521 F522 S700 C701 | L103-L144 PolarHBondContact N-O 2.59Å; F104-L144 HydrophobicContact CD1-CD1 3.49Å; F104-L144 VanDerWaalsContact CD1-CD1 3.49Å; F104-L144 HydrophobicContact CD1-CG 4.28Å; F104-L144 WeakPolarHBondContact CD1-O 3.49Å; F104-L144 HydrophobicContact CE1-CD1 3.54Å; F104-L144 HydrophobicContact CE1-CG 4.05Å; L144-D148 WeakPolarHBondContact CB-OD2 3.49Å; L144-D148 PolarHBondContact N-OD2 3.42Å; L144-F153 HydrophobicContact CD1-CD1 3.73Å; L144-F153 HydrophobicContact CD1-CE1 3.76Å; L144-V521 HydrophobicContact CD1-CB 4.32Å; L144-V521 HydrophobicContact CD1-CG2 4.12Å; L144-V521 HydrophobicContact CD2-CB 4.41Å; L144-F522 HydrophobicContact CD1-CE1 4.22Å; L144-F522 HydrophobicContact CD1-CZ 4.29Å; L144-F522 HydrophobicContact CD2-CE1 4.11Å; L144-S700 WeakPolarHBondContact CD2-O 3.28Å; L144-C701 HydrophobicContact CD2-CB 4.17Å |
| 145 | H | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | B | Isolated β-bridge | trans | -146.7 | 173.4 | -179.3 | 58.8 | 88 | 0 | 0 | 0 | 111.5 | G101 G143 E147 D148 F634 S700 A702 | G101-H145 CarbonylContact O-C 3.6Å; G101-H145 WeakPolarHBondContact O-CA 3.32Å; G101-H145 WeakPolarHBondContact O-CB 3.29Å; G143-H145 VanDerWaalsContact C-N 3.34Å; H145-E147 VanDerWaalsContact C-N 3.29Å; H145-E147 PolarHBondContact ND1-N 2.76Å; H145-E147 PolarHBondContact O-N 3.04Å; H145-D148 VanDerWaalsContact O-CB 3.23Å; H145-D148 WeakPolarHBondContact O-CB 3.36Å; H145-D148 PolarHBondContact O-N 3.44Å; H145-F634 AromaticContact CE1-CD1 3.63Å; H145-F634 AromaticContact CE1-CE1 3.54Å; H145-F634 AromaticContact NE2-CD1 3.81Å; H145-F634 AromaticContact NE2-CE1 3.27Å; H145-F634 VanDerWaalsContact NE2-CE1 3.27Å; H145-F634 WeakPolarHBondContact NE2-CE1 3.48Å; H145-F634 AromaticContact NE2-CZ 3.83Å; H145-S700 PolarHBondContact CD2-O 2.88Å; H145-S700 PolarHBondContact NE2-O 3.29Å; H145-A702 HydrophobicContact CB-CB 4.13Å; H145-A702 VanDerWaalsContact ND1-CB 3.3Å; H145-A702 WeakPolarHBondContact ND1-CB 3.4Å |
| 146 | I | 98.6 | Very high | 98.6 | Very high | 18 Ų | 18 | 13.9 Ų | 13.9 | 9% | 0.092 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -25.6 | -172.1 | 60.9 | 171.2 | 0 | 0 | 0 | 115.7 | R9 G101 L103 V135 I693 | R9-I146 VanDerWaalsContact O-O 3.08Å; G101-I146 WeakPolarHBondContact O-CG2 3.46Å; G101-I146 PolarHBondContact O-N 2.91Å; L103-I146 HydrophobicContact CD2-CG2 4.13Å; V135-I146 HydrophobicContact CG1-CG2 4.25Å; I146-I693 HydrophobicContact CD1-CD1 3.96Å; I146-I693 HydrophobicContact CG1-CD1 3.94Å |
| 147 | E | 98.5 | Very high | 98.6 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 4.7 | 174.4 | -61.8 | -149.4 | 171.1 | 0 | 0 | 113.1 | R8 R10 G11 H145 N692 I693 | R8-E147 WeakPolarHBondContact CD-O 3.25Å; R8-E147 PolarHBondContact NH1-O 2.96Å; R10-E147 IonicContact NH1-OE2 3.83Å; R10-E147 PolarHBondContact NH1-OE2 3.06Å; G11-E147 PolarHBondContact N-OE1 3.44Å; H145-E147 VanDerWaalsContact C-N 3.29Å; H145-E147 PolarHBondContact ND1-N 2.76Å; H145-E147 PolarHBondContact O-N 3.04Å; E147-N692 WeakPolarHBondContact OE1-CA 3.49Å; E147-I693 HydrophobicContact CB-CG2 4.49Å; E147-I693 HydrophobicContact CG-CB 4.18Å; E147-I693 HydrophobicContact CG-CG2 3.75Å; E147-I693 PolarHBondContact OE1-N 2.91Å |
| 148 | D | 98.5 | Very high | 98.6 | Very high | 18 Ų | 18 | 13.1 Ų | 13.1 | 10% | 0.096 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -79.4 | 164.6 | -177.4 | -159.4 | 14.3 | 0 | 0 | 0 | 112.8 | R8 L144 H145 | R8-D148 IonicContact CZ-OD1 3.47Å; R8-D148 VanDerWaalsContact NH1-C 3.29Å; R8-D148 IonicContact NH1-OD1 3.95Å; R8-D148 PolarHBondContact NH1-OD1 3.26Å; L144-D148 WeakPolarHBondContact CB-OD2 3.49Å; L144-D148 PolarHBondContact N-OD2 3.42Å; H145-D148 VanDerWaalsContact O-CB 3.23Å; H145-D148 WeakPolarHBondContact O-CB 3.36Å; H145-D148 PolarHBondContact O-N 3.44Å |
| 149 | K | 98.5 | Very high | 98.7 | Very high | 96 Ų | 96 | 10 Ų | 10 | 42% | 0.417 | 5% | 0.05 | S | C | . | . | P | Polyproline II helix | trans | -79.1 | 167.4 | 164.7 | -68.7 | 175.1 | -175.8 | 171.1 | 0 | 109.1 | L7 R8 G143 T151 | L7-K149 HydrophobicContact CB-CG 4.32Å; R8-K149 HydrophobicContact CG-CG 3.56Å; G143-K149 WeakPolarHBondContact CA-O 3.43Å; G143-K149 PolarHBondContact N-O 3.02Å; K149-T151 PolarHBondContact O-N 2.81Å |
| 150 | S | 98.5 | Very high | 98.7 | Very high | 11 Ų | 11 | 8 Ų | 8 | 8% | 0.077 | 4% | 0.04 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 133.6 | 174.6 | 63.1 | 0 | 0 | 0 | 0 | 111.5 | D139 W142 K184 | D139-S150 VanDerWaalsContact OD2-CB 3.31Å; D139-S150 WeakPolarHBondContact OD2-CB 3.36Å; D139-S150 PolarHBondContact OD2-OG 3.39Å; W142-S150 WeakPolarHBondContact O-CA 3.39Å; S150-K184 WeakPolarHBondContact O-CE 3.37Å; S150-K184 WeakPolarHBondContact OG-CE 3.46Å; S150-K184 PolarHBondContact OG-NZ 3.12Å |
| 151 | T | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 8 Ų | 8 | 3% | 0.025 | 4% | 0.04 | C | C | . | . | trans | -128.2 | 171.9 | 177 | 80.9 | 0 | 0 | 0 | 0 | 111.4 | W142 K149 F153 G154 T155 D285 | W142-T151 PolarHBondContact O-N 2.96Å; K149-T151 PolarHBondContact O-N 2.81Å; T151-F153 PolarHBondContact OG1-N 3.39Å; T151-G154 PolarHBondContact OG1-N 3.12Å; T151-T155 WeakPolarHBondContact O-CB 3.31Å; T151-T155 PolarHBondContact O-N 3.46Å; T151-T155 PolarHBondContact O-OG1 3.31Å; T151-D285 WeakPolarHBondContact CB-OD1 3.2Å; T151-D285 PolarHBondContact OG1-OD1 3.26Å | ||
| 152 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -69.5 | -39.8 | 174.6 | 178.3 | 0 | 0 | 0 | 0 | 109.7 | A156 L181 K184 I190 A282 D285 | V152-A156 WeakPolarHBondContact O-CB 3.33Å; V152-A156 PolarHBondContact O-N 3.46Å; V152-L181 HydrophobicContact CG1-CD1 3.86Å; V152-K184 HydrophobicContact CG2-CB 3.64Å; V152-K184 HydrophobicContact CG2-CD 4.13Å; V152-I190 HydrophobicContact CG1-CB 3.91Å; V152-I190 HydrophobicContact CG1-CG1 4.2Å; V152-A282 HydrophobicContact CB-CB 4.19Å; V152-A282 HydrophobicContact CG2-CB 3.53Å; V152-D285 VanDerWaalsContact CB-OD2 3.31Å; V152-D285 WeakPolarHBondContact CB-OD2 3.2Å; V152-D285 PolarHBondContact N-OD2 2.98Å |
| 153 | F | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 0% | 0.004 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.8 | -56.2 | -179.1 | -169.3 | -147.6 | 0 | 0 | 0 | 112.8 | F104 L144 T151 L157 I190 P191 W193 G194 D285 V521 | F104-F153 HydrophobicContact CB-CE1 3.66Å; F104-F153 HydrophobicContact CB-CE2 4.44Å; F104-F153 HydrophobicContact CB-CZ 3.6Å; F104-F153 HydrophobicContact CD1-CE1 4.07Å; F104-F153 AromaticContact CG-CE1 3.94Å; F104-F153 HydrophobicContact CG-CE1 3.94Å; F104-F153 HydrophobicContact CG-CZ 4.16Å; L144-F153 HydrophobicContact CD1-CD1 3.73Å; L144-F153 HydrophobicContact CD1-CE1 3.76Å; T151-F153 PolarHBondContact OG1-N 3.39Å; F153-L157 HydrophobicContact CD2-CD1 3.69Å; F153-L157 HydrophobicContact CD2-CG 4.22Å; F153-L157 HydrophobicContact CE2-CD1 3.3Å; F153-L157 HydrophobicContact CE2-CG 4.27Å; F153-L157 HydrophobicContact CZ-CD1 4.08Å; F153-L157 WeakPolarHBondContact O-CB 3.49Å; F153-L157 WeakPolarHBondContact O-CG 3.25Å; F153-L157 PolarHBondContact O-N 3.3Å; F153-I190 HydrophobicContact CD2-CD1 4.28Å; F153-I190 HydrophobicContact CD2-CG1 4.11Å; F153-P191 HydrophobicContact CB-CG 3.9Å; F153-P191 HydrophobicContact CG-CG 4.2Å; F153-W193 HydrophobicContact CE2-CB 4.21Å; F153-W193 HydrophobicContact CZ-CB 3.91Å; F153-G194 VanDerWaalsContact CE2-N 3.35Å; F153-D285 WeakPolarHBondContact CB-OD1 3.2Å; F153-D285 PolarHBondContact N-OD1 3.45Å; F153-D285 VanDerWaalsContact N-OD1 3.16Å; F153-V521 HydrophobicContact CD1-CG1 4.38Å; F153-V521 HydrophobicContact CE1-CG2 4.49Å |
| 154 | G | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 10.8 Ų | 10.8 | 3% | 0.031 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.1 | -49.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | W142 G143 T151 L157 S158 | W142-G154 CarbonylContact O-C 3.51Å; W142-G154 WeakPolarHBondContact O-CA 3.13Å; G143-G154 WeakPolarHBondContact O-CA 3.3Å; T151-G154 PolarHBondContact OG1-N 3.12Å; G154-L157 PolarHBondContact O-N 3.31Å; G154-S158 VanDerWaalsContact O-CB 3.28Å; G154-S158 WeakPolarHBondContact O-CB 3.23Å; G154-S158 PolarHBondContact O-N 2.78Å; G154-S158 PolarHBondContact O-OG 2.8Å; G154-S158 VanDerWaalsContact O-OG 3.1Å |
| 155 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -65.7 | -46.3 | -173.6 | -52.3 | 0 | 0 | 0 | 0 | 112.9 | G141 W142 T151 L157 Y159 A177 L181 | G141-T155 WeakPolarHBondContact CA-OG1 3.39Å; W142-T155 HydrophobicContact CE3-CG2 4.41Å; W142-T155 PolarHBondContact N-OG1 3.03Å; W142-T155 PolarHBondContact O-N 3.3Å; W142-T155 PolarHBondContact O-OG1 2.79Å; W142-T155 VanDerWaalsContact O-OG1 3.11Å; T151-T155 WeakPolarHBondContact O-CB 3.31Å; T151-T155 PolarHBondContact O-N 3.46Å; T151-T155 PolarHBondContact O-OG1 3.31Å; T155-L157 PolarHBondContact O-N 3.47Å; T155-Y159 WeakPolarHBondContact O-CB 3.49Å; T155-Y159 PolarHBondContact O-N 2.98Å; T155-A177 HydrophobicContact CG2-CB 4.35Å; T155-A177 WeakPolarHBondContact CG2-O 3.48Å; T155-L181 HydrophobicContact CG2-CB 3.98Å |
| 156 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V152 T160 L181 A187 I190 | V152-A156 WeakPolarHBondContact O-CB 3.33Å; V152-A156 PolarHBondContact O-N 3.46Å; A156-T160 WeakPolarHBondContact O-CB 3.44Å; A156-T160 PolarHBondContact O-N 3.45Å; A156-T160 PolarHBondContact O-OG1 2.97Å; A156-L181 HydrophobicContact CB-CD1 4.01Å; A156-L181 HydrophobicContact CB-CD2 4.12Å; A156-A187 HydrophobicContact CB-CB 4.42Å; A156-I190 HydrophobicContact CB-CD1 3.85Å |
| 157 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -73.6 | -40.6 | -177.9 | -70.6 | -168.6 | 0 | 0 | 0 | 113.2 | P107 F153 G154 T155 T160 S161 I190 W197 L198 | P107-L157 HydrophobicContact CB-CB 3.7Å; P107-L157 HydrophobicContact CB-CD1 4.2Å; P107-L157 HydrophobicContact CB-CG 4.37Å; P107-L157 HydrophobicContact CG-CB 3.73Å; F153-L157 HydrophobicContact CD2-CD1 3.69Å; F153-L157 HydrophobicContact CD2-CG 4.22Å; F153-L157 HydrophobicContact CE2-CD1 3.3Å; F153-L157 HydrophobicContact CE2-CG 4.27Å; F153-L157 HydrophobicContact CZ-CD1 4.08Å; F153-L157 WeakPolarHBondContact O-CB 3.49Å; F153-L157 WeakPolarHBondContact O-CG 3.25Å; F153-L157 PolarHBondContact O-N 3.3Å; G154-L157 PolarHBondContact O-N 3.31Å; T155-L157 PolarHBondContact O-N 3.47Å; L157-T160 PolarHBondContact O-N 3.25Å; L157-S161 WeakPolarHBondContact O-CB 3.34Å; L157-S161 PolarHBondContact O-N 3.43Å; L157-S161 PolarHBondContact O-OG 2.78Å; L157-I190 HydrophobicContact CD2-CD1 4.38Å; L157-I190 HydrophobicContact CG-CD1 4.34Å; L157-W197 HydrophobicContact CD2-CB 4.22Å; L157-L198 HydrophobicContact CD2-CD2 4.03Å; L157-L198 HydrophobicContact CD2-CG 4.34Å |
| 158 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.6 | -38.1 | 174.8 | -62.7 | 0 | 0 | 0 | 0 | 112.1 | W142 G154 S161 L162 | W142-S158 VanDerWaalsContact CD2-CB 3.47Å; G154-S158 VanDerWaalsContact O-CB 3.28Å; G154-S158 WeakPolarHBondContact O-CB 3.23Å; G154-S158 PolarHBondContact O-N 2.78Å; G154-S158 PolarHBondContact O-OG 2.8Å; G154-S158 VanDerWaalsContact O-OG 3.1Å; S158-S161 WeakPolarHBondContact O-CB 3.25Å; S158-S161 PolarHBondContact O-N 3.47Å; S158-L162 PolarHBondContact O-N 2.97Å |
| 159 | Y | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.3 | -51.6 | 170.6 | 179 | -85.4 | 0 | 0 | 0 | 110.7 | T155 S161 L162 R163 L174 A177 R178 L260 E263 L264 | T155-Y159 WeakPolarHBondContact O-CB 3.49Å; T155-Y159 PolarHBondContact O-N 2.98Å; Y159-S161 VanDerWaalsContact C-N 3.27Å; Y159-S161 PolarHBondContact O-N 2.72Å; Y159-L162 PolarHBondContact O-N 3.32Å; Y159-R163 HydrophobicContact CD1-CG 3.93Å; Y159-R163 HydrophobicContact CE1-CG 3.58Å; Y159-R163 WeakPolarHBondContact O-CG 3.34Å; Y159-R163 PolarHBondContact O-N 2.93Å; Y159-L174 HydrophobicContact CD2-CB 4.25Å; Y159-L174 HydrophobicContact CD2-CD2 3.87Å; Y159-L174 HydrophobicContact CD2-CG 4.48Å; Y159-L174 HydrophobicContact CE2-CB 3.78Å; Y159-L174 HydrophobicContact CE2-CD1 4.3Å; Y159-L174 HydrophobicContact CE2-CD2 4.21Å; Y159-L174 HydrophobicContact CE2-CG 4.33Å; Y159-L174 WeakPolarHBondContact CE2-O 3.14Å; Y159-A177 HydrophobicContact CD2-CB 3.93Å; Y159-R178 HydrophobicContact CE2-CB 3.88Å; Y159-R178 PolarHBondContact OH-NH1 3.06Å; Y159-L260 HydrophobicContact CD1-CD2 4.34Å; Y159-L260 HydrophobicContact CE1-CD2 4.01Å; Y159-E263 HydrophobicContact CE1-CB 4.08Å; Y159-E263 WeakPolarHBondContact CE1-OE2 3.12Å; Y159-E263 VanDerWaalsContact CZ-OE2 3.24Å; Y159-E263 PolarHBondContact OH-OE2 2.9Å; Y159-L264 HydrophobicContact CD1-CD2 3.69Å; Y159-L264 HydrophobicContact CE1-CD2 4.14Å |
| 160 | T | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.8 | -40.7 | 179.4 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | A156 L157 R163 I164 L201 L260 | A156-T160 WeakPolarHBondContact O-CB 3.44Å; A156-T160 PolarHBondContact O-N 3.45Å; A156-T160 PolarHBondContact O-OG1 2.97Å; L157-T160 PolarHBondContact O-N 3.25Å; T160-R163 PolarHBondContact O-N 3.42Å; T160-I164 HydrophobicContact CG2-CD1 4.04Å; T160-I164 WeakPolarHBondContact O-CG1 3.49Å; T160-I164 PolarHBondContact O-N 2.93Å; T160-L201 HydrophobicContact CG2-CD2 3.36Å; T160-L260 HydrophobicContact CG2-CD1 4.12Å |
| 161 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.5 | -46.5 | 177.1 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | P107 L157 S158 Y159 R163 I164 L165 | P107-S161 VanDerWaalsContact CA-OG 3.24Å; P107-S161 WeakPolarHBondContact CA-OG 3.13Å; P107-S161 WeakPolarHBondContact CB-OG 3.45Å; P107-S161 WeakPolarHBondContact CG-OG 3.48Å; L157-S161 WeakPolarHBondContact O-CB 3.34Å; L157-S161 PolarHBondContact O-N 3.43Å; L157-S161 PolarHBondContact O-OG 2.78Å; S158-S161 WeakPolarHBondContact O-CB 3.25Å; S158-S161 PolarHBondContact O-N 3.47Å; Y159-S161 VanDerWaalsContact C-N 3.27Å; Y159-S161 PolarHBondContact O-N 2.72Å; S161-R163 VanDerWaalsContact C-N 3.33Å; S161-R163 PolarHBondContact O-N 3.5Å; S161-I164 PolarHBondContact O-N 3.35Å; S161-L165 WeakPolarHBondContact O-CG 3.28Å; S161-L165 PolarHBondContact O-N 3.25Å |
| 162 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.7 | -37.8 | 177.3 | -76.4 | 167 | 0 | 0 | 0 | 111.9 | V129 L132 W142 S158 Y159 L165 G166 V167 L174 | V129-L162 HydrophobicContact CB-CD2 4.32Å; V129-L162 HydrophobicContact CG1-CD2 3.98Å; V129-L162 HydrophobicContact CG2-CD2 4.29Å; L132-L162 HydrophobicContact CB-CD1 4.24Å; L132-L162 HydrophobicContact CB-CD2 3.93Å; L132-L162 HydrophobicContact CB-CG 4.07Å; L132-L162 HydrophobicContact CD1-CD2 4.07Å; L132-L162 HydrophobicContact CD1-CG 3.89Å; W142-L162 HydrophobicContact CH2-CD1 3.78Å; W142-L162 HydrophobicContact CZ2-CD1 4.01Å; S158-L162 PolarHBondContact O-N 2.97Å; Y159-L162 PolarHBondContact O-N 3.32Å; L162-L165 CarbonylContact O-C 3.58Å; L162-L165 PolarHBondContact O-N 3Å; L162-G166 PolarHBondContact O-N 2.88Å; L162-V167 HydrophobicContact CB-CB 4.28Å; L162-V167 HydrophobicContact CB-CG2 4.29Å; L162-V167 HydrophobicContact CD2-CG2 4.05Å; L162-V167 WeakPolarHBondContact O-CB 3.38Å; L162-V167 PolarHBondContact O-N 3.4Å; L162-L174 HydrophobicContact CB-CD1 4.27Å; L162-L174 HydrophobicContact CB-CD2 3.83Å; L162-L174 HydrophobicContact CD1-CD2 3.53Å; L162-L174 HydrophobicContact CG-CD2 4.32Å |
| 163 | R | 98.9 | Very high | 98.8 | Very high | 27 Ų | 27 | 26.8 Ų | 26.8 | 10% | 0.102 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.8 | -43.1 | 174.7 | -61.9 | -69.1 | -66.7 | 114.1 | -0.8 | 112 | Y159 T160 S161 L165 G166 V167 P169 L174 L256 L260 E263 | Y159-R163 HydrophobicContact CD1-CG 3.93Å; Y159-R163 HydrophobicContact CE1-CG 3.58Å; Y159-R163 WeakPolarHBondContact O-CG 3.34Å; Y159-R163 PolarHBondContact O-N 2.93Å; T160-R163 PolarHBondContact O-N 3.42Å; S161-R163 VanDerWaalsContact C-N 3.33Å; S161-R163 PolarHBondContact O-N 3.5Å; R163-L165 VanDerWaalsContact C-N 3.28Å; R163-L165 PolarHBondContact O-N 3.34Å; R163-G166 PolarHBondContact O-N 3.15Å; R163-V167 WeakPolarHBondContact CD-O 3.47Å; R163-V167 PolarHBondContact NH1-O 2.86Å; R163-P169 VanDerWaalsContact CZ-CD 3.41Å; R163-L174 HydrophobicContact CG-CD1 3.95Å; R163-L256 HydrophobicContact CB-CD1 3.9Å; R163-L260 HydrophobicContact CB-CD2 4Å; R163-L260 HydrophobicContact CG-CD2 3.92Å; R163-E263 IonicContact CZ-OE1 2.98Å; R163-E263 IonicContact CZ-OE2 3.29Å; R163-E263 IonicContact NE-OE1 3.3Å; R163-E263 PolarHBondContact NE-OE1 3.28Å; R163-E263 IonicContact NE-OE2 3.03Å; R163-E263 PolarHBondContact NE-OE2 2.78Å; R163-E263 IonicContact NH2-OE1 2.93Å; R163-E263 PolarHBondContact NH2-OE1 2.83Å; R163-E263 VanDerWaalsContact NH2-OE1 3.09Å; R163-E263 IonicContact NH2-OE2 2.7Å |
| 164 | I | 98.9 | Very high | 98.8 | Very high | 32 Ų | 32 | 26.8 Ų | 26.8 | 16% | 0.164 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -38 | 173.4 | -72.4 | 169.1 | 0 | 0 | 0 | 111.5 | L110 I111 H114 T160 S161 G166 L201 L256 | L110-I164 HydrophobicContact CB-CG2 4.2Å; I111-I164 HydrophobicContact CG1-CD1 3.8Å; H114-I164 HydrophobicContact CB-CD1 4.35Å; H114-I164 HydrophobicContact CB-CG1 4.47Å; H114-I164 HydrophobicContact CB-CG2 3.94Å; T160-I164 HydrophobicContact CG2-CD1 4.04Å; T160-I164 WeakPolarHBondContact O-CG1 3.49Å; T160-I164 PolarHBondContact O-N 2.93Å; S161-I164 PolarHBondContact O-N 3.35Å; I164-G166 PolarHBondContact O-N 3.23Å; I164-L201 HydrophobicContact CD1-CD1 4.46Å; I164-L201 HydrophobicContact CD1-CD2 4.36Å; I164-L256 HydrophobicContact CB-CD2 4.49Å; I164-L256 HydrophobicContact CG1-CD2 3.92Å |
| 165 | L | 98.8 | Very high | 98.8 | Very high | 26 Ų | 26 | 28.8 Ų | 28.8 | 14% | 0.136 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -1.5 | 176.4 | -71 | 167.7 | 0 | 0 | 0 | 113.7 | L110 K125 M128 V129 L132 S161 L162 R163 | L110-L165 HydrophobicContact CD1-CD1 3.78Å; L110-L165 HydrophobicContact CD1-CG 4.03Å; L110-L165 HydrophobicContact CD2-CD1 4.48Å; L110-L165 HydrophobicContact CD2-CD2 3.77Å; L110-L165 HydrophobicContact CD2-CG 4.12Å; K125-L165 HydrophobicContact CB-CD2 3.97Å; K125-L165 HydrophobicContact CD-CD2 4.48Å; K125-L165 HydrophobicContact CG-CD2 3.9Å; M128-L165 HydrophobicContact CB-CD1 3.92Å; V129-L165 HydrophobicContact CG2-CB 3.65Å; V129-L165 HydrophobicContact CG2-CD1 3.79Å; V129-L165 HydrophobicContact CG2-CG 4.26Å; L132-L165 HydrophobicContact CD1-CD1 4.28Å; S161-L165 WeakPolarHBondContact O-CG 3.28Å; S161-L165 PolarHBondContact O-N 3.25Å; L162-L165 CarbonylContact O-C 3.58Å; L162-L165 PolarHBondContact O-N 3Å; R163-L165 VanDerWaalsContact C-N 3.28Å; R163-L165 PolarHBondContact O-N 3.34Å |
| 166 | G | 98.3 | Very high | 98.8 | Very high | 64 Ų | 64 | 33.5 Ų | 33.5 | 66% | 0.66 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.9 | 11.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L162 R163 I164 | L162-G166 PolarHBondContact O-N 2.88Å; R163-G166 PolarHBondContact O-N 3.15Å; I164-G166 PolarHBondContact O-N 3.23Å |
| 167 | V | 98.8 | Very high | 98.8 | Very high | 14 Ų | 14 | 33.5 Ų | 33.5 | 9% | 0.085 | 19% | 0.193 | C | C | . | . | trans | -74.5 | 128.5 | 174.8 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | V129 R133 L162 R163 D171 L174 | V129-V167 HydrophobicContact CG1-CG2 4.03Å; V129-V167 HydrophobicContact CG2-CG2 4.2Å; R133-V167 VanDerWaalsContact NH2-CG1 3.26Å; L162-V167 HydrophobicContact CB-CB 4.28Å; L162-V167 HydrophobicContact CB-CG2 4.29Å; L162-V167 HydrophobicContact CD2-CG2 4.05Å; L162-V167 WeakPolarHBondContact O-CB 3.38Å; L162-V167 PolarHBondContact O-N 3.4Å; R163-V167 WeakPolarHBondContact CD-O 3.47Å; R163-V167 PolarHBondContact NH1-O 2.86Å; V167-D171 HydrophobicContact CG1-CB 3.58Å; V167-L174 HydrophobicContact CB-CD1 4.02Å; V167-L174 HydrophobicContact CG1-CD1 3.66Å; V167-L174 HydrophobicContact CG1-CG 3.92Å | ||
| 168 | D | 98.5 | Very high | 98.8 | Very high | 92 Ų | 92 | 35.4 Ų | 35.4 | 49% | 0.492 | 20% | 0.2 | S | C | . | . | trans | -62.9 | 143 | -177.2 | -167.4 | -84.1 | 0 | 0 | 0 | 112.9 | D170 D171 | D168-D170 PolarHBondContact O-N 2.93Å; D168-D170 WeakPolarHBondContact OD1-CB 3.18Å; D168-D170 PolarHBondContact OD1-N 3.01Å; D168-D171 WeakPolarHBondContact O-CB 3.38Å; D168-D171 PolarHBondContact O-N 2.68Å | ||
| 169 | P | 98.5 | Very high | 98.8 | Very high | 23 Ų | 23 | 40.1 Ų | 40.1 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.6 | -178.3 | 29 | -33.3 | 0 | 0 | 0 | 113.4 | R163 R178 E263 | R163-P169 VanDerWaalsContact CZ-CD 3.41Å; P169-R178 PolarHBondContact O-NH1 2.58Å; P169-R178 PolarHBondContact O-NH2 2.89Å; P169-E263 HydrophobicContact CB-CG 4.49Å |
| 170 | D | 98.6 | Very high | 98.8 | Very high | 120 Ų | 120 | 41 Ų | 41 | 64% | 0.642 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 3.6 | 175.5 | -63.8 | -35.2 | 0 | 0 | 0 | 112.9 | D168 | D168-D170 PolarHBondContact O-N 2.93Å; D168-D170 WeakPolarHBondContact OD1-CB 3.18Å; D168-D170 PolarHBondContact OD1-N 3.01Å |
| 171 | D | 98.8 | Very high | 98.8 | Very high | 36 Ų | 36 | 41 Ų | 41 | 19% | 0.193 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -55.1 | 132.9 | 169.2 | -177.6 | -75.6 | 0 | 0 | 0 | 110.3 | R133 V167 D168 D173 L174 V175 | R133-D171 IonicContact CZ-OD1 3.6Å; R133-D171 IonicContact CZ-OD2 2.64Å; R133-D171 IonicContact NH1-OD1 2.83Å; R133-D171 PolarHBondContact NH1-OD1 3.31Å; R133-D171 IonicContact NH1-OD2 2.92Å; R133-D171 PolarHBondContact NH1-OD2 2.89Å; R133-D171 IonicContact NH2-OD1 3.68Å; R133-D171 IonicContact NH2-OD2 3.86Å; R133-D171 PolarHBondContact NH2-OD2 3.28Å; V167-D171 HydrophobicContact CG1-CB 3.58Å; D168-D171 WeakPolarHBondContact O-CB 3.38Å; D168-D171 PolarHBondContact O-N 2.68Å; D171-D173 PolarHBondContact O-N 2.89Å; D171-D173 VanDerWaalsContact O-N 3.1Å; D171-D173 WeakPolarHBondContact OD1-CB 3.47Å; D171-D173 PolarHBondContact OD1-N 3.19Å; D171-L174 HydrophobicContact CB-CB 4.26Å; D171-L174 HydrophobicContact CB-CG 4.28Å; D171-L174 PolarHBondContact O-N 3.45Å; D171-V175 WeakPolarHBondContact O-CG2 3.3Å; D171-V175 PolarHBondContact O-N 3.5Å |
| 172 | P | 98.8 | Very high | 98.7 | Very high | 91 Ų | 91 | 43.8 Ų | 43.8 | 59% | 0.591 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -55.1 | -33.8 | -175.3 | -28 | 35 | 0 | 0 | 0 | 114.6 | R176 | P172-R176 WeakPolarHBondContact O-CG 3.46Å; P172-R176 PolarHBondContact O-N 2.65Å; P172-R176 PolarHBondContact O-NH1 2.68Å |
| 173 | D | 98.7 | Very high | 98.7 | Very high | 32 Ų | 32 | 47.2 Ų | 47.2 | 17% | 0.171 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.8 | -36.8 | 178.2 | -67.2 | -13.2 | 0 | 0 | 0 | 111.3 | R133 Q136 D171 R176 A177 | R133-D173 IonicContact CZ-OD2 3.58Å; R133-D173 VanDerWaalsContact NH1-CG 3.29Å; R133-D173 IonicContact NH1-OD2 2.84Å; R133-D173 PolarHBondContact NH1-OD2 3.08Å; Q136-D173 PolarHBondContact NE2-O 2.98Å; D171-D173 PolarHBondContact O-N 2.89Å; D171-D173 VanDerWaalsContact O-N 3.1Å; D171-D173 WeakPolarHBondContact OD1-CB 3.47Å; D171-D173 PolarHBondContact OD1-N 3.19Å; D173-R176 IonicContact OD1-CZ 2.79Å; D173-R176 IonicContact OD1-NH1 2.92Å; D173-R176 PolarHBondContact OD1-NH1 2.98Å; D173-R176 IonicContact OD1-NH2 2.71Å; D173-R176 PolarHBondContact OD1-NH2 3.15Å; D173-A177 WeakPolarHBondContact O-CB 3.35Å; D173-A177 PolarHBondContact O-N 3.37Å |
| 174 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -74.7 | -33.6 | 177 | -67.8 | -159.6 | 0 | 0 | 0 | 112.6 | Y159 L162 R163 V167 D171 A177 R178 | Y159-L174 HydrophobicContact CD2-CB 4.25Å; Y159-L174 HydrophobicContact CD2-CD2 3.87Å; Y159-L174 HydrophobicContact CD2-CG 4.48Å; Y159-L174 HydrophobicContact CE2-CB 3.78Å; Y159-L174 HydrophobicContact CE2-CD1 4.3Å; Y159-L174 HydrophobicContact CE2-CD2 4.21Å; Y159-L174 HydrophobicContact CE2-CG 4.33Å; Y159-L174 WeakPolarHBondContact CE2-O 3.14Å; L162-L174 HydrophobicContact CB-CD1 4.27Å; L162-L174 HydrophobicContact CB-CD2 3.83Å; L162-L174 HydrophobicContact CD1-CD2 3.53Å; L162-L174 HydrophobicContact CG-CD2 4.32Å; R163-L174 HydrophobicContact CG-CD1 3.95Å; V167-L174 HydrophobicContact CB-CD1 4.02Å; V167-L174 HydrophobicContact CG1-CD1 3.66Å; V167-L174 HydrophobicContact CG1-CG 3.92Å; D171-L174 HydrophobicContact CB-CB 4.26Å; D171-L174 HydrophobicContact CB-CG 4.28Å; D171-L174 PolarHBondContact O-N 3.45Å; L174-A177 PolarHBondContact O-N 2.73Å; L174-R178 WeakPolarHBondContact O-CB 3.35Å; L174-R178 PolarHBondContact O-N 3.04Å |
| 175 | V | 98.9 | Very high | 98.7 | Very high | 46 Ų | 46 | 49.1 Ų | 49.1 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 171 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | D171 A177 R178 N179 | D171-V175 WeakPolarHBondContact O-CG2 3.3Å; D171-V175 PolarHBondContact O-N 3.5Å; V175-A177 PolarHBondContact O-N 2.84Å; V175-R178 PolarHBondContact O-N 3.09Å; V175-N179 WeakPolarHBondContact O-CB 3.22Å; V175-N179 PolarHBondContact O-N 3.23Å; V175-N179 PolarHBondContact O-ND2 2.92Å |
| 176 | R | 98.8 | Very high | 98.7 | Very high | 98 Ų | 98 | 47.9 Ų | 47.9 | 37% | 0.37 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 175.4 | -68.2 | -167.8 | -43.7 | -88.6 | 3.5 | 111.8 | P172 D173 N179 N180 | P172-R176 WeakPolarHBondContact O-CG 3.46Å; P172-R176 PolarHBondContact O-N 2.65Å; P172-R176 PolarHBondContact O-NH1 2.68Å; D173-R176 IonicContact OD1-CZ 2.79Å; D173-R176 IonicContact OD1-NH1 2.92Å; D173-R176 PolarHBondContact OD1-NH1 2.98Å; D173-R176 IonicContact OD1-NH2 2.71Å; D173-R176 PolarHBondContact OD1-NH2 3.15Å; R176-N179 PolarHBondContact O-N 2.9Å; R176-N180 VanDerWaalsContact O-CB 3.31Å; R176-N180 WeakPolarHBondContact O-CB 3.22Å; R176-N180 PolarHBondContact O-N 3.42Å |
| 177 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G140 W142 T155 Y159 D173 L174 V175 N180 L181 | G140-A177 WeakPolarHBondContact O-CA 3.42Å; G140-A177 VanDerWaalsContact O-CB 3.3Å; G140-A177 WeakPolarHBondContact O-CB 3.5Å; W142-A177 HydrophobicContact CH2-CB 4.34Å; W142-A177 HydrophobicContact CZ3-CB 3.66Å; T155-A177 HydrophobicContact CG2-CB 4.35Å; T155-A177 WeakPolarHBondContact CG2-O 3.48Å; Y159-A177 HydrophobicContact CD2-CB 3.93Å; D173-A177 WeakPolarHBondContact O-CB 3.35Å; D173-A177 PolarHBondContact O-N 3.37Å; L174-A177 PolarHBondContact O-N 2.73Å; V175-A177 PolarHBondContact O-N 2.84Å; A177-N180 WeakPolarHBondContact O-CB 3.5Å; A177-N180 PolarHBondContact O-N 3.27Å; A177-L181 WeakPolarHBondContact O-CB 3.45Å; A177-L181 PolarHBondContact O-N 3.01Å |
| 178 | R | 98.9 | Very high | 98.7 | Very high | 40 Ų | 40 | 44.6 Ų | 44.6 | 15% | 0.151 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 177.2 | -176.2 | 167.7 | 61.3 | -112.7 | 3.9 | 111.3 | Y159 P169 L174 V175 N180 L181 H182 E263 | Y159-R178 HydrophobicContact CE2-CB 3.88Å; Y159-R178 PolarHBondContact OH-NH1 3.06Å; P169-R178 PolarHBondContact O-NH1 2.58Å; P169-R178 PolarHBondContact O-NH2 2.89Å; L174-R178 WeakPolarHBondContact O-CB 3.35Å; L174-R178 PolarHBondContact O-N 3.04Å; V175-R178 PolarHBondContact O-N 3.09Å; R178-N180 VanDerWaalsContact C-N 3.35Å; R178-N180 PolarHBondContact O-N 3.19Å; R178-L181 PolarHBondContact O-N 2.82Å; R178-H182 WeakPolarHBondContact O-CB 3.29Å; R178-H182 PolarHBondContact O-CD2 3.27Å; R178-H182 PolarHBondContact O-N 3.41Å; R178-E263 WeakPolarHBondContact CD-O 3.46Å |
| 179 | N | 98.8 | Very high | 98.7 | Very high | 99 Ų | 99 | 40.4 Ų | 40.4 | 53% | 0.529 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 175.3 | -68.3 | -16.6 | 0 | 0 | 0 | 111.9 | V175 R176 H182 G183 | V175-N179 WeakPolarHBondContact O-CB 3.22Å; V175-N179 PolarHBondContact O-N 3.23Å; V175-N179 PolarHBondContact O-ND2 2.92Å; R176-N179 PolarHBondContact O-N 2.9Å; N179-H182 PolarHBondContact O-N 3.39Å; N179-G183 PolarHBondContact O-N 3.48Å |
| 180 | N | 98.6 | Very high | 98.7 | Very high | 20 Ų | 20 | 39.3 Ų | 39.3 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.6 | -46 | 175.2 | -175.5 | -73.8 | 0 | 0 | 0 | 111.6 | D139 R176 A177 R178 G183 K184 | D139-N180 PolarHBondContact O-ND2 2.92Å; D139-N180 PolarHBondContact OD1-ND2 2.98Å; D139-N180 PolarHBondContact OD2-ND2 3.38Å; D139-N180 VanDerWaalsContact OD2-ND2 3.11Å; R176-N180 VanDerWaalsContact O-CB 3.31Å; R176-N180 WeakPolarHBondContact O-CB 3.22Å; R176-N180 PolarHBondContact O-N 3.42Å; A177-N180 WeakPolarHBondContact O-CB 3.5Å; A177-N180 PolarHBondContact O-N 3.27Å; R178-N180 VanDerWaalsContact C-N 3.35Å; R178-N180 PolarHBondContact O-N 3.19Å; N180-G183 PolarHBondContact O-N 3.4Å; N180-K184 PolarHBondContact ND2-NZ 2.9Å; N180-K184 PolarHBondContact O-N 3.21Å; N180-K184 PolarHBondContact OD1-NZ 3.44Å |
| 181 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 177.2 | 175.1 | 59.9 | 0 | 0 | 0 | 111.6 | V152 T155 A156 A177 R178 G183 K184 G185 G186 L264 | V152-L181 HydrophobicContact CG1-CD1 3.86Å; T155-L181 HydrophobicContact CG2-CB 3.98Å; A156-L181 HydrophobicContact CB-CD1 4.01Å; A156-L181 HydrophobicContact CB-CD2 4.12Å; A177-L181 WeakPolarHBondContact O-CB 3.45Å; A177-L181 PolarHBondContact O-N 3.01Å; R178-L181 PolarHBondContact O-N 2.82Å; L181-G183 VanDerWaalsContact C-N 3.33Å; L181-G183 PolarHBondContact O-N 2.75Å; L181-K184 PolarHBondContact O-N 2.9Å; L181-G185 PolarHBondContact O-N 2.96Å; L181-G186 PolarHBondContact O-N 3.45Å; L181-L264 HydrophobicContact CD2-CD2 3.97Å |
| 182 | H | 98.8 | Very high | 98.7 | Very high | 59 Ų | 59 | 33 Ų | 33 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.3 | -36.2 | 178.9 | -74.2 | -161.4 | 0 | 0 | 0 | 111.7 | R178 N179 K184 G185 E263 F265 V266 | R178-H182 WeakPolarHBondContact O-CB 3.29Å; R178-H182 PolarHBondContact O-CD2 3.27Å; R178-H182 PolarHBondContact O-N 3.41Å; N179-H182 PolarHBondContact O-N 3.39Å; H182-K184 PolarHBondContact O-N 3.47Å; H182-K184 VanDerWaalsContact O-N 3.12Å; H182-G185 PolarHBondContact O-N 3.31Å; H182-E263 PolarHBondContact NE2-O 3.42Å; H182-F265 PolarHBondContact CE1-O 3.18Å; H182-F265 PolarHBondContact NE2-O 2.56Å; H182-V266 HydrophobicContact CB-CG2 3.94Å |
| 183 | G | 98.3 | Very high | 98.7 | Very high | 71 Ų | 71 | 29.7 Ų | 29.7 | 73% | 0.732 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -60.7 | -17.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N179 N180 L181 | N179-G183 PolarHBondContact O-N 3.48Å; N180-G183 PolarHBondContact O-N 3.4Å; L181-G183 VanDerWaalsContact C-N 3.33Å; L181-G183 PolarHBondContact O-N 2.75Å |
| 184 | K | 98.4 | Very high | 98.7 | Very high | 63 Ų | 63 | 28.2 Ų | 28.2 | 27% | 0.274 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 6.4 | 174.5 | -66.3 | 176.1 | 172.3 | 66.9 | 0 | 113.8 | S150 V152 N180 L181 H182 | S150-K184 WeakPolarHBondContact O-CE 3.37Å; S150-K184 WeakPolarHBondContact OG-CE 3.46Å; S150-K184 PolarHBondContact OG-NZ 3.12Å; V152-K184 HydrophobicContact CG2-CB 3.64Å; V152-K184 HydrophobicContact CG2-CD 4.13Å; N180-K184 PolarHBondContact ND2-NZ 2.9Å; N180-K184 PolarHBondContact O-N 3.21Å; N180-K184 PolarHBondContact OD1-NZ 3.44Å; L181-K184 PolarHBondContact O-N 2.9Å; H182-K184 PolarHBondContact O-N 3.47Å; H182-K184 VanDerWaalsContact O-N 3.12Å |
| 185 | G | 98.3 | Very high | 98.7 | Very high | 37 Ų | 37 | 28.2 Ų | 28.2 | 38% | 0.381 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | 7.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L181 H182 | L181-G185 PolarHBondContact O-N 2.96Å; H182-G185 PolarHBondContact O-N 3.31Å |
| 186 | G | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | 74.2 | -176.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L181 V188 G189 | L181-G186 PolarHBondContact O-N 3.45Å; G186-V188 PolarHBondContact O-N 3.5Å; G186-V188 VanDerWaalsContact O-N 3.17Å; G186-G189 PolarHBondContact O-N 3.46Å | ||
| 187 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -73 | -2.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A156 G189 I190 L198 L264 F265 | A156-A187 HydrophobicContact CB-CB 4.42Å; A187-G189 VanDerWaalsContact C-N 3.26Å; A187-G189 PolarHBondContact O-N 3.1Å; A187-I190 WeakPolarHBondContact O-CB 3.22Å; A187-I190 WeakPolarHBondContact O-CG2 3.31Å; A187-I190 PolarHBondContact O-N 3.17Å; A187-L198 HydrophobicContact CB-CD1 4.05Å; A187-L264 HydrophobicContact CB-CB 4.01Å; A187-L264 WeakPolarHBondContact CB-O 3.08Å; A187-L264 PolarHBondContact N-O 3.06Å; A187-F265 HydrophobicContact CB-CD1 4.12Å; A187-F265 HydrophobicContact CB-CE1 3.75Å; A187-F265 HydrophobicContact CB-CZ 4.14Å |
| 188 | V | 98.6 | Very high | 98.7 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 5% | 0.048 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -67.7 | -26.8 | 173.8 | -71.4 | 0 | 0 | 0 | 0 | 113.4 | G186 F265 I272 Q277 | G186-V188 PolarHBondContact O-N 3.5Å; G186-V188 VanDerWaalsContact O-N 3.17Å; V188-F265 HydrophobicContact CG1-CD1 3.69Å; V188-F265 HydrophobicContact CG1-CE1 3.91Å; V188-I272 HydrophobicContact CG1-CD1 4.04Å; V188-I272 HydrophobicContact CG1-CG2 4.01Å; V188-Q277 HydrophobicContact CB-CG 4.25Å; V188-Q277 HydrophobicContact CG1-CG 4.25Å |
| 189 | G | 98.1 | Very high | 98.7 | Very high | 5 Ų | 5 | 19.9 Ų | 19.9 | 5% | 0.052 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -92.4 | 13.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G186 A187 V281 A282 | G186-G189 PolarHBondContact O-N 3.46Å; A187-G189 VanDerWaalsContact C-N 3.26Å; A187-G189 PolarHBondContact O-N 3.1Å; G189-V281 CarbonylContact O-C 3.46Å; G189-V281 WeakPolarHBondContact O-CA 3.39Å; G189-A282 PolarHBondContact O-N 2.89Å |
| 190 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -66.8 | 143.1 | 179.7 | -161.2 | 173.5 | 0 | 0 | 0 | 110.8 | V152 F153 A156 L157 A187 K195 L198 Y204 | V152-I190 HydrophobicContact CG1-CB 3.91Å; V152-I190 HydrophobicContact CG1-CG1 4.2Å; F153-I190 HydrophobicContact CD2-CD1 4.28Å; F153-I190 HydrophobicContact CD2-CG1 4.11Å; A156-I190 HydrophobicContact CB-CD1 3.85Å; L157-I190 HydrophobicContact CD2-CD1 4.38Å; L157-I190 HydrophobicContact CG-CD1 4.34Å; A187-I190 WeakPolarHBondContact O-CB 3.22Å; A187-I190 WeakPolarHBondContact O-CG2 3.31Å; A187-I190 PolarHBondContact O-N 3.17Å; I190-K195 HydrophobicContact CG2-CB 4.41Å; I190-K195 HydrophobicContact CG2-CG 3.58Å; I190-K195 WeakPolarHBondContact O-CE 3.42Å; I190-K195 WeakPolarHBondContact O-CG 3.41Å; I190-L198 HydrophobicContact CD1-CD1 3.81Å; I190-L198 HydrophobicContact CD1-CG 4.38Å; I190-L198 HydrophobicContact CG2-CD1 4.38Å; I190-Y204 HydrophobicContact CG2-CE2 4.4Å | ||
| 191 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -56.9 | 163.2 | 174 | -28.4 | 37.1 | 0 | 0 | 0 | 114.4 | F153 W193 G194 K195 V281 D285 V521 | F153-P191 HydrophobicContact CB-CG 3.9Å; F153-P191 HydrophobicContact CG-CG 4.2Å; P191-W193 VanDerWaalsContact C-N 3.31Å; P191-W193 PolarHBondContact O-N 3.05Å; P191-G194 WeakPolarHBondContact O-CA 3.44Å; P191-G194 PolarHBondContact O-N 2.84Å; P191-K195 PolarHBondContact O-N 3Å; P191-V281 HydrophobicContact CB-CG1 4.3Å; P191-V281 HydrophobicContact CG-CG1 3.97Å; P191-D285 HydrophobicContact CG-CB 3.47Å; P191-D285 VanDerWaalsContact CG-CB 3.47Å; P191-V521 HydrophobicContact CB-CG1 3.74Å; P191-V521 HydrophobicContact CG-CG1 3.62Å | ||
| 192 | S | 98.6 | Very high | 98.7 | Very high | 24 Ų | 24 | 15.8 Ų | 15.8 | 17% | 0.168 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.6 | -39.2 | -171.1 | 63.1 | 0 | 0 | 0 | 0 | 114.1 | G194 K195 F196 P518 E520 | S192-G194 VanDerWaalsContact C-N 3.29Å; S192-G194 PolarHBondContact O-N 2.68Å; S192-K195 WeakPolarHBondContact O-CB 3.32Å; S192-K195 PolarHBondContact O-N 3.06Å; S192-F196 PolarHBondContact O-N 2.7Å; S192-P518 PolarHBondContact OG-O 3.39Å; S192-E520 WeakPolarHBondContact CB-OE2 3.2Å; S192-E520 PolarHBondContact N-OE2 3.47Å; S192-E520 PolarHBondContact OG-OE2 3.49Å |
| 193 | W | 98.8 | Very high | 98.7 | Very high | 21 Ų | 21 | 13 Ų | 13 | 8% | 0.08 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65 | -33.7 | 175.7 | -77.7 | 29.5 | 0 | 0 | 0 | 112.3 | F104 F153 P191 F196 W197 V237 Y238 M241 I339 F522 | F104-W193 HydrophobicContact CD2-CZ3 4.5Å; F104-W193 HydrophobicContact CE2-CZ3 4.2Å; F153-W193 HydrophobicContact CE2-CB 4.21Å; F153-W193 HydrophobicContact CZ-CB 3.91Å; P191-W193 VanDerWaalsContact C-N 3.31Å; P191-W193 PolarHBondContact O-N 3.05Å; W193-F196 WeakPolarHBondContact O-CB 3.11Å; W193-W197 PolarHBondContact O-N 3.41Å; W193-V237 HydrophobicContact CH2-CB 4.41Å; W193-V237 HydrophobicContact CH2-CG1 3.88Å; W193-V237 HydrophobicContact CH2-CG2 4.32Å; W193-V237 HydrophobicContact CZ2-CB 4.36Å; W193-V237 HydrophobicContact CZ2-CG1 3.72Å; W193-Y238 HydrophobicContact CZ2-CE2 4.32Å; W193-Y238 AromaticContact NE1-CE2 3.89Å; W193-Y238 AromaticContact NE1-CZ 3.54Å; W193-Y238 PolarHBondContact NE1-OH 2.85Å; W193-M241 HydrophobicContact CD2-CE 4Å; W193-M241 HydrophobicContact CG-CE 4.05Å; W193-I339 HydrophobicContact CE3-CD1 4.27Å; W193-I339 HydrophobicContact CH2-CD1 4.1Å; W193-I339 HydrophobicContact CZ3-CD1 3.42Å; W193-I339 VanDerWaalsContact CZ3-CD1 3.42Å; W193-F522 HydrophobicContact CD2-CE2 4.35Å; W193-F522 AromaticContact CE3-CE2 3.94Å; W193-F522 HydrophobicContact CE3-CE2 3.94Å; W193-F522 AromaticContact CH2-CE2 3.86Å; W193-F522 HydrophobicContact CH2-CE2 3.86Å; W193-F522 HydrophobicContact CZ2-CE2 4.28Å; W193-F522 AromaticContact CZ3-CE2 3.65Å; W193-F522 HydrophobicContact CZ3-CE2 3.65Å; W193-F522 HydrophobicContact CZ3-CZ 4.24Å |
| 194 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -71.3 | -40.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F153 P191 S192 F196 W197 L198 | F153-G194 VanDerWaalsContact CE2-N 3.35Å; P191-G194 WeakPolarHBondContact O-CA 3.44Å; P191-G194 PolarHBondContact O-N 2.84Å; S192-G194 VanDerWaalsContact C-N 3.29Å; S192-G194 PolarHBondContact O-N 2.68Å; G194-F196 VanDerWaalsContact C-N 3.27Å; G194-F196 PolarHBondContact O-N 2.69Å; G194-W197 PolarHBondContact O-N 2.93Å; G194-L198 WeakPolarHBondContact O-CB 3.28Å; G194-L198 WeakPolarHBondContact O-CG 3.22Å; G194-L198 PolarHBondContact O-N 3.47Å |
| 195 | K | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 0% | 0.004 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.1 | -43.5 | 173.2 | -58.1 | 178.8 | -168.8 | -175.6 | 0 | 110.8 | I190 P191 S192 L198 A199 Y204 L209 Q277 R278 N280 | I190-K195 HydrophobicContact CG2-CB 4.41Å; I190-K195 HydrophobicContact CG2-CG 3.58Å; I190-K195 WeakPolarHBondContact O-CE 3.42Å; I190-K195 WeakPolarHBondContact O-CG 3.41Å; P191-K195 PolarHBondContact O-N 3Å; S192-K195 WeakPolarHBondContact O-CB 3.32Å; S192-K195 PolarHBondContact O-N 3.06Å; K195-L198 PolarHBondContact O-N 2.62Å; K195-A199 WeakPolarHBondContact O-CB 3.37Å; K195-A199 PolarHBondContact O-N 3.41Å; K195-Y204 HydrophobicContact CB-CD1 4.28Å; K195-Y204 HydrophobicContact CB-CE1 3.97Å; K195-Y204 HydrophobicContact CD-CE1 4.26Å; K195-Y204 HydrophobicContact CG-CE1 4.06Å; K195-Y204 HydrophobicContact CG-CE2 4.16Å; K195-L209 HydrophobicContact CB-CB 3.83Å; K195-L209 HydrophobicContact CB-CD2 3.79Å; K195-L209 HydrophobicContact CB-CG 4.47Å; K195-L209 HydrophobicContact CD-CB 3.84Å; K195-L209 HydrophobicContact CG-CB 4.46Å; K195-Q277 PolarHBondContact NZ-O 2.74Å; K195-R278 PolarHBondContact NZ-O 3.35Å; K195-N280 WeakPolarHBondContact CE-O 3.22Å; K195-N280 PolarHBondContact NZ-O 2.89Å |
| 196 | F | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 7.4 Ų | 7.4 | 1% | 0.013 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -56.3 | -54.4 | 175.9 | 170.8 | -93.2 | 0 | 0 | 0 | 111.5 | S192 W193 G194 L198 A199 V200 W206 L212 M241 C244 I343 | S192-F196 PolarHBondContact O-N 2.7Å; W193-F196 WeakPolarHBondContact O-CB 3.11Å; G194-F196 VanDerWaalsContact C-N 3.27Å; G194-F196 PolarHBondContact O-N 2.69Å; F196-L198 PolarHBondContact O-N 3.33Å; F196-A199 PolarHBondContact O-N 3.47Å; F196-V200 HydrophobicContact CD1-CG2 4.48Å; F196-V200 HydrophobicContact CE1-CG2 4.01Å; F196-V200 HydrophobicContact CE2-CG2 4.04Å; F196-V200 HydrophobicContact CZ-CG2 3.76Å; F196-V200 WeakPolarHBondContact O-CG2 3.34Å; F196-V200 PolarHBondContact O-N 2.66Å; F196-W206 AromaticContact CD2-CH2 3.69Å; F196-W206 HydrophobicContact CD2-CH2 3.69Å; F196-W206 AromaticContact CD2-CZ3 3.84Å; F196-W206 HydrophobicContact CD2-CZ3 3.84Å; F196-W206 AromaticContact CE2-CH2 3.69Å; F196-W206 HydrophobicContact CE2-CH2 3.69Å; F196-W206 HydrophobicContact CE2-CZ3 4.22Å; F196-L212 HydrophobicContact CD2-CD1 4.11Å; F196-M241 HydrophobicContact CD1-CE 3.86Å; F196-M241 HydrophobicContact CD1-CG 4.1Å; F196-M241 HydrophobicContact CD1-SD 4.4Å; F196-M241 HydrophobicContact CD2-CB 4.02Å; F196-M241 HydrophobicContact CD2-CG 4.01Å; F196-M241 HydrophobicContact CE1-CE 4.25Å; F196-M241 HydrophobicContact CE1-CG 3.86Å; F196-M241 VanDerWaalsContact CE2-CA 3.49Å; F196-M241 HydrophobicContact CE2-CB 3.65Å; F196-M241 HydrophobicContact CE2-CG 3.76Å; F196-M241 HydrophobicContact CG-CE 4.27Å; F196-M241 HydrophobicContact CG-CG 4.18Å; F196-M241 HydrophobicContact CG-SD 4.32Å; F196-M241 HydrophobicContact CZ-CB 4Å; F196-M241 HydrophobicContact CZ-CG 3.69Å; F196-C244 HydrophobicContact CE2-CB 3.84Å; F196-C244 HydrophobicContact CZ-CB 3.95Å; F196-I343 HydrophobicContact CE1-CD1 3.89Å; F196-I343 HydrophobicContact CE1-CG1 4.25Å; F196-I343 HydrophobicContact CE1-CG2 4.42Å; F196-I343 HydrophobicContact CZ-CD1 4.26Å; F196-I343 HydrophobicContact CZ-CG2 3.98Å |
| 197 | W | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 11.1 Ų | 11.1 | 2% | 0.019 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | -178.3 | -79.1 | 121.5 | 0 | 0 | 0 | 113.1 | G108 I111 L157 W193 G194 A199 V200 L201 T342 I343 | G108-W197 VanDerWaalsContact CA-CZ2 3.49Å; G108-W197 WeakPolarHBondContact O-CZ3 3.28Å; I111-W197 HydrophobicContact CB-CE3 4.26Å; I111-W197 HydrophobicContact CD1-CB 3.86Å; I111-W197 HydrophobicContact CD1-CE3 4.35Å; I111-W197 HydrophobicContact CD1-CG 4.45Å; I111-W197 HydrophobicContact CG2-CE3 4.05Å; I111-W197 HydrophobicContact CG2-CZ3 4.43Å; L157-W197 HydrophobicContact CD2-CB 4.22Å; W193-W197 PolarHBondContact O-N 3.41Å; G194-W197 PolarHBondContact O-N 2.93Å; W197-A199 VanDerWaalsContact C-N 3.33Å; W197-A199 PolarHBondContact O-N 3.47Å; W197-V200 PolarHBondContact O-N 2.79Å; W197-L201 PolarHBondContact O-N 2.91Å; W197-T342 HydrophobicContact CH2-CG2 3.88Å; W197-I343 HydrophobicContact CH2-CD1 4.31Å; W197-I343 HydrophobicContact CH2-CG1 3.49Å; W197-I343 VanDerWaalsContact CH2-CG1 3.49Å; W197-I343 HydrophobicContact CZ2-CD1 4.02Å; W197-I343 HydrophobicContact CZ2-CG1 3.65Å; W197-I343 HydrophobicContact CZ3-CG1 4.47Å |
| 198 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -70.2 | -29.2 | 177.3 | -64.2 | -173.6 | 0 | 0 | 0 | 112.5 | L157 A187 I190 G194 K195 F196 L201 N202 V203 Y204 L264 | L157-L198 HydrophobicContact CD2-CD2 4.03Å; L157-L198 HydrophobicContact CD2-CG 4.34Å; A187-L198 HydrophobicContact CB-CD1 4.05Å; I190-L198 HydrophobicContact CD1-CD1 3.81Å; I190-L198 HydrophobicContact CD1-CG 4.38Å; I190-L198 HydrophobicContact CG2-CD1 4.38Å; G194-L198 WeakPolarHBondContact O-CB 3.28Å; G194-L198 WeakPolarHBondContact O-CG 3.22Å; G194-L198 PolarHBondContact O-N 3.47Å; K195-L198 PolarHBondContact O-N 2.62Å; F196-L198 PolarHBondContact O-N 3.33Å; L198-L201 PolarHBondContact O-N 3.08Å; L198-N202 PolarHBondContact O-N 3.49Å; L198-N202 VanDerWaalsContact O-N 3.16Å; L198-V203 HydrophobicContact CB-CG2 3.83Å; L198-V203 HydrophobicContact CD2-CG2 3.71Å; L198-V203 HydrophobicContact CG-CG2 4.24Å; L198-V203 PolarHBondContact O-N 2.85Å; L198-Y204 HydrophobicContact CB-CG 4.37Å; L198-Y204 PolarHBondContact O-N 2.9Å; L198-Y204 VanDerWaalsContact O-N 3.13Å; L198-L264 HydrophobicContact CD2-CD1 4.32Å |
| 199 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -72.7 | -39.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K195 F196 W197 L201 N202 Y204 W206 L209 S250 | K195-A199 WeakPolarHBondContact O-CB 3.37Å; K195-A199 PolarHBondContact O-N 3.41Å; F196-A199 PolarHBondContact O-N 3.47Å; W197-A199 VanDerWaalsContact C-N 3.33Å; W197-A199 PolarHBondContact O-N 3.47Å; A199-L201 VanDerWaalsContact C-N 3.31Å; A199-L201 PolarHBondContact O-N 3.15Å; A199-N202 PolarHBondContact O-N 2.87Å; A199-Y204 VanDerWaalsContact CA-O 3.24Å; A199-Y204 WeakPolarHBondContact CA-O 3.45Å; A199-W206 HydrophobicContact CB-CD2 3.66Å; A199-W206 HydrophobicContact CB-CE3 3.84Å; A199-W206 HydrophobicContact CB-CG 4.09Å; A199-W206 HydrophobicContact CB-CH2 4.34Å; A199-W206 HydrophobicContact CB-CZ2 4.18Å; A199-W206 HydrophobicContact CB-CZ3 4.18Å; A199-L209 HydrophobicContact CB-CD2 4.16Å; A199-S250 PolarHBondContact O-OG 2.92Å; A199-S250 VanDerWaalsContact O-OG 3.1Å |
| 200 | V | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.8 | -42.1 | 169.9 | 166.7 | 0 | 0 | 0 | 0 | 110.8 | I111 I115 F196 W197 N202 W206 L249 S250 A251 L346 | I111-V200 HydrophobicContact CG2-CG1 4.09Å; I115-V200 HydrophobicContact CD1-CG1 3.38Å; I115-V200 WeakPolarHBondContact CD1-O 3.44Å; F196-V200 HydrophobicContact CD1-CG2 4.48Å; F196-V200 HydrophobicContact CE1-CG2 4.01Å; F196-V200 HydrophobicContact CE2-CG2 4.04Å; F196-V200 HydrophobicContact CZ-CG2 3.76Å; F196-V200 WeakPolarHBondContact O-CG2 3.34Å; F196-V200 PolarHBondContact O-N 2.66Å; W197-V200 PolarHBondContact O-N 2.79Å; V200-N202 PolarHBondContact O-N 3.5Å; V200-W206 HydrophobicContact CG2-CH2 3.69Å; V200-W206 HydrophobicContact CG2-CZ2 3.61Å; V200-L249 HydrophobicContact CG1-CD2 4.2Å; V200-S250 CarbonylContact O-C 3.59Å; V200-S250 WeakPolarHBondContact O-CA 3.42Å; V200-A251 PolarHBondContact O-N 2.78Å; V200-L346 HydrophobicContact CG1-CD2 3.61Å |
| 201 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -5.7 | 175 | -172 | 60.5 | 0 | 0 | 0 | 113.7 | I111 T160 I164 W197 L198 A199 V203 I257 L260 | I111-L201 HydrophobicContact CD1-CD2 4.42Å; I111-L201 HydrophobicContact CG1-CD2 4.2Å; I111-L201 HydrophobicContact CG2-CB 4.05Å; I111-L201 HydrophobicContact CG2-CD1 4.32Å; T160-L201 HydrophobicContact CG2-CD2 3.36Å; I164-L201 HydrophobicContact CD1-CD1 4.46Å; I164-L201 HydrophobicContact CD1-CD2 4.36Å; W197-L201 PolarHBondContact O-N 2.91Å; L198-L201 PolarHBondContact O-N 3.08Å; A199-L201 VanDerWaalsContact C-N 3.31Å; A199-L201 PolarHBondContact O-N 3.15Å; L201-V203 VanDerWaalsContact C-N 3.3Å; L201-V203 HydrophobicContact CB-CG2 4.32Å; L201-V203 HydrophobicContact CD2-CG1 4.31Å; L201-V203 HydrophobicContact CD2-CG2 4.09Å; L201-V203 HydrophobicContact CG-CG1 4.17Å; L201-V203 HydrophobicContact CG-CG2 4.34Å; L201-V203 PolarHBondContact O-N 3.47Å; L201-I257 HydrophobicContact CD1-CD1 4.49Å; L201-I257 HydrophobicContact CD1-CG1 4.29Å; L201-I257 HydrophobicContact CG-CG1 4.48Å; L201-I257 WeakPolarHBondContact O-CD1 3.28Å; L201-L260 HydrophobicContact CD2-CD1 3.9Å |
| 202 | N | 98.9 | Very high | 98.8 | Very high | 35 Ų | 35 | 12.3 Ų | 12.3 | 19% | 0.187 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 28.4 | -177.5 | -159.1 | 5.8 | 0 | 0 | 0 | 114.4 | L198 A199 V200 A251 I257 R261 | L198-N202 PolarHBondContact O-N 3.49Å; L198-N202 VanDerWaalsContact O-N 3.16Å; A199-N202 PolarHBondContact O-N 2.87Å; V200-N202 PolarHBondContact O-N 3.5Å; N202-A251 HydrophobicContact CB-CB 4.19Å; N202-A251 WeakPolarHBondContact CB-O 3.47Å; N202-A251 PolarHBondContact ND2-O 3.33Å; N202-I257 HydrophobicContact CB-CG2 4.4Å; N202-R261 VanDerWaalsContact CG-NH2 3.28Å; N202-R261 VanDerWaalsContact O-CZ 3.25Å; N202-R261 PolarHBondContact O-NE 2.88Å; N202-R261 PolarHBondContact O-NH2 3.44Å; N202-R261 PolarHBondContact OD1-NH2 3.23Å |
| 203 | V | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -111.6 | 3.1 | 173.2 | -56.1 | 0 | 0 | 0 | 0 | 112.6 | L198 L201 I257 L260 R261 L264 F265 F269 | L198-V203 HydrophobicContact CB-CG2 3.83Å; L198-V203 HydrophobicContact CD2-CG2 3.71Å; L198-V203 HydrophobicContact CG-CG2 4.24Å; L198-V203 PolarHBondContact O-N 2.85Å; L201-V203 VanDerWaalsContact C-N 3.3Å; L201-V203 HydrophobicContact CB-CG2 4.32Å; L201-V203 HydrophobicContact CD2-CG1 4.31Å; L201-V203 HydrophobicContact CD2-CG2 4.09Å; L201-V203 HydrophobicContact CG-CG1 4.17Å; L201-V203 HydrophobicContact CG-CG2 4.34Å; L201-V203 PolarHBondContact O-N 3.47Å; V203-I257 HydrophobicContact CG1-CB 4.35Å; V203-I257 HydrophobicContact CG1-CG1 4.46Å; V203-I257 HydrophobicContact CG1-CG2 3.88Å; V203-L260 HydrophobicContact CB-CB 4.5Å; V203-L260 HydrophobicContact CG1-CB 3.76Å; V203-L260 HydrophobicContact CG1-CD1 4.25Å; V203-R261 HydrophobicContact CB-CG 4.2Å; V203-R261 HydrophobicContact CG1-CG 4.24Å; V203-L264 HydrophobicContact CB-CD1 4.41Å; V203-L264 HydrophobicContact CG2-CD1 3.89Å; V203-F265 WeakPolarHBondContact O-CE2 3.46Å; V203-F265 WeakPolarHBondContact O-CZ 3.38Å; V203-F269 VanDerWaalsContact O-CE2 3.29Å; V203-F269 WeakPolarHBondContact O-CE2 3.36Å |
| 204 | Y | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 11 Ų | 11 | 2% | 0.016 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -142.3 | 147.5 | 172.6 | -171.1 | -75.9 | 0 | 0 | 0 | 108 | I190 K195 L198 A199 G208 F265 W274 Q277 | I190-Y204 HydrophobicContact CG2-CE2 4.4Å; K195-Y204 HydrophobicContact CB-CD1 4.28Å; K195-Y204 HydrophobicContact CB-CE1 3.97Å; K195-Y204 HydrophobicContact CD-CE1 4.26Å; K195-Y204 HydrophobicContact CG-CE1 4.06Å; K195-Y204 HydrophobicContact CG-CE2 4.16Å; L198-Y204 HydrophobicContact CB-CG 4.37Å; L198-Y204 PolarHBondContact O-N 2.9Å; L198-Y204 VanDerWaalsContact O-N 3.13Å; A199-Y204 VanDerWaalsContact CA-O 3.24Å; A199-Y204 WeakPolarHBondContact CA-O 3.45Å; Y204-G208 WeakPolarHBondContact CE1-O 3.45Å; Y204-G208 PolarHBondContact OH-O 3.1Å; Y204-F265 HydrophobicContact CD2-CE1 4.17Å; Y204-F265 HydrophobicContact CD2-CZ 4.2Å; Y204-W274 HydrophobicContact CD1-CE3 4.25Å; Y204-W274 HydrophobicContact CD1-CZ3 4.02Å; Y204-W274 HydrophobicContact CD2-CE3 4.43Å; Y204-W274 HydrophobicContact CD2-CH2 4.21Å; Y204-W274 AromaticContact CD2-CZ3 3.54Å; Y204-W274 HydrophobicContact CD2-CZ3 3.54Å; Y204-W274 AromaticContact CE1-CE3 3.99Å; Y204-W274 HydrophobicContact CE1-CE3 3.99Å; Y204-W274 HydrophobicContact CE1-CZ3 4.04Å; Y204-W274 HydrophobicContact CE2-CE3 4.22Å; Y204-W274 AromaticContact CE2-CZ3 3.59Å; Y204-W274 HydrophobicContact CE2-CZ3 3.59Å; Y204-W274 HydrophobicContact CG-CE3 4.42Å; Y204-W274 HydrophobicContact CG-CH2 4.31Å; Y204-W274 AromaticContact CG-CZ3 3.74Å; Y204-W274 HydrophobicContact CG-CZ3 3.74Å; Y204-W274 AromaticContact CZ-CE3 3.95Å; Y204-W274 AromaticContact CZ-CZ3 3.81Å; Y204-Q277 VanDerWaalsContact OH-CB 3.22Å; Y204-Q277 WeakPolarHBondContact OH-CB 3.36Å |
| 205 | S | 98.8 | Very high | 98.8 | Very high | 33 Ų | 33 | 11.3 Ų | 11.3 | 23% | 0.231 | 6% | 0.058 | C | C | . | . | trans | -78.9 | 136.3 | -179.5 | -176.4 | 0 | 0 | 0 | 0 | 112.6 | E207 G208 W274 | S205-E207 PolarHBondContact O-N 3.28Å; S205-E207 VanDerWaalsContact O-N 3.13Å; S205-E207 PolarHBondContact OG-N 2.95Å; S205-E207 VanDerWaalsContact OG-N 3.16Å; S205-G208 PolarHBondContact O-N 3.27Å; S205-W274 VanDerWaalsContact CB-CD1 3.49Å | ||
| 206 | W | 98.8 | Very high | 98.7 | Very high | 16 Ų | 16 | 13.1 Ų | 13.1 | 6% | 0.061 | 7% | 0.067 | C | C | . | . | G | 310 helix | trans | -55 | -26.2 | 167.2 | -77.6 | 113.2 | 0 | 0 | 0 | 113.6 | F196 A199 V200 G208 L209 C244 Y245 L249 S250 | F196-W206 AromaticContact CD2-CH2 3.69Å; F196-W206 HydrophobicContact CD2-CH2 3.69Å; F196-W206 AromaticContact CD2-CZ3 3.84Å; F196-W206 HydrophobicContact CD2-CZ3 3.84Å; F196-W206 AromaticContact CE2-CH2 3.69Å; F196-W206 HydrophobicContact CE2-CH2 3.69Å; F196-W206 HydrophobicContact CE2-CZ3 4.22Å; A199-W206 HydrophobicContact CB-CD2 3.66Å; A199-W206 HydrophobicContact CB-CE3 3.84Å; A199-W206 HydrophobicContact CB-CG 4.09Å; A199-W206 HydrophobicContact CB-CH2 4.34Å; A199-W206 HydrophobicContact CB-CZ2 4.18Å; A199-W206 HydrophobicContact CB-CZ3 4.18Å; V200-W206 HydrophobicContact CG2-CH2 3.69Å; V200-W206 HydrophobicContact CG2-CZ2 3.61Å; W206-G208 PolarHBondContact O-N 2.74Å; W206-L209 HydrophobicContact CE3-CD1 4.33Å; W206-L209 HydrophobicContact CE3-CD2 3.9Å; W206-L209 HydrophobicContact CE3-CG 4.45Å; W206-L209 HydrophobicContact CZ3-CD2 4.1Å; W206-C244 HydrophobicContact CH2-CB 4.38Å; W206-Y245 HydrophobicContact CD2-CD2 4.5Å; W206-Y245 AromaticContact CE3-CD2 3.48Å; W206-Y245 HydrophobicContact CE3-CD2 3.48Å; W206-Y245 VanDerWaalsContact CE3-CD2 3.48Å; W206-Y245 HydrophobicContact CE3-CE2 4.13Å; W206-Y245 HydrophobicContact CE3-CG 4.42Å; W206-Y245 AromaticContact CZ3-CD2 3.68Å; W206-Y245 HydrophobicContact CZ3-CD2 3.68Å; W206-Y245 HydrophobicContact CZ3-CG 4.34Å; W206-L249 VanDerWaalsContact CZ2-O 3.23Å; W206-L249 WeakPolarHBondContact CZ2-O 3.25Å; W206-L249 PolarHBondContact NE1-O 2.92Å; W206-S250 PolarHBondContact NE1-OG 3.33Å |
| 207 | E | 98.5 | Very high | 98.7 | Very high | 79 Ų | 79 | 13.3 Ų | 13.3 | 37% | 0.369 | 7% | 0.068 | S | C | . | . | G | 310 helix | trans | -77.3 | -11.2 | 176.4 | -65.1 | -54 | 131.3 | 0 | 0 | 113.2 | S205 R248 R278 | S205-E207 PolarHBondContact O-N 3.28Å; S205-E207 VanDerWaalsContact O-N 3.13Å; S205-E207 PolarHBondContact OG-N 2.95Å; S205-E207 VanDerWaalsContact OG-N 3.16Å; E207-R248 IonicContact OE1-CZ 3.95Å; E207-R248 IonicContact OE1-NE 3.9Å; E207-R248 IonicContact OE1-NH2 2.93Å; E207-R248 PolarHBondContact OE1-NH2 3.28Å; E207-R278 PolarHBondContact O-NE 2.89Å; E207-R278 PolarHBondContact O-NH2 3.22Å; E207-R278 IonicContact OE2-NH2 3.31Å; E207-R278 PolarHBondContact OE2-NH2 3.47Å; E207-R278 VanDerWaalsContact OE2-NH2 3.1Å |
| 208 | G | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -90.6 | 8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y204 S205 W206 W274 Q277 R278 | Y204-G208 WeakPolarHBondContact CE1-O 3.45Å; Y204-G208 PolarHBondContact OH-O 3.1Å; S205-G208 PolarHBondContact O-N 3.27Å; W206-G208 PolarHBondContact O-N 2.74Å; G208-W274 WeakPolarHBondContact CA-O 3.28Å; G208-Q277 CarbonylContact O-C 3.51Å; G208-R278 WeakPolarHBondContact O-CA 3.25Å; G208-R278 PolarHBondContact O-N 3.01Å |
| 209 | L | 98.6 | Very high | 98.7 | Very high | 6 Ų | 6 | 19 Ų | 19 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -127.5 | 154.2 | 174.2 | 60.7 | 86.7 | 0 | 0 | 0 | 110.9 | K195 A199 W206 Y245 | K195-L209 HydrophobicContact CB-CB 3.83Å; K195-L209 HydrophobicContact CB-CD2 3.79Å; K195-L209 HydrophobicContact CB-CG 4.47Å; K195-L209 HydrophobicContact CD-CB 3.84Å; K195-L209 HydrophobicContact CG-CB 4.46Å; A199-L209 HydrophobicContact CB-CD2 4.16Å; W206-L209 HydrophobicContact CE3-CD1 4.33Å; W206-L209 HydrophobicContact CE3-CD2 3.9Å; W206-L209 HydrophobicContact CE3-CG 4.45Å; W206-L209 HydrophobicContact CZ3-CD2 4.1Å; L209-Y245 HydrophobicContact CD1-CD2 3.74Å; L209-Y245 HydrophobicContact CD1-CE2 3.55Å |
| 210 | N | 98.8 | Very high | 98.6 | Very high | 10 Ų | 10 | 22 Ų | 22 | 5% | 0.053 | 12% | 0.115 | C | C | . | . | trans | -64.4 | 145.1 | 176.4 | -74.9 | -52.6 | 0 | 0 | 0 | 110.6 | L212 R278 N279 Y298 N302 | N210-L212 PolarHBondContact O-N 2.87Å; N210-R278 PolarHBondContact ND2-O 2.89Å; N210-N279 PolarHBondContact ND2-OD1 3.47Å; N210-Y298 HydrophobicContact CB-CD1 3.71Å; N210-Y298 HydrophobicContact CB-CD2 4.05Å; N210-Y298 HydrophobicContact CB-CE1 3.63Å; N210-Y298 HydrophobicContact CB-CE2 3.93Å; N210-Y298 HydrophobicContact CB-CG 3.95Å; N210-N302 PolarHBondContact OD1-ND2 2.74Å | ||
| 211 | T | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | trans | -54.7 | 139.7 | 179.3 | -179.6 | 0 | 0 | 0 | 0 | 112 | L213 Y245 Y298 L301 N302 E305 | T211-L213 PolarHBondContact OG1-N 3.29Å; T211-L213 VanDerWaalsContact OG1-N 3.12Å; T211-Y245 WeakPolarHBondContact CA-OH 3.26Å; T211-Y245 WeakPolarHBondContact OG1-CE1 3.34Å; T211-Y298 WeakPolarHBondContact O-CE1 3.41Å; T211-L301 HydrophobicContact CG2-CB 3.66Å; T211-N302 PolarHBondContact N-OD1 2.85Å; T211-E305 HydrophobicContact CG2-CB 4.36Å; T211-E305 PolarHBondContact OG1-OE2 3.41Å | ||
| 212 | L | 98.6 | Very high | 98.4 | Very high | 20 Ų | 20 | 35.7 Ų | 35.7 | 11% | 0.105 | 18% | 0.179 | C | C | . | . | trans | -87.2 | 7.6 | 173.3 | -59.6 | -171.6 | 0 | 0 | 0 | 112.7 | F196 N210 Y238 M241 S242 Y245 | F196-L212 HydrophobicContact CD2-CD1 4.11Å; N210-L212 PolarHBondContact O-N 2.87Å; L212-Y238 HydrophobicContact CD2-CD1 4.37Å; L212-Y238 HydrophobicContact CD2-CE1 4.18Å; L212-M241 HydrophobicContact CD1-CB 3.67Å; L212-S242 PolarHBondContact O-OG 2.97Å; L212-Y245 HydrophobicContact CB-CD1 4.17Å; L212-Y245 HydrophobicContact CB-CG 4.05Å; L212-Y245 HydrophobicContact CD1-CG 4.31Å; L212-Y245 HydrophobicContact CG-CD2 4.22Å; L212-Y245 HydrophobicContact CG-CG 4.09Å | ||
| 213 | L | 98.3 | Very high | 98.3 | Very high | 17 Ų | 17 | 37.2 Ų | 37.2 | 9% | 0.089 | 19% | 0.186 | C | C | . | . | trans | 34.9 | 67.8 | 177.6 | -167.9 | 67.3 | 0 | 0 | 0 | 115.2 | T211 E215 M216 L301 Y304 | T211-L213 PolarHBondContact OG1-N 3.29Å; T211-L213 VanDerWaalsContact OG1-N 3.12Å; L213-E215 PolarHBondContact O-N 3.37Å; L213-E215 VanDerWaalsContact O-N 3.07Å; L213-M216 HydrophobicContact CD2-CB 4.12Å; L213-M216 HydrophobicContact CG-CB 4.23Å; L213-M216 VanDerWaalsContact O-CB 3.22Å; L213-M216 WeakPolarHBondContact O-CB 3.48Å; L213-M216 PolarHBondContact O-N 2.93Å; L213-L301 HydrophobicContact CD1-CD2 3.94Å; L213-L301 HydrophobicContact CD2-CD1 3.93Å; L213-L301 HydrophobicContact CD2-CD2 3.53Å; L213-L301 HydrophobicContact CD2-CG 4.31Å; L213-L301 HydrophobicContact CG-CD2 4.3Å; L213-Y304 HydrophobicContact CD1-CD1 3.99Å; L213-Y304 HydrophobicContact CD1-CE1 4.14Å | ||
| 214 | P | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -62.6 | -19.2 | -178.9 | -4.8 | 9 | 0 | 0 | 0 | 114 | M216 W217 S242 Y245 A246 R313 A316 L320 | P214-M216 PolarHBondContact O-N 3.47Å; P214-W217 PolarHBondContact O-N 3.08Å; P214-S242 WeakPolarHBondContact CG-O 3.27Å; P214-Y245 HydrophobicContact CG-CD1 4.26Å; P214-A246 HydrophobicContact CB-CB 4.17Å; P214-A246 HydrophobicContact CG-CB 3.68Å; P214-R313 VanDerWaalsContact CA-NH2 3.35Å; P214-R313 VanDerWaalsContact CD-NH1 3.29Å; P214-A316 HydrophobicContact CB-CB 4.46Å; P214-A316 WeakPolarHBondContact O-CB 3.42Å; P214-L320 HydrophobicContact CB-CD1 3.5Å; P214-L320 VanDerWaalsContact CB-CD1 3.5Å |
| 215 | E | 98.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -68.5 | -14.7 | 175.4 | -69.9 | 89.1 | 173.3 | 0 | 0 | 113.3 | L213 W217 L218 Y304 L312 R313 A316 | L213-E215 PolarHBondContact O-N 3.37Å; L213-E215 VanDerWaalsContact O-N 3.07Å; E215-W217 PolarHBondContact O-N 3.2Å; E215-W217 VanDerWaalsContact O-N 3.09Å; E215-L218 WeakPolarHBondContact O-CB 3.24Å; E215-L218 PolarHBondContact O-N 3.4Å; E215-Y304 HydrophobicContact CG-CE1 4.46Å; E215-Y304 PolarHBondContact OE1-OH 2.9Å; E215-L312 HydrophobicContact CG-CB 4.03Å; E215-R313 IonicContact OE1-CZ 3.85Å; E215-R313 IonicContact OE1-NE 3.49Å; E215-R313 IonicContact OE1-NH1 3.24Å; E215-R313 PolarHBondContact OE1-NH1 3.18Å; E215-R313 VanDerWaalsContact OE1-NH1 3.07Å; E215-R313 IonicContact OE1-NH2 3Å; E215-R313 PolarHBondContact OE1-NH2 3.28Å; E215-R313 VanDerWaalsContact OE1-NH2 3.12Å; E215-R313 IonicContact OE2-CZ 3.98Å; E215-R313 IonicContact OE2-NH1 2.67Å; E215-R313 PolarHBondContact OE2-NH1 2.91Å; E215-R313 IonicContact OE2-NH2 3.27Å; E215-R313 PolarHBondContact OE2-NH2 3.17Å; E215-A316 HydrophobicContact CG-CB 4.47Å |
| 216 | M | 98.3 | Very high | 97.9 | Very high | 39 Ų | 39 | 41.1 Ų | 41.1 | 19% | 0.192 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -56.4 | -26.6 | 176.2 | -173.2 | 170.7 | 58 | 0 | 0 | 112.5 | L213 P214 L218 F219 P227 | L213-M216 HydrophobicContact CD2-CB 4.12Å; L213-M216 HydrophobicContact CG-CB 4.23Å; L213-M216 VanDerWaalsContact O-CB 3.22Å; L213-M216 WeakPolarHBondContact O-CB 3.48Å; L213-M216 PolarHBondContact O-N 2.93Å; P214-M216 PolarHBondContact O-N 3.47Å; M216-L218 VanDerWaalsContact C-N 3.29Å; M216-L218 PolarHBondContact O-N 3.2Å; M216-F219 HydrophobicContact CB-CE2 4.4Å; M216-F219 HydrophobicContact CG-CD2 4.13Å; M216-F219 HydrophobicContact CG-CE2 4.22Å; M216-F219 WeakPolarHBondContact O-CB 3.17Å; M216-F219 PolarHBondContact O-N 2.96Å; M216-P227 HydrophobicContact CE-CG 4.29Å; M216-P227 HydrophobicContact CG-CG 4.1Å; M216-P227 WeakPolarHBondContact O-CD 3.21Å |
| 217 | W | 98.6 | Very high | 97.9 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -76 | -12.8 | 176.5 | -69.2 | 76.9 | 0 | 0 | 0 | 114.2 | P214 E215 P227 R235 L239 E319 L320 H323 Y435 | P214-W217 PolarHBondContact O-N 3.08Å; E215-W217 PolarHBondContact O-N 3.2Å; E215-W217 VanDerWaalsContact O-N 3.09Å; W217-P227 HydrophobicContact CD2-CB 3.89Å; W217-P227 HydrophobicContact CD2-CG 3.7Å; W217-P227 HydrophobicContact CE3-CB 4.01Å; W217-P227 HydrophobicContact CE3-CG 4.22Å; W217-P227 HydrophobicContact CG-CG 3.87Å; W217-P227 HydrophobicContact CH2-CB 3.84Å; W217-P227 HydrophobicContact CZ2-CB 3.7Å; W217-P227 HydrophobicContact CZ2-CG 4.2Å; W217-P227 HydrophobicContact CZ3-CB 4Å; W217-R235 HydrophobicContact CH2-CB 4.37Å; W217-R235 HydrophobicContact CZ2-CB 4.43Å; W217-L239 HydrophobicContact CD2-CD1 4.15Å; W217-L239 HydrophobicContact CE3-CD1 4.1Å; W217-L239 HydrophobicContact CH2-CB 3.75Å; W217-L239 HydrophobicContact CH2-CD1 3.63Å; W217-L239 HydrophobicContact CH2-CD2 4.19Å; W217-L239 HydrophobicContact CH2-CG 4.06Å; W217-L239 HydrophobicContact CZ2-CB 3.49Å; W217-L239 VanDerWaalsContact CZ2-CB 3.49Å; W217-L239 HydrophobicContact CZ2-CD1 3.67Å; W217-L239 HydrophobicContact CZ2-CG 4.12Å; W217-L239 HydrophobicContact CZ3-CD1 3.85Å; W217-E319 HydrophobicContact CB-CG 4.41Å; W217-L320 HydrophobicContact CB-CD2 4.16Å; W217-L320 HydrophobicContact CD2-CD2 3.75Å; W217-L320 HydrophobicContact CG-CD2 3.47Å; W217-L320 VanDerWaalsContact CG-CD2 3.47Å; W217-L320 HydrophobicContact CG-CG 4.45Å; W217-H323 HydrophobicContact CZ3-CB 4.4Å; W217-H323 AromaticContact CZ3-ND1 3.68Å; W217-Y435 HydrophobicContact CE3-CE2 4.41Å; W217-Y435 HydrophobicContact CZ3-CE2 4.02Å |
| 218 | L | 98.7 | Very high | 97.9 | Very high | 57 Ų | 57 | 37.4 Ų | 37.4 | 30% | 0.298 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -94.2 | -5.7 | 174.7 | -59.5 | -179.6 | 0 | 0 | 0 | 112.9 | E215 M216 M315 A316 E319 | E215-L218 WeakPolarHBondContact O-CB 3.24Å; E215-L218 PolarHBondContact O-N 3.4Å; M216-L218 VanDerWaalsContact C-N 3.29Å; M216-L218 PolarHBondContact O-N 3.2Å; L218-M315 HydrophobicContact CD1-CB 3.73Å; L218-M315 HydrophobicContact CD2-CB 4.27Å; L218-A316 HydrophobicContact CD1-CB 3.94Å; L218-A316 HydrophobicContact CG-CB 4.08Å; L218-E319 HydrophobicContact CD2-CB 4.02Å; L218-E319 HydrophobicContact CD2-CG 4.36Å |
| 219 | F | 98.4 | Very high | 97.9 | Very high | 67 Ų | 67 | 38.6 Ų | 38.6 | 29% | 0.294 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -63.4 | 149.8 | 179.2 | -70 | -13.1 | 0 | 0 | 0 | 110.7 | M216 S221 M223 H226 | M216-F219 HydrophobicContact CB-CE2 4.4Å; M216-F219 HydrophobicContact CG-CD2 4.13Å; M216-F219 HydrophobicContact CG-CE2 4.22Å; M216-F219 WeakPolarHBondContact O-CB 3.17Å; M216-F219 PolarHBondContact O-N 2.96Å; F219-S221 PolarHBondContact O-N 3.02Å; F219-M223 HydrophobicContact CB-CB 4.2Å; F219-M223 HydrophobicContact CB-SD 3.79Å; F219-M223 HydrophobicContact CD1-SD 4.05Å; F219-M223 HydrophobicContact CD2-CE 3.89Å; F219-M223 HydrophobicContact CD2-CG 4.24Å; F219-M223 HydrophobicContact CD2-SD 3.39Å; F219-M223 WeakPolarHBondContact CD2-SD 3.48Å; F219-M223 HydrophobicContact CE1-SD 4.47Å; F219-M223 HydrophobicContact CE2-CE 3.74Å; F219-M223 HydrophobicContact CE2-SD 3.88Å; F219-M223 HydrophobicContact CG-CE 4.41Å; F219-M223 HydrophobicContact CG-SD 3.48Å; F219-M223 WeakPolarHBondContact CG-SD 3.32Å; F219-M223 HydrophobicContact CZ-CE 4.14Å; F219-M223 HydrophobicContact CZ-SD 4.4Å; F219-H226 PolarHBondContact O-CD2 3.21Å; F219-H226 PolarHBondContact O-NE2 3.48Å |
| 220 | P | 98 | Very high | 97.9 | Very high | 64 Ų | 64 | 38.8 Ų | 38.8 | 42% | 0.416 | 21% | 0.205 | S | C | . | . | trans | -55.3 | 139.2 | 168.6 | -23.5 | 34 | 0 | 0 | 0 | 110.5 | W222 M223 | P220-W222 HydrophobicContact CB-CD2 4.26Å; P220-W222 HydrophobicContact CB-CG 4.3Å; P220-W222 HydrophobicContact CB-CZ2 4.09Å; P220-W222 HydrophobicContact CG-CZ2 4.17Å; P220-W222 PolarHBondContact O-N 2.91Å; P220-M223 VanDerWaalsContact O-CB 3.24Å; P220-M223 WeakPolarHBondContact O-CB 3.38Å; P220-M223 PolarHBondContact O-N 3.09Å | ||
| 221 | S | 96.1 | Very high | 97.9 | Very high | 82 Ų | 82 | 39 Ų | 39 | 57% | 0.573 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.5 | -173.3 | 58.2 | 0 | 0 | 0 | 0 | 115.3 | F219 | F219-S221 PolarHBondContact O-N 3.02Š|
| 222 | W | 95.8 | Very high | 97.9 | Very high | 204 Ų | 204 | 39 Ų | 39 | 77% | 0.773 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | -10.8 | 174.9 | 59.4 | -102.2 | 0 | 0 | 0 | 113.8 | P220 | P220-W222 HydrophobicContact CB-CD2 4.26Å; P220-W222 HydrophobicContact CB-CG 4.3Å; P220-W222 HydrophobicContact CB-CZ2 4.09Å; P220-W222 HydrophobicContact CG-CZ2 4.17Å; P220-W222 PolarHBondContact O-N 2.91Å |
| 223 | M | 96.8 | Very high | 97.9 | Very high | 67 Ų | 67 | 40 Ų | 40 | 33% | 0.33 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -68.1 | 138.4 | -176.5 | -170.2 | 164.3 | 175.4 | 0 | 0 | 111 | F219 P220 A225 H226 | F219-M223 HydrophobicContact CB-CB 4.2Å; F219-M223 HydrophobicContact CB-SD 3.79Å; F219-M223 HydrophobicContact CD1-SD 4.05Å; F219-M223 HydrophobicContact CD2-CE 3.89Å; F219-M223 HydrophobicContact CD2-CG 4.24Å; F219-M223 HydrophobicContact CD2-SD 3.39Å; F219-M223 WeakPolarHBondContact CD2-SD 3.48Å; F219-M223 HydrophobicContact CE1-SD 4.47Å; F219-M223 HydrophobicContact CE2-CE 3.74Å; F219-M223 HydrophobicContact CE2-SD 3.88Å; F219-M223 HydrophobicContact CG-CE 4.41Å; F219-M223 HydrophobicContact CG-SD 3.48Å; F219-M223 WeakPolarHBondContact CG-SD 3.32Å; F219-M223 HydrophobicContact CZ-CE 4.14Å; F219-M223 HydrophobicContact CZ-SD 4.4Å; P220-M223 VanDerWaalsContact O-CB 3.24Å; P220-M223 WeakPolarHBondContact O-CB 3.38Å; P220-M223 PolarHBondContact O-N 3.09Å; M223-A225 PolarHBondContact O-N 3.22Å; M223-H226 VanDerWaalsContact O-CB 3.22Å; M223-H226 WeakPolarHBondContact O-CB 3.35Å; M223-H226 PolarHBondContact O-N 3.13Å |
| 224 | P | 94.1 | Very high | 97.9 | Very high | 103 Ų | 103 | 39.5 Ų | 39.5 | 67% | 0.669 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 139.2 | 174.2 | -25.5 | 34.8 | 0 | 0 | 0 | 111.5 | H226 | P224-H226 PolarHBondContact O-N 2.58Š|
| 225 | A | 96.2 | Very high | 97.9 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 11.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | M223 L513 L516 | M223-A225 PolarHBondContact O-N 3.22Å; A225-L513 HydrophobicContact CB-CD2 3.77Å; A225-L516 HydrophobicContact CB-CD1 3.86Å |
| 226 | H | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | trans | -54.1 | 134.9 | 171.6 | -179.1 | -87.5 | 0 | 0 | 0 | 110.4 | F219 M223 P224 S228 T229 Y435 | F219-H226 PolarHBondContact O-CD2 3.21Å; F219-H226 PolarHBondContact O-NE2 3.48Å; M223-H226 VanDerWaalsContact O-CB 3.22Å; M223-H226 WeakPolarHBondContact O-CB 3.35Å; M223-H226 PolarHBondContact O-N 3.13Å; P224-H226 PolarHBondContact O-N 2.58Å; H226-S228 PolarHBondContact CE1-OG 2.68Å; H226-S228 WeakPolarHBondContact ND1-CB 3.26Å; H226-S228 PolarHBondContact ND1-N 2.71Å; H226-S228 VanDerWaalsContact ND1-N 3.18Å; H226-S228 PolarHBondContact ND1-OG 3.03Å; H226-S228 PolarHBondContact O-N 3.02Å; H226-T229 PolarHBondContact O-N 2.99Å; H226-T229 PolarHBondContact O-OG1 2.74Å; H226-Y435 AromaticContact CE1-CZ 3.76Å; H226-Y435 PolarHBondContact CE1-OH 3.22Å | ||
| 227 | P | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -55.5 | -32 | -170 | -29.5 | 37 | 0 | 0 | 0 | 114.8 | M216 W217 T229 L230 R235 | M216-P227 HydrophobicContact CE-CG 4.29Å; M216-P227 HydrophobicContact CG-CG 4.1Å; M216-P227 WeakPolarHBondContact O-CD 3.21Å; W217-P227 HydrophobicContact CD2-CB 3.89Å; W217-P227 HydrophobicContact CD2-CG 3.7Å; W217-P227 HydrophobicContact CE3-CB 4.01Å; W217-P227 HydrophobicContact CE3-CG 4.22Å; W217-P227 HydrophobicContact CG-CG 3.87Å; W217-P227 HydrophobicContact CH2-CB 3.84Å; W217-P227 HydrophobicContact CZ2-CB 3.7Å; W217-P227 HydrophobicContact CZ2-CG 4.2Å; W217-P227 HydrophobicContact CZ3-CB 4Å; P227-T229 PolarHBondContact O-N 2.83Å; P227-T229 VanDerWaalsContact O-N 3.14Å; P227-L230 PolarHBondContact O-N 2.91Å; P227-L230 VanDerWaalsContact O-N 3.14Å; P227-R235 WeakPolarHBondContact O-CD 3.39Å |
| 228 | S | 98.6 | Very high | 98 | Very high | 16 Ų | 16 | 39 Ų | 39 | 11% | 0.112 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -61.1 | -20.2 | 176.7 | 71.2 | 0 | 0 | 0 | 0 | 114.7 | H226 Y435 R508 | H226-S228 PolarHBondContact CE1-OG 2.68Å; H226-S228 WeakPolarHBondContact ND1-CB 3.26Å; H226-S228 PolarHBondContact ND1-N 2.71Å; H226-S228 VanDerWaalsContact ND1-N 3.18Å; H226-S228 PolarHBondContact ND1-OG 3.03Å; H226-S228 PolarHBondContact O-N 3.02Å; S228-Y435 VanDerWaalsContact CB-CD1 3.42Å; S228-Y435 VanDerWaalsContact CB-CD2 3.48Å; S228-R508 WeakPolarHBondContact O-CD 3.46Å; S228-R508 PolarHBondContact O-NH1 2.76Å |
| 229 | T | 98.7 | Very high | 98 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 15% | 0.153 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -96.2 | -10.2 | -179.3 | 69.1 | 0 | 0 | 0 | 0 | 113.6 | H226 P227 R508 G509 | H226-T229 PolarHBondContact O-N 2.99Å; H226-T229 PolarHBondContact O-OG1 2.74Å; P227-T229 PolarHBondContact O-N 2.83Å; P227-T229 VanDerWaalsContact O-N 3.14Å; T229-R508 HydrophobicContact CG2-CB 4.48Å; T229-G509 PolarHBondContact O-N 2.76Å |
| 230 | L | 98.8 | Very high | 98 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -82.8 | 157.2 | 178.4 | -54.9 | -177.8 | 0 | 0 | 0 | 110.9 | P227 R235 L513 M526 | P227-L230 PolarHBondContact O-N 2.91Å; P227-L230 VanDerWaalsContact O-N 3.14Å; L230-R235 HydrophobicContact CB-CB 4.36Å; L230-R235 PolarHBondContact O-NH1 3.16Å; L230-L513 HydrophobicContact CD2-CD1 4.16Å; L230-M526 CarbonylContact C-O 3.54Å; L230-M526 WeakPolarHBondContact CA-O 3.28Å; L230-M526 WeakPolarHBondContact CB-O 3.49Å; L230-M526 HydrophobicContact CD1-CE 4.46Å; L230-M526 HydrophobicContact CD2-CE 4.06Å; L230-M526 WeakPolarHBondContact CD2-O 3.38Å |
| 231 | W | 98.9 | Very high | 98.1 | Very high | 15 Ų | 15 | 30.1 Ų | 30.1 | 6% | 0.057 | 16% | 0.157 | C | C | . | . | trans | -52.8 | 141.7 | 174.6 | -175.4 | 40.6 | 0 | 0 | 0 | 111.5 | H233 C234 R235 T503 I525 M526 W582 N698 | W231-H233 HydrophobicContact CD2-CB 3.82Å; W231-H233 AromaticContact CE2-CD2 3.75Å; W231-H233 HydrophobicContact CE3-CB 3.71Å; W231-H233 HydrophobicContact CH2-CB 3.48Å; W231-H233 VanDerWaalsContact CH2-CB 3.48Å; W231-H233 AromaticContact CH2-CD2 3.87Å; W231-H233 AromaticContact CH2-CG 3.85Å; W231-H233 HydrophobicContact CZ2-CB 3.6Å; W231-H233 AromaticContact CZ2-CD2 3.3Å; W231-H233 WeakPolarHBondContact CZ2-CD2 3.33Å; W231-H233 AromaticContact CZ2-CG 3.71Å; W231-H233 HydrophobicContact CZ3-CB 3.54Å; W231-H233 PolarHBondContact O-N 3.25Å; W231-C234 HydrophobicContact CB-CB 4.11Å; W231-C234 HydrophobicContact CE3-CB 4.19Å; W231-C234 WeakPolarHBondContact O-CB 3.32Å; W231-C234 PolarHBondContact O-N 3.3Å; W231-R235 PolarHBondContact O-N 3.25Å; W231-T503 PolarHBondContact NE1-OG1 2.86Å; W231-I525 VanDerWaalsContact CB-O 3.29Å; W231-I525 WeakPolarHBondContact CB-O 3.5Å; W231-I525 HydrophobicContact CE3-CB 4.24Å; W231-I525 HydrophobicContact CZ3-CB 4.4Å; W231-I525 HydrophobicContact CZ3-CG2 4.42Å; W231-M526 PolarHBondContact N-O 2.8Å; W231-W582 HydrophobicContact CZ2-CH2 4.1Å; W231-N698 WeakPolarHBondContact CH2-OD1 3.49Å; W231-N698 WeakPolarHBondContact CZ3-ND2 3.36Å; W231-N698 WeakPolarHBondContact CZ3-OD1 3.47Å | ||
| 232 | C | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.5 | -46.9 | -175.4 | 54.4 | 0 | 0 | 0 | 0 | 113 | C234 R235 Q236 I336 W452 Y504 | C232-C234 VanDerWaalsContact C-N 3.35Å; C232-C234 PolarHBondContact O-N 3.07Å; C232-R235 PolarHBondContact O-N 3.15Å; C232-Q236 WeakPolarHBondContact O-CB 3.42Å; C232-Q236 VanDerWaalsContact O-CG 3.24Å; C232-Q236 WeakPolarHBondContact O-CG 3.36Å; C232-Q236 PolarHBondContact O-N 2.98Å; C232-I336 HydrophobicContact CB-CD1 3.89Å; C232-I336 VanDerWaalsContact SG-CD1 3.53Å; C232-W452 HydrophobicContact CB-CH2 4.22Å; C232-W452 HydrophobicContact CB-CZ3 3.8Å; C232-Y504 VanDerWaalsContact SG-CB 3.56Å; C232-Y504 WeakPolarHBondContact SG-CD2 3.32Å; C232-Y504 VanDerWaalsContact SG-CG 3.52Å |
| 233 | H | 98.6 | Very high | 98.3 | Very high | 41 Ų | 41 | 17.3 Ų | 17.3 | 19% | 0.19 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 175.8 | -82.6 | -77.2 | 0 | 0 | 0 | 111.7 | W231 V237 Y504 | W231-H233 HydrophobicContact CD2-CB 3.82Å; W231-H233 AromaticContact CE2-CD2 3.75Å; W231-H233 HydrophobicContact CE3-CB 3.71Å; W231-H233 HydrophobicContact CH2-CB 3.48Å; W231-H233 VanDerWaalsContact CH2-CB 3.48Å; W231-H233 AromaticContact CH2-CD2 3.87Å; W231-H233 AromaticContact CH2-CG 3.85Å; W231-H233 HydrophobicContact CZ2-CB 3.6Å; W231-H233 AromaticContact CZ2-CD2 3.3Å; W231-H233 WeakPolarHBondContact CZ2-CD2 3.33Å; W231-H233 AromaticContact CZ2-CG 3.71Å; W231-H233 HydrophobicContact CZ3-CB 3.54Å; W231-H233 PolarHBondContact O-N 3.25Å; H233-V237 WeakPolarHBondContact O-CG2 3.49Å; H233-V237 PolarHBondContact O-N 3.21Å; H233-V237 VanDerWaalsContact O-N 3.1Å; H233-Y504 AromaticContact CD2-CE2 3.53Å; H233-Y504 AromaticContact NE2-CE2 3.34Å; H233-Y504 VanDerWaalsContact NE2-CE2 3.34Å; H233-Y504 WeakPolarHBondContact NE2-CE2 3.47Å; H233-Y504 AromaticContact NE2-CZ 3.39Å; H233-Y504 PolarHBondContact NE2-OH 2.69Å |
| 234 | C | 98.5 | Very high | 98.4 | Very high | 8 Ų | 8 | 14.1 Ų | 14.1 | 5% | 0.054 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.4 | -58.5 | 175.3 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | W231 C232 Q236 V237 Y238 I525 | W231-C234 HydrophobicContact CB-CB 4.11Å; W231-C234 HydrophobicContact CE3-CB 4.19Å; W231-C234 WeakPolarHBondContact O-CB 3.32Å; W231-C234 PolarHBondContact O-N 3.3Å; C232-C234 VanDerWaalsContact C-N 3.35Å; C232-C234 PolarHBondContact O-N 3.07Å; C234-Q236 VanDerWaalsContact C-N 3.32Å; C234-Q236 PolarHBondContact O-N 2.93Å; C234-V237 PolarHBondContact O-N 2.92Å; C234-Y238 VanDerWaalsContact O-CD2 3.32Å; C234-Y238 WeakPolarHBondContact O-CD2 3.46Å; C234-Y238 PolarHBondContact O-N 2.99Å; C234-I525 VanDerWaalsContact CB-O 3.31Å; C234-I525 WeakPolarHBondContact CB-O 3.21Å |
| 235 | R | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 9.2 Ų | 9.2 | 1% | 0.011 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66.9 | -31.6 | -176.1 | 76 | -177.4 | -177.5 | -98.2 | -0.6 | 113 | W217 P227 L230 W231 C232 V237 L239 Y435 E505 | W217-R235 HydrophobicContact CH2-CB 4.37Å; W217-R235 HydrophobicContact CZ2-CB 4.43Å; P227-R235 WeakPolarHBondContact O-CD 3.39Å; L230-R235 HydrophobicContact CB-CB 4.36Å; L230-R235 PolarHBondContact O-NH1 3.16Å; W231-R235 PolarHBondContact O-N 3.25Å; C232-R235 PolarHBondContact O-N 3.15Å; R235-V237 VanDerWaalsContact C-N 3.35Å; R235-L239 WeakPolarHBondContact O-CB 3.38Å; R235-L239 PolarHBondContact O-N 2.76Å; R235-Y435 PolarHBondContact NH2-O 3.16Å; R235-Y435 VanDerWaalsContact NH2-O 3.16Å; R235-E505 IonicContact CZ-OE1 3.88Å; R235-E505 IonicContact CZ-OE2 3.41Å; R235-E505 VanDerWaalsContact CZ-OE2 3.27Å; R235-E505 IonicContact NH1-OE1 2.68Å; R235-E505 IonicContact NH1-OE2 3.31Å; R235-E505 PolarHBondContact NH1-OE2 3.22Å; R235-E505 IonicContact NH2-OE1 3.24Å; R235-E505 PolarHBondContact NH2-OE1 3.01Å; R235-E505 IonicContact NH2-OE2 3.08Å; R235-E505 PolarHBondContact NH2-OE2 3.45Å |
| 236 | Q | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 9.3 Ų | 9.3 | 4% | 0.037 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -75 | -22.7 | 179.1 | -73.6 | -62.2 | -14.4 | 0 | 0 | 113.1 | C232 C234 P240 I336 S340 W452 | C232-Q236 WeakPolarHBondContact O-CB 3.42Å; C232-Q236 VanDerWaalsContact O-CG 3.24Å; C232-Q236 WeakPolarHBondContact O-CG 3.36Å; C232-Q236 PolarHBondContact O-N 2.98Å; C234-Q236 VanDerWaalsContact C-N 3.32Å; C234-Q236 PolarHBondContact O-N 2.93Å; Q236-P240 WeakPolarHBondContact O-CD 3.33Å; Q236-P240 WeakPolarHBondContact O-CG 3.45Å; Q236-I336 HydrophobicContact CB-CG2 3.81Å; Q236-I336 HydrophobicContact CG-CG2 4.15Å; Q236-S340 WeakPolarHBondContact O-CB 3.35Å; Q236-W452 HydrophobicContact CG-CH2 4.19Å; Q236-W452 HydrophobicContact CG-CZ2 4.01Å |
| 237 | V | 98.9 | Very high | 98.8 | Very high | 7 Ų | 7 | 11.1 Ų | 11.1 | 4% | 0.042 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -82 | -48.3 | 168.2 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | W193 H233 C234 R235 L239 P240 M241 I339 | W193-V237 HydrophobicContact CH2-CB 4.41Å; W193-V237 HydrophobicContact CH2-CG1 3.88Å; W193-V237 HydrophobicContact CH2-CG2 4.32Å; W193-V237 HydrophobicContact CZ2-CB 4.36Å; W193-V237 HydrophobicContact CZ2-CG1 3.72Å; H233-V237 WeakPolarHBondContact O-CG2 3.49Å; H233-V237 PolarHBondContact O-N 3.21Å; H233-V237 VanDerWaalsContact O-N 3.1Å; C234-V237 PolarHBondContact O-N 2.92Å; R235-V237 VanDerWaalsContact C-N 3.35Å; V237-L239 VanDerWaalsContact C-N 3.27Å; V237-L239 PolarHBondContact O-N 3.34Å; V237-P240 VanDerWaalsContact O-CD 3.25Å; V237-P240 WeakPolarHBondContact O-CD 3.48Å; V237-P240 WeakPolarHBondContact O-CG 3.46Å; V237-M241 HydrophobicContact CG1-CE 3.49Å; V237-M241 VanDerWaalsContact CG1-CE 3.49Å; V237-M241 HydrophobicContact CG1-CG 4.26Å; V237-M241 HydrophobicContact CG1-SD 3.71Å; V237-M241 VanDerWaalsContact O-CG 3.29Å; V237-M241 WeakPolarHBondContact O-CG 3.22Å; V237-M241 PolarHBondContact O-N 3.38Å; V237-I339 HydrophobicContact CB-CG2 4.43Å; V237-I339 HydrophobicContact CG1-CG2 3.72Å; V237-I339 HydrophobicContact CG2-CB 4Å; V237-I339 HydrophobicContact CG2-CG2 3.85Å |
| 238 | Y | 98.9 | Very high | 98.8 | Very high | 25 Ų | 25 | 14.6 Ų | 14.6 | 10% | 0.098 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.7 | -23.7 | -177.8 | -81.4 | -83.9 | 0 | 0 | 0 | 113.2 | W193 L212 C234 S242 P518 | W193-Y238 HydrophobicContact CZ2-CE2 4.32Å; W193-Y238 AromaticContact NE1-CE2 3.89Å; W193-Y238 AromaticContact NE1-CZ 3.54Å; W193-Y238 PolarHBondContact NE1-OH 2.85Å; L212-Y238 HydrophobicContact CD2-CD1 4.37Å; L212-Y238 HydrophobicContact CD2-CE1 4.18Å; C234-Y238 VanDerWaalsContact O-CD2 3.32Å; C234-Y238 WeakPolarHBondContact O-CD2 3.46Å; C234-Y238 PolarHBondContact O-N 2.99Å; Y238-S242 WeakPolarHBondContact O-CB 3.14Å; Y238-S242 PolarHBondContact O-N 3.09Å; Y238-S242 PolarHBondContact O-OG 2.81Å; Y238-P518 HydrophobicContact CE1-CG 4.28Å |
| 239 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -55.8 | -65 | 174.5 | 168.5 | 66 | 0 | 0 | 0 | 112.2 | W217 R235 V237 S242 Y243 L320 H323 I324 | W217-L239 HydrophobicContact CD2-CD1 4.15Å; W217-L239 HydrophobicContact CE3-CD1 4.1Å; W217-L239 HydrophobicContact CH2-CB 3.75Å; W217-L239 HydrophobicContact CH2-CD1 3.63Å; W217-L239 HydrophobicContact CH2-CD2 4.19Å; W217-L239 HydrophobicContact CH2-CG 4.06Å; W217-L239 HydrophobicContact CZ2-CB 3.49Å; W217-L239 VanDerWaalsContact CZ2-CB 3.49Å; W217-L239 HydrophobicContact CZ2-CD1 3.67Å; W217-L239 HydrophobicContact CZ2-CG 4.12Å; W217-L239 HydrophobicContact CZ3-CD1 3.85Å; R235-L239 WeakPolarHBondContact O-CB 3.38Å; R235-L239 PolarHBondContact O-N 2.76Å; V237-L239 VanDerWaalsContact C-N 3.27Å; V237-L239 PolarHBondContact O-N 3.34Å; L239-S242 PolarHBondContact O-N 3.04Å; L239-Y243 PolarHBondContact O-N 2.87Å; L239-Y243 VanDerWaalsContact O-N 3.13Å; L239-L320 HydrophobicContact CD1-CB 4.03Å; L239-L320 HydrophobicContact CD1-CD2 3.53Å; L239-L320 HydrophobicContact CD1-CG 4.36Å; L239-H323 HydrophobicContact CD1-CB 3.9Å; L239-H323 HydrophobicContact CD2-CB 3.85Å; L239-I324 HydrophobicContact CD1-CG1 4.28Å; L239-I324 HydrophobicContact CD2-CG1 3.82Å; L239-I324 HydrophobicContact CG-CD1 4.36Å; L239-I324 HydrophobicContact CG-CG1 3.75Å |
| 240 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -71.9 | -27.6 | 179.5 | 33.2 | -40.7 | 0 | 0 | 0 | 112.5 | Q236 V237 S242 Y243 C244 I324 I343 N344 V347 | Q236-P240 WeakPolarHBondContact O-CD 3.33Å; Q236-P240 WeakPolarHBondContact O-CG 3.45Å; V237-P240 VanDerWaalsContact O-CD 3.25Å; V237-P240 WeakPolarHBondContact O-CD 3.48Å; V237-P240 WeakPolarHBondContact O-CG 3.46Å; P240-S242 VanDerWaalsContact C-N 3.34Å; P240-S242 PolarHBondContact O-N 3.49Å; P240-Y243 WeakPolarHBondContact O-CB 3.28Å; P240-Y243 PolarHBondContact O-N 3.32Å; P240-C244 PolarHBondContact O-N 3.18Å; P240-C244 PolarHBondContact O-SG 2.81Å; P240-C244 VanDerWaalsContact O-SG 3.41Å; P240-I324 HydrophobicContact CB-CD1 3.93Å; P240-I324 HydrophobicContact CB-CG1 4.34Å; P240-I343 HydrophobicContact CB-CB 3.81Å; P240-I343 HydrophobicContact CB-CG2 3.59Å; P240-I343 HydrophobicContact CG-CB 3.81Å; P240-I343 HydrophobicContact CG-CD1 4.47Å; P240-I343 HydrophobicContact CG-CG2 4.03Å; P240-N344 WeakPolarHBondContact CB-OD1 3.36Å; P240-N344 WeakPolarHBondContact CG-OD1 3.31Å; P240-V347 HydrophobicContact CB-CG2 4.26Å |
| 241 | M | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.01 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.4 | -45 | 170.4 | -71.2 | -175.9 | 167.8 | 0 | 0 | 111.6 | W193 F196 L212 V237 Y243 C244 Y245 I343 | W193-M241 HydrophobicContact CD2-CE 4Å; W193-M241 HydrophobicContact CG-CE 4.05Å; F196-M241 HydrophobicContact CD1-CE 3.86Å; F196-M241 HydrophobicContact CD1-CG 4.1Å; F196-M241 HydrophobicContact CD1-SD 4.4Å; F196-M241 HydrophobicContact CD2-CB 4.02Å; F196-M241 HydrophobicContact CD2-CG 4.01Å; F196-M241 HydrophobicContact CE1-CE 4.25Å; F196-M241 HydrophobicContact CE1-CG 3.86Å; F196-M241 VanDerWaalsContact CE2-CA 3.49Å; F196-M241 HydrophobicContact CE2-CB 3.65Å; F196-M241 HydrophobicContact CE2-CG 3.76Å; F196-M241 HydrophobicContact CG-CE 4.27Å; F196-M241 HydrophobicContact CG-CG 4.18Å; F196-M241 HydrophobicContact CG-SD 4.32Å; F196-M241 HydrophobicContact CZ-CB 4Å; F196-M241 HydrophobicContact CZ-CG 3.69Å; L212-M241 HydrophobicContact CD1-CB 3.67Å; V237-M241 HydrophobicContact CG1-CE 3.49Å; V237-M241 VanDerWaalsContact CG1-CE 3.49Å; V237-M241 HydrophobicContact CG1-CG 4.26Å; V237-M241 HydrophobicContact CG1-SD 3.71Å; V237-M241 VanDerWaalsContact O-CG 3.29Å; V237-M241 WeakPolarHBondContact O-CG 3.22Å; V237-M241 PolarHBondContact O-N 3.38Å; M241-Y243 VanDerWaalsContact C-N 3.29Å; M241-Y243 PolarHBondContact O-N 3.33Å; M241-C244 PolarHBondContact O-N 2.6Å; M241-Y245 WeakPolarHBondContact O-CB 3.31Å; M241-Y245 PolarHBondContact O-N 3.41Å; M241-I343 HydrophobicContact CE-CD1 3.89Å; M241-I343 HydrophobicContact CG-CD1 3.54Å |
| 242 | S | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.4 | -36.3 | 176.8 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | L212 P214 Y238 L239 P240 A246 | L212-S242 PolarHBondContact O-OG 2.97Å; P214-S242 WeakPolarHBondContact CG-O 3.27Å; Y238-S242 WeakPolarHBondContact O-CB 3.14Å; Y238-S242 PolarHBondContact O-N 3.09Å; Y238-S242 PolarHBondContact O-OG 2.81Å; L239-S242 PolarHBondContact O-N 3.04Å; P240-S242 VanDerWaalsContact C-N 3.34Å; P240-S242 PolarHBondContact O-N 3.49Å; S242-A246 VanDerWaalsContact O-CB 3.24Å; S242-A246 WeakPolarHBondContact O-CB 3.33Å; S242-A246 PolarHBondContact O-N 2.95Å |
| 243 | Y | 98.9 | Very high | 98.7 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 6% | 0.059 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.4 | -54.7 | 172.9 | -173.8 | -77.2 | 0 | 0 | 0 | 111.4 | L239 P240 M241 Y245 A246 V247 V317 L320 Y321 I324 V347 Y350 V351 | L239-Y243 PolarHBondContact O-N 2.87Å; L239-Y243 VanDerWaalsContact O-N 3.13Å; P240-Y243 WeakPolarHBondContact O-CB 3.28Å; P240-Y243 PolarHBondContact O-N 3.32Å; M241-Y243 VanDerWaalsContact C-N 3.29Å; M241-Y243 PolarHBondContact O-N 3.33Å; Y243-Y245 VanDerWaalsContact C-N 3.29Å; Y243-Y245 PolarHBondContact O-N 3.06Å; Y243-A246 WeakPolarHBondContact O-CB 3.38Å; Y243-A246 PolarHBondContact O-N 2.84Å; Y243-A246 VanDerWaalsContact O-N 3.12Å; Y243-V247 HydrophobicContact CD1-CG2 4.39Å; Y243-V247 HydrophobicContact CE1-CG1 4.12Å; Y243-V247 HydrophobicContact CE1-CG2 4.12Å; Y243-V247 PolarHBondContact O-N 3.31Å; Y243-V317 HydrophobicContact CD2-CG1 4.27Å; Y243-V317 HydrophobicContact CE2-CG1 3.57Å; Y243-L320 HydrophobicContact CD2-CB 4.09Å; Y243-Y321 HydrophobicContact CE2-CD2 4.25Å; Y243-Y321 HydrophobicContact CE2-CG 4.34Å; Y243-I324 HydrophobicContact CD2-CD1 4.34Å; Y243-I324 HydrophobicContact CG-CD1 4.27Å; Y243-V347 HydrophobicContact CD1-CB 4.25Å; Y243-V347 HydrophobicContact CD1-CG1 3.69Å; Y243-V347 HydrophobicContact CD1-CG2 3.59Å; Y243-V347 HydrophobicContact CD2-CG1 4.28Å; Y243-V347 HydrophobicContact CE1-CG1 3.76Å; Y243-V347 HydrophobicContact CE1-CG2 4.32Å; Y243-V347 HydrophobicContact CE2-CG1 4.32Å; Y243-V347 HydrophobicContact CG-CG1 3.99Å; Y243-V347 HydrophobicContact CG-CG2 4.02Å; Y243-Y350 HydrophobicContact CE1-CD1 4.12Å; Y243-V351 HydrophobicContact CE1-CG2 4.08Å; Y243-V351 WeakPolarHBondContact OH-CG2 3.44Å |
| 244 | C | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.5 | -41.7 | 179.7 | -67.7 | 0 | 0 | 0 | 0 | 111.8 | F196 W206 P240 M241 V247 R248 L249 | F196-C244 HydrophobicContact CE2-CB 3.84Å; F196-C244 HydrophobicContact CZ-CB 3.95Å; W206-C244 HydrophobicContact CH2-CB 4.38Å; P240-C244 PolarHBondContact O-N 3.18Å; P240-C244 PolarHBondContact O-SG 2.81Å; P240-C244 VanDerWaalsContact O-SG 3.41Å; M241-C244 PolarHBondContact O-N 2.6Å; C244-V247 PolarHBondContact O-N 3.24Å; C244-R248 WeakPolarHBondContact O-CA 3.41Å; C244-R248 PolarHBondContact O-N 3.32Å; C244-L249 HydrophobicContact CB-CB 4.21Å; C244-L249 PolarHBondContact O-N 3.19Å |
| 245 | Y | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -46.2 | 174.3 | 179.7 | -93.9 | 0 | 0 | 0 | 112.1 | W206 L209 T211 L212 P214 M241 Y243 V247 R248 E305 | W206-Y245 HydrophobicContact CD2-CD2 4.5Å; W206-Y245 AromaticContact CE3-CD2 3.48Å; W206-Y245 HydrophobicContact CE3-CD2 3.48Å; W206-Y245 VanDerWaalsContact CE3-CD2 3.48Å; W206-Y245 HydrophobicContact CE3-CE2 4.13Å; W206-Y245 HydrophobicContact CE3-CG 4.42Å; W206-Y245 AromaticContact CZ3-CD2 3.68Å; W206-Y245 HydrophobicContact CZ3-CD2 3.68Å; W206-Y245 HydrophobicContact CZ3-CG 4.34Å; L209-Y245 HydrophobicContact CD1-CD2 3.74Å; L209-Y245 HydrophobicContact CD1-CE2 3.55Å; T211-Y245 WeakPolarHBondContact CA-OH 3.26Å; T211-Y245 WeakPolarHBondContact OG1-CE1 3.34Å; L212-Y245 HydrophobicContact CB-CD1 4.17Å; L212-Y245 HydrophobicContact CB-CG 4.05Å; L212-Y245 HydrophobicContact CD1-CG 4.31Å; L212-Y245 HydrophobicContact CG-CD2 4.22Å; L212-Y245 HydrophobicContact CG-CG 4.09Å; P214-Y245 HydrophobicContact CG-CD1 4.26Å; M241-Y245 WeakPolarHBondContact O-CB 3.31Å; M241-Y245 PolarHBondContact O-N 3.41Å; Y243-Y245 VanDerWaalsContact C-N 3.29Å; Y243-Y245 PolarHBondContact O-N 3.06Å; Y245-V247 PolarHBondContact O-N 3.04Å; Y245-R248 WeakPolarHBondContact O-CD 3.32Å; Y245-R248 PolarHBondContact O-N 3.41Å; Y245-R248 PolarHBondContact O-NH1 2.93Å; Y245-R248 PolarHBondContact OH-NH2 2.78Å; Y245-E305 HydrophobicContact CE1-CG 4.47Å; Y245-E305 WeakPolarHBondContact CE1-OE1 3.48Å; Y245-E305 VanDerWaalsContact OH-CD 3.24Å; Y245-E305 VanDerWaalsContact OH-CG 3.27Å; Y245-E305 WeakPolarHBondContact OH-CG 3.36Å; Y245-E305 PolarHBondContact OH-OE1 3.43Å |
| 246 | A | 98.8 | Very high | 98.6 | Very high | 15 Ų | 15 | 34 Ų | 34 | 12% | 0.124 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.4 | -34.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P214 S242 Y243 V317 | P214-A246 HydrophobicContact CB-CB 4.17Å; P214-A246 HydrophobicContact CG-CB 3.68Å; S242-A246 VanDerWaalsContact O-CB 3.24Å; S242-A246 WeakPolarHBondContact O-CB 3.33Å; S242-A246 PolarHBondContact O-N 2.95Å; Y243-A246 WeakPolarHBondContact O-CB 3.38Å; Y243-A246 PolarHBondContact O-N 2.84Å; Y243-A246 VanDerWaalsContact O-N 3.12Å; A246-V317 HydrophobicContact CB-CG2 3.56Å |
| 247 | V | 98.8 | Very high | 98.6 | Very high | 41 Ų | 41 | 33.6 Ų | 33.6 | 25% | 0.248 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 0.6 | 179.4 | -52.9 | 0 | 0 | 0 | 0 | 113 | Y243 C244 Y245 L249 V317 Y350 | Y243-V247 HydrophobicContact CD1-CG2 4.39Å; Y243-V247 HydrophobicContact CE1-CG1 4.12Å; Y243-V247 HydrophobicContact CE1-CG2 4.12Å; Y243-V247 PolarHBondContact O-N 3.31Å; C244-V247 PolarHBondContact O-N 3.24Å; Y245-V247 PolarHBondContact O-N 3.04Å; V247-L249 VanDerWaalsContact C-N 3.27Å; V247-L249 HydrophobicContact CG2-CB 3.91Å; V247-L249 PolarHBondContact O-N 2.62Å; V247-V317 HydrophobicContact CG1-CG1 4.35Å; V247-V317 HydrophobicContact CG1-CG2 4.38Å; V247-Y350 HydrophobicContact CB-CE1 4.3Å; V247-Y350 HydrophobicContact CG2-CD1 4.49Å; V247-Y350 HydrophobicContact CG2-CE1 3.92Å |
| 248 | R | 98.7 | Very high | 98.6 | Very high | 73 Ų | 73 | 37.2 Ų | 37.2 | 28% | 0.275 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 48.4 | -174.8 | -59.9 | -64.4 | -164.9 | -91 | 1.1 | 111.7 | E207 C244 Y245 S250 E305 | E207-R248 IonicContact OE1-CZ 3.95Å; E207-R248 IonicContact OE1-NE 3.9Å; E207-R248 IonicContact OE1-NH2 2.93Å; E207-R248 PolarHBondContact OE1-NH2 3.28Å; C244-R248 WeakPolarHBondContact O-CA 3.41Å; C244-R248 PolarHBondContact O-N 3.32Å; Y245-R248 WeakPolarHBondContact O-CD 3.32Å; Y245-R248 PolarHBondContact O-N 3.41Å; Y245-R248 PolarHBondContact O-NH1 2.93Å; Y245-R248 PolarHBondContact OH-NH2 2.78Å; R248-S250 PolarHBondContact O-N 2.98Å; R248-S250 VanDerWaalsContact O-N 3.13Å; R248-E305 IonicContact CZ-OE1 3.09Å; R248-E305 IonicContact NH1-OE1 2.79Å; R248-E305 PolarHBondContact NH1-OE1 3.39Å; R248-E305 VanDerWaalsContact NH1-OE1 3.07Å; R248-E305 IonicContact NH2-OE1 3.49Å; R248-E305 PolarHBondContact NH2-OE1 2.86Å |
| 249 | L | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | trans | -60.8 | 116.8 | -178.3 | -168.6 | 162.7 | 0 | 0 | 0 | 109.2 | V200 W206 C244 V247 L346 Y350 | V200-L249 HydrophobicContact CG1-CD2 4.2Å; W206-L249 VanDerWaalsContact CZ2-O 3.23Å; W206-L249 WeakPolarHBondContact CZ2-O 3.25Å; W206-L249 PolarHBondContact NE1-O 2.92Å; C244-L249 HydrophobicContact CB-CB 4.21Å; C244-L249 PolarHBondContact O-N 3.19Å; V247-L249 VanDerWaalsContact C-N 3.27Å; V247-L249 HydrophobicContact CG2-CB 3.91Å; V247-L249 PolarHBondContact O-N 2.62Å; L249-L346 HydrophobicContact CD1-CD1 4.49Å; L249-L346 HydrophobicContact CD1-CD2 4.26Å; L249-L346 HydrophobicContact CD1-CG 3.98Å; L249-L346 HydrophobicContact CD2-CD1 4.27Å; L249-L346 HydrophobicContact CD2-CD2 3.94Å; L249-L346 HydrophobicContact CD2-CG 4.23Å; L249-Y350 HydrophobicContact CD1-CD1 4.46Å; L249-Y350 HydrophobicContact CD1-CD2 3.82Å; L249-Y350 HydrophobicContact CD1-CG 3.76Å; L249-Y350 HydrophobicContact CG-CD2 4.03Å; L249-Y350 HydrophobicContact CG-CE2 4.41Å; L249-Y350 HydrophobicContact CG-CG 4.45Å | ||
| 250 | S | 98.7 | Very high | 98.6 | Very high | 48 Ų | 48 | 38 Ų | 38 | 34% | 0.336 | 20% | 0.204 | S | C | . | . | trans | -136.9 | 142.4 | 179.9 | -73.9 | 0 | 0 | 0 | 0 | 110.5 | A199 V200 W206 R248 | A199-S250 PolarHBondContact O-OG 2.92Å; A199-S250 VanDerWaalsContact O-OG 3.1Å; V200-S250 CarbonylContact O-C 3.59Å; V200-S250 WeakPolarHBondContact O-CA 3.42Å; W206-S250 PolarHBondContact NE1-OG 3.33Å; R248-S250 PolarHBondContact O-N 2.98Å; R248-S250 VanDerWaalsContact O-N 3.13Å | ||
| 251 | A | 98.3 | Very high | 98.6 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | trans | -56.8 | 144.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I115 V200 N202 I257 | I115-A251 HydrophobicContact CD1-CB 4.12Å; I115-A251 HydrophobicContact CG1-CB 3.75Å; V200-A251 PolarHBondContact O-N 2.78Å; N202-A251 HydrophobicContact CB-CB 4.19Å; N202-A251 WeakPolarHBondContact CB-O 3.47Å; N202-A251 PolarHBondContact ND2-O 3.33Å; A251-I257 HydrophobicContact CB-CD1 3.56Å | ||
| 252 | E | 97.2 | Very high | 98.6 | Very high | 177 Ų | 177 | 45.2 Ų | 45.2 | 83% | 0.827 | 24% | 0.236 | S | C | * | . | trans | -62.5 | 141.6 | 167.6 | -65.9 | -176.5 | 171.9 | 0 | 0 | 110.1 | D254 I257 | E252-D254 PolarHBondContact O-N 3.27Å; E252-D254 VanDerWaalsContact O-N 3.15Å; E252-I257 WeakPolarHBondContact O-CD1 3.41Å | ||
| 253 | E | 97.4 | Very high | 98.6 | Very high | 116 Ų | 116 | 45.9 Ų | 45.9 | 54% | 0.542 | 24% | 0.239 | S | C | . | . | trans | -70.3 | 111.8 | -178.7 | -62.8 | -169.5 | 169.4 | 0 | 0 | 111.1 | R261 | E253-R261 VanDerWaalsContact CD-NH1 3.29Å; E253-R261 IonicContact OE1-CZ 3.53Å; E253-R261 IonicContact OE1-NH1 3.81Å; E253-R261 PolarHBondContact OE1-NH1 2.95Å; E253-R261 IonicContact OE1-NH2 3.39Å; E253-R261 PolarHBondContact OE1-NH2 3.15Å; E253-R261 IonicContact OE2-NH1 2.71Å | ||
| 254 | D | 98.1 | Very high | 98.6 | Very high | 36 Ų | 36 | 45.1 Ų | 45.1 | 19% | 0.193 | 24% | 0.236 | C | C | . | . | trans | -116.5 | 171.2 | 173.1 | 77.2 | 21.3 | 0 | 0 | 0 | 111.4 | H114 E252 L256 I257 L258 | H114-D254 IonicContact CE1-OD2 3.1Å; H114-D254 PolarHBondContact CE1-OD2 3.04Å; H114-D254 IonicContact NE2-OD2 2.69Å; H114-D254 PolarHBondContact NE2-OD2 3.4Å; E252-D254 PolarHBondContact O-N 3.27Å; E252-D254 VanDerWaalsContact O-N 3.15Å; D254-L256 PolarHBondContact O-N 3.1Å; D254-L256 WeakPolarHBondContact OD1-CA 3.32Å; D254-L256 WeakPolarHBondContact OD1-CB 3.44Å; D254-L256 PolarHBondContact OD1-N 3.36Å; D254-I257 PolarHBondContact O-N 3.14Å; D254-I257 VanDerWaalsContact O-N 3.13Å; D254-I257 PolarHBondContact OD1-N 2.97Å; D254-L258 WeakPolarHBondContact O-CG 3.41Å; D254-L258 PolarHBondContact O-N 3.21Å | ||
| 255 | P | 98.6 | Very high | 98.6 | Very high | 108 Ų | 108 | 45.5 Ų | 45.5 | 70% | 0.701 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -57.2 | -32.3 | -177.4 | -27.9 | 36.6 | 0 | 0 | 0 | 114.3 | S259 | P255-S259 WeakPolarHBondContact O-CB 3.43Å; P255-S259 PolarHBondContact O-N 2.71Å |
| 256 | L | 98.7 | Very high | 98.5 | Very high | 31 Ų | 31 | 49.5 Ų | 49.5 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.2 | -46.3 | 177.8 | 170.6 | 63.4 | 0 | 0 | 0 | 110.2 | R163 I164 D254 L258 S259 L260 | R163-L256 HydrophobicContact CB-CD1 3.9Å; I164-L256 HydrophobicContact CB-CD2 4.49Å; I164-L256 HydrophobicContact CG1-CD2 3.92Å; D254-L256 PolarHBondContact O-N 3.1Å; D254-L256 WeakPolarHBondContact OD1-CA 3.32Å; D254-L256 WeakPolarHBondContact OD1-CB 3.44Å; D254-L256 PolarHBondContact OD1-N 3.36Å; L256-L258 VanDerWaalsContact C-N 3.34Å; L256-L258 PolarHBondContact O-N 2.73Å; L256-S259 WeakPolarHBondContact O-CB 3.43Å; L256-S259 PolarHBondContact O-N 3.5Å; L256-L260 HydrophobicContact CD1-CD1 4.07Å; L256-L260 HydrophobicContact CD1-CG 4.03Å; L256-L260 HydrophobicContact CG-CD1 4Å; L256-L260 HydrophobicContact CG-CG 4.4Å; L256-L260 WeakPolarHBondContact O-CB 3.49Å; L256-L260 WeakPolarHBondContact O-CG 3.46Å; L256-L260 PolarHBondContact O-N 2.88Å |
| 257 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 177.9 | -72.7 | 163.2 | 0 | 0 | 0 | 111 | L201 N202 V203 A251 E252 D254 S259 L260 R261 | L201-I257 HydrophobicContact CD1-CD1 4.49Å; L201-I257 HydrophobicContact CD1-CG1 4.29Å; L201-I257 HydrophobicContact CG-CG1 4.48Å; L201-I257 WeakPolarHBondContact O-CD1 3.28Å; N202-I257 HydrophobicContact CB-CG2 4.4Å; V203-I257 HydrophobicContact CG1-CB 4.35Å; V203-I257 HydrophobicContact CG1-CG1 4.46Å; V203-I257 HydrophobicContact CG1-CG2 3.88Å; A251-I257 HydrophobicContact CB-CD1 3.56Å; E252-I257 WeakPolarHBondContact O-CD1 3.41Å; D254-I257 PolarHBondContact O-N 3.14Å; D254-I257 VanDerWaalsContact O-N 3.13Å; D254-I257 PolarHBondContact OD1-N 2.97Å; I257-S259 VanDerWaalsContact C-N 3.31Å; I257-S259 PolarHBondContact O-N 3.46Å; I257-L260 PolarHBondContact O-N 3Å; I257-R261 WeakPolarHBondContact O-CG 3.34Å; I257-R261 PolarHBondContact O-N 3.21Å; I257-R261 VanDerWaalsContact O-N 3.09Å |
| 258 | L | 98.6 | Very high | 98.3 | Very high | 83 Ų | 83 | 54.7 Ų | 54.7 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 176.8 | -65.5 | 177.8 | 0 | 0 | 0 | 112 | D254 L256 | D254-L258 WeakPolarHBondContact O-CG 3.41Å; D254-L258 PolarHBondContact O-N 3.21Å; L256-L258 VanDerWaalsContact C-N 3.34Å; L256-L258 PolarHBondContact O-N 2.73Å |
| 259 | S | 98.8 | Very high | 98.3 | Very high | 42 Ų | 42 | 52.8 Ų | 52.8 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.9 | -47.6 | 175.6 | -158.9 | 0 | 0 | 0 | 0 | 111.5 | P255 L256 I257 R261 Q262 E263 | P255-S259 WeakPolarHBondContact O-CB 3.43Å; P255-S259 PolarHBondContact O-N 2.71Å; L256-S259 WeakPolarHBondContact O-CB 3.43Å; L256-S259 PolarHBondContact O-N 3.5Å; I257-S259 VanDerWaalsContact C-N 3.31Å; I257-S259 PolarHBondContact O-N 3.46Å; S259-R261 VanDerWaalsContact C-N 3.27Å; S259-R261 PolarHBondContact O-N 3.42Å; S259-Q262 WeakPolarHBondContact O-CA 3.44Å; S259-Q262 WeakPolarHBondContact O-CB 3.43Å; S259-Q262 PolarHBondContact O-N 3Å; S259-E263 VanDerWaalsContact CB-OE1 3.28Å; S259-E263 WeakPolarHBondContact CB-OE1 3.47Å; S259-E263 VanDerWaalsContact O-CG 3.29Å; S259-E263 WeakPolarHBondContact O-CG 3.35Å; S259-E263 PolarHBondContact O-N 2.91Å; S259-E263 PolarHBondContact OG-OE1 3.1Å |
| 260 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.3 | -36.5 | 178.8 | -75.3 | 172.7 | 0 | 0 | 0 | 112.8 | Y159 T160 R163 L201 V203 L256 I257 Q262 E263 L264 | Y159-L260 HydrophobicContact CD1-CD2 4.34Å; Y159-L260 HydrophobicContact CE1-CD2 4.01Å; T160-L260 HydrophobicContact CG2-CD1 4.12Å; R163-L260 HydrophobicContact CB-CD2 4Å; R163-L260 HydrophobicContact CG-CD2 3.92Å; L201-L260 HydrophobicContact CD2-CD1 3.9Å; V203-L260 HydrophobicContact CB-CB 4.5Å; V203-L260 HydrophobicContact CG1-CB 3.76Å; V203-L260 HydrophobicContact CG1-CD1 4.25Å; L256-L260 HydrophobicContact CD1-CD1 4.07Å; L256-L260 HydrophobicContact CD1-CG 4.03Å; L256-L260 HydrophobicContact CG-CD1 4Å; L256-L260 HydrophobicContact CG-CG 4.4Å; L256-L260 WeakPolarHBondContact O-CB 3.49Å; L256-L260 WeakPolarHBondContact O-CG 3.46Å; L256-L260 PolarHBondContact O-N 2.88Å; I257-L260 PolarHBondContact O-N 3Å; L260-Q262 PolarHBondContact O-N 3.38Å; L260-E263 PolarHBondContact O-N 3.4Å; L260-E263 VanDerWaalsContact O-N 3.11Å; L260-L264 HydrophobicContact CB-CD1 4.24Å; L260-L264 HydrophobicContact CD2-CD1 4.44Å; L260-L264 HydrophobicContact CD2-CG 4.43Å; L260-L264 WeakPolarHBondContact O-CB 3.04Å; L260-L264 WeakPolarHBondContact O-CG 3.21Å; L260-L264 PolarHBondContact O-N 2.92Å |
| 261 | R | 98.8 | Very high | 98.2 | Very high | 27 Ų | 27 | 58.4 Ų | 58.4 | 10% | 0.102 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60 | -27.7 | 173.7 | -72.3 | 173.5 | 175.4 | 179.5 | -1.3 | 113 | N202 V203 E253 I257 S259 F265 F269 | N202-R261 VanDerWaalsContact CG-NH2 3.28Å; N202-R261 VanDerWaalsContact O-CZ 3.25Å; N202-R261 PolarHBondContact O-NE 2.88Å; N202-R261 PolarHBondContact O-NH2 3.44Å; N202-R261 PolarHBondContact OD1-NH2 3.23Å; V203-R261 HydrophobicContact CB-CG 4.2Å; V203-R261 HydrophobicContact CG1-CG 4.24Å; E253-R261 VanDerWaalsContact CD-NH1 3.29Å; E253-R261 IonicContact OE1-CZ 3.53Å; E253-R261 IonicContact OE1-NH1 3.81Å; E253-R261 PolarHBondContact OE1-NH1 2.95Å; E253-R261 IonicContact OE1-NH2 3.39Å; E253-R261 PolarHBondContact OE1-NH2 3.15Å; E253-R261 IonicContact OE2-NH1 2.71Å; I257-R261 WeakPolarHBondContact O-CG 3.34Å; I257-R261 PolarHBondContact O-N 3.21Å; I257-R261 VanDerWaalsContact O-N 3.09Å; S259-R261 VanDerWaalsContact C-N 3.27Å; S259-R261 PolarHBondContact O-N 3.42Å; R261-F265 WeakPolarHBondContact O-CD2 3.2Å; R261-F269 HydrophobicContact CB-CB 4.36Å; R261-F269 HydrophobicContact CB-CD1 4.1Å; R261-F269 HydrophobicContact CB-CD2 3.81Å; R261-F269 HydrophobicContact CB-CE1 4.37Å; R261-F269 HydrophobicContact CB-CE2 4.1Å; R261-F269 HydrophobicContact CB-CG 3.81Å; R261-F269 HydrophobicContact CB-CZ 4.37Å; R261-F269 VanDerWaalsContact CD-CE1 3.47Å; R261-F269 HydrophobicContact CG-CD1 4.14Å; R261-F269 HydrophobicContact CG-CD2 3.93Å; R261-F269 HydrophobicContact CG-CE1 3.89Å; R261-F269 HydrophobicContact CG-CE2 3.67Å; R261-F269 HydrophobicContact CG-CG 4.16Å; R261-F269 HydrophobicContact CG-CZ 3.65Å |
| 262 | Q | 98.6 | Very high | 98.2 | Very high | 126 Ų | 126 | 58.8 Ų | 58.8 | 59% | 0.589 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -91.1 | -20.5 | 175.7 | -55.4 | -55.5 | -46.4 | 0 | 0 | 112.8 | S259 L260 | S259-Q262 WeakPolarHBondContact O-CA 3.44Å; S259-Q262 WeakPolarHBondContact O-CB 3.43Å; S259-Q262 PolarHBondContact O-N 3Å; L260-Q262 PolarHBondContact O-N 3.38Å |
| 263 | E | 98.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 54.8 Ų | 54.8 | 7% | 0.065 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -90.5 | -36.9 | -175.5 | -67.3 | 166.8 | -145.5 | 0 | 0 | 113 | Y159 R163 P169 R178 H182 S259 L260 | Y159-E263 HydrophobicContact CE1-CB 4.08Å; Y159-E263 WeakPolarHBondContact CE1-OE2 3.12Å; Y159-E263 VanDerWaalsContact CZ-OE2 3.24Å; Y159-E263 PolarHBondContact OH-OE2 2.9Å; R163-E263 IonicContact CZ-OE1 2.98Å; R163-E263 IonicContact CZ-OE2 3.29Å; R163-E263 IonicContact NE-OE1 3.3Å; R163-E263 PolarHBondContact NE-OE1 3.28Å; R163-E263 IonicContact NE-OE2 3.03Å; R163-E263 PolarHBondContact NE-OE2 2.78Å; R163-E263 IonicContact NH2-OE1 2.93Å; R163-E263 PolarHBondContact NH2-OE1 2.83Å; R163-E263 VanDerWaalsContact NH2-OE1 3.09Å; R163-E263 IonicContact NH2-OE2 2.7Å; P169-E263 HydrophobicContact CB-CG 4.49Å; R178-E263 WeakPolarHBondContact CD-O 3.46Å; H182-E263 PolarHBondContact NE2-O 3.42Å; S259-E263 VanDerWaalsContact CB-OE1 3.28Å; S259-E263 WeakPolarHBondContact CB-OE1 3.47Å; S259-E263 VanDerWaalsContact O-CG 3.29Å; S259-E263 WeakPolarHBondContact O-CG 3.35Å; S259-E263 PolarHBondContact O-N 2.91Å; S259-E263 PolarHBondContact OG-OE1 3.1Å; L260-E263 PolarHBondContact O-N 3.4Å; L260-E263 VanDerWaalsContact O-N 3.11Å |
| 264 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -84.4 | -15.9 | -167.4 | -68.3 | 176.5 | 0 | 0 | 0 | 115 | Y159 L181 A187 L198 V203 L260 | Y159-L264 HydrophobicContact CD1-CD2 3.69Å; Y159-L264 HydrophobicContact CE1-CD2 4.14Å; L181-L264 HydrophobicContact CD2-CD2 3.97Å; A187-L264 HydrophobicContact CB-CB 4.01Å; A187-L264 WeakPolarHBondContact CB-O 3.08Å; A187-L264 PolarHBondContact N-O 3.06Å; L198-L264 HydrophobicContact CD2-CD1 4.32Å; V203-L264 HydrophobicContact CB-CD1 4.41Å; V203-L264 HydrophobicContact CG2-CD1 3.89Å; L260-L264 HydrophobicContact CB-CD1 4.24Å; L260-L264 HydrophobicContact CD2-CD1 4.44Å; L260-L264 HydrophobicContact CD2-CG 4.43Å; L260-L264 WeakPolarHBondContact O-CB 3.04Å; L260-L264 WeakPolarHBondContact O-CG 3.21Å; L260-L264 PolarHBondContact O-N 2.92Å |
| 265 | F | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | trans | -118.2 | 148.1 | -170.2 | -57.6 | -81.2 | 0 | 0 | 0 | 111.5 | H182 A187 V188 V203 Y204 R261 F269 I272 W274 | H182-F265 PolarHBondContact CE1-O 3.18Å; H182-F265 PolarHBondContact NE2-O 2.56Å; A187-F265 HydrophobicContact CB-CD1 4.12Å; A187-F265 HydrophobicContact CB-CE1 3.75Å; A187-F265 HydrophobicContact CB-CZ 4.14Å; V188-F265 HydrophobicContact CG1-CD1 3.69Å; V188-F265 HydrophobicContact CG1-CE1 3.91Å; V203-F265 WeakPolarHBondContact O-CE2 3.46Å; V203-F265 WeakPolarHBondContact O-CZ 3.38Å; Y204-F265 HydrophobicContact CD2-CE1 4.17Å; Y204-F265 HydrophobicContact CD2-CZ 4.2Å; R261-F265 WeakPolarHBondContact O-CD2 3.2Å; F265-F269 AromaticContact CD2-CD2 3.71Å; F265-F269 HydrophobicContact CD2-CD2 3.71Å; F265-F269 HydrophobicContact CD2-CE2 4.31Å; F265-F269 AromaticContact CE2-CD2 3.61Å; F265-F269 HydrophobicContact CE2-CD2 3.61Å; F265-F269 AromaticContact CE2-CE2 3.73Å; F265-F269 HydrophobicContact CE2-CE2 3.73Å; F265-F269 HydrophobicContact CZ-CD2 4.36Å; F265-F269 HydrophobicContact CZ-CE2 4.21Å; F265-I272 HydrophobicContact CB-CD1 4.19Å; F265-I272 HydrophobicContact CD1-CD1 3.67Å; F265-I272 HydrophobicContact CD2-CD1 4.39Å; F265-I272 HydrophobicContact CE1-CD1 4.1Å; F265-I272 HydrophobicContact CG-CD1 3.81Å; F265-W274 AromaticContact CE1-CH2 3.97Å; F265-W274 HydrophobicContact CE1-CH2 3.97Å; F265-W274 HydrophobicContact CE1-CZ3 4.31Å; F265-W274 AromaticContact CZ-CH2 3.91Å; F265-W274 HydrophobicContact CZ-CH2 3.91Å | ||
| 266 | V | 98.3 | Very high | 98.3 | Very high | 84 Ų | 84 | 50.1 Ų | 50.1 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -80.2 | -41.9 | 177 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | H182 | H182-V266 HydrophobicContact CB-CG2 3.94Š|
| 267 | Q | 96.1 | Very high | 98.3 | Very high | 68 Ų | 68 | 49.9 Ų | 49.9 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -84.7 | 160.2 | 174.7 | 62.9 | -89.3 | 29.4 | 0 | 0 | 112 | F269 I272 | Q267-F269 PolarHBondContact O-N 2.73Å; Q267-I272 HydrophobicContact CG-CD1 4.15Å; Q267-I272 HydrophobicContact CG-CG1 3.53Å |
| 268 | D | 97.5 | Very high | 98.3 | Very high | 97 Ų | 97 | 52.3 Ų | 52.3 | 52% | 0.519 | 30% | 0.299 | S | S | . | . | trans | -56.3 | 123.3 | 170 | 179.2 | -5.6 | 0 | 0 | 0 | 110.1 | A270 S271 | D268-A270 PolarHBondContact O-N 3.3Å; D268-A270 PolarHBondContact OD1-N 3.41Å; D268-A270 VanDerWaalsContact OD1-N 3.07Å; D268-S271 PolarHBondContact O-N 2.93Å; D268-S271 PolarHBondContact O-OG 3.03Å | ||
| 269 | F | 98.3 | Very high | 98.3 | Very high | 33 Ų | 33 | 53.4 Ų | 53.4 | 15% | 0.145 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -50.9 | -41.9 | -178.2 | -176.1 | -98.2 | 0 | 0 | 0 | 113.2 | V203 R261 F265 Q267 S271 I272 W274 | V203-F269 VanDerWaalsContact O-CE2 3.29Å; V203-F269 WeakPolarHBondContact O-CE2 3.36Å; R261-F269 HydrophobicContact CB-CB 4.36Å; R261-F269 HydrophobicContact CB-CD1 4.1Å; R261-F269 HydrophobicContact CB-CD2 3.81Å; R261-F269 HydrophobicContact CB-CE1 4.37Å; R261-F269 HydrophobicContact CB-CE2 4.1Å; R261-F269 HydrophobicContact CB-CG 3.81Å; R261-F269 HydrophobicContact CB-CZ 4.37Å; R261-F269 VanDerWaalsContact CD-CE1 3.47Å; R261-F269 HydrophobicContact CG-CD1 4.14Å; R261-F269 HydrophobicContact CG-CD2 3.93Å; R261-F269 HydrophobicContact CG-CE1 3.89Å; R261-F269 HydrophobicContact CG-CE2 3.67Å; R261-F269 HydrophobicContact CG-CG 4.16Å; R261-F269 HydrophobicContact CG-CZ 3.65Å; F265-F269 AromaticContact CD2-CD2 3.71Å; F265-F269 HydrophobicContact CD2-CD2 3.71Å; F265-F269 HydrophobicContact CD2-CE2 4.31Å; F265-F269 AromaticContact CE2-CD2 3.61Å; F265-F269 HydrophobicContact CE2-CD2 3.61Å; F265-F269 AromaticContact CE2-CE2 3.73Å; F265-F269 HydrophobicContact CE2-CE2 3.73Å; F265-F269 HydrophobicContact CZ-CD2 4.36Å; F265-F269 HydrophobicContact CZ-CE2 4.21Å; Q267-F269 PolarHBondContact O-N 2.73Å; F269-S271 PolarHBondContact O-N 2.94Å; F269-I272 HydrophobicContact CD2-CD1 4.13Å; F269-I272 PolarHBondContact O-N 3.21Å; F269-W274 HydrophobicContact CD2-CH2 4.31Å; F269-W274 HydrophobicContact CD2-CZ2 4.03Å; F269-W274 AromaticContact CE2-CH2 3.76Å; F269-W274 HydrophobicContact CE2-CH2 3.76Å; F269-W274 AromaticContact CE2-CZ2 3.47Å; F269-W274 HydrophobicContact CE2-CZ2 3.47Å; F269-W274 VanDerWaalsContact CE2-CZ2 3.47Å; F269-W274 HydrophobicContact CZ-CH2 4.42Å; F269-W274 AromaticContact CZ-CZ2 3.77Å; F269-W274 HydrophobicContact CZ-CZ2 3.77Å |
| 270 | A | 97.6 | Very high | 98.3 | Very high | 92 Ų | 92 | 54.2 Ų | 54.2 | 76% | 0.76 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -69 | -19.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D268 | D268-A270 PolarHBondContact O-N 3.3Å; D268-A270 PolarHBondContact OD1-N 3.41Å; D268-A270 VanDerWaalsContact OD1-N 3.07Å |
| 271 | S | 98 | Very high | 98.3 | Very high | 80 Ų | 80 | 55.4 Ų | 55.4 | 56% | 0.559 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -94.3 | -4.9 | -178 | 75.8 | 0 | 0 | 0 | 0 | 114.1 | D268 F269 N273 | D268-S271 PolarHBondContact O-N 2.93Å; D268-S271 PolarHBondContact O-OG 3.03Å; F269-S271 PolarHBondContact O-N 2.94Å; S271-N273 PolarHBondContact O-N 3.06Å |
| 272 | I | 98.7 | Very high | 98.2 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 6% | 0.062 | 31% | 0.314 | C | S | . | . | trans | -65.9 | 120.4 | -175.8 | -62.6 | 172.8 | 0 | 0 | 0 | 110.4 | V188 F265 Q267 F269 W274 Q277 | V188-I272 HydrophobicContact CG1-CD1 4.04Å; V188-I272 HydrophobicContact CG1-CG2 4.01Å; F265-I272 HydrophobicContact CB-CD1 4.19Å; F265-I272 HydrophobicContact CD1-CD1 3.67Å; F265-I272 HydrophobicContact CD2-CD1 4.39Å; F265-I272 HydrophobicContact CE1-CD1 4.1Å; F265-I272 HydrophobicContact CG-CD1 3.81Å; Q267-I272 HydrophobicContact CG-CD1 4.15Å; Q267-I272 HydrophobicContact CG-CG1 3.53Å; F269-I272 HydrophobicContact CD2-CD1 4.13Å; F269-I272 PolarHBondContact O-N 3.21Å; I272-W274 HydrophobicContact CB-CD2 4.22Å; I272-W274 HydrophobicContact CB-CH2 4.21Å; I272-W274 HydrophobicContact CB-CZ2 3.87Å; I272-W274 HydrophobicContact CD1-CH2 3.55Å; I272-W274 HydrophobicContact CD1-CZ2 3.74Å; I272-W274 HydrophobicContact CD1-CZ3 4.27Å; I272-W274 HydrophobicContact CG1-CH2 4.47Å; I272-W274 HydrophobicContact CG1-CZ2 4.36Å; I272-W274 HydrophobicContact CG2-CD2 3.64Å; I272-W274 HydrophobicContact CG2-CE3 3.6Å; I272-W274 HydrophobicContact CG2-CG 4.29Å; I272-W274 HydrophobicContact CG2-CH2 3.91Å; I272-W274 HydrophobicContact CG2-CZ2 3.94Å; I272-W274 HydrophobicContact CG2-CZ3 3.73Å; I272-W274 PolarHBondContact O-N 2.99Å; I272-Q277 HydrophobicContact CG2-CG 4.03Å | ||
| 273 | N | 98.3 | Very high | 98.2 | Very high | 94 Ų | 94 | 53.3 Ų | 53.3 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | trans | -75.6 | 87.9 | 167.5 | -180 | -3.2 | 0 | 0 | 0 | 110 | S271 S275 A276 Q277 | S271-N273 PolarHBondContact O-N 3.06Å; N273-S275 PolarHBondContact O-N 3.16Å; N273-S275 PolarHBondContact OD1-N 3.13Å; N273-S275 PolarHBondContact OD1-OG 3.22Å; N273-A276 HydrophobicContact CB-CB 4.32Å; N273-A276 PolarHBondContact O-N 3.25Å; N273-Q277 WeakPolarHBondContact O-CG 3.37Å; N273-Q277 PolarHBondContact O-NE2 3.42Å | ||
| 274 | W | 98.6 | Very high | 98.1 | Very high | 41 Ų | 41 | 55.8 Ų | 55.8 | 16% | 0.155 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -55.8 | -44.5 | -175.6 | -67.1 | 114.5 | 0 | 0 | 0 | 113.5 | Y204 S205 G208 F265 F269 I272 A276 Q277 | Y204-W274 HydrophobicContact CD1-CE3 4.25Å; Y204-W274 HydrophobicContact CD1-CZ3 4.02Å; Y204-W274 HydrophobicContact CD2-CE3 4.43Å; Y204-W274 HydrophobicContact CD2-CH2 4.21Å; Y204-W274 AromaticContact CD2-CZ3 3.54Å; Y204-W274 HydrophobicContact CD2-CZ3 3.54Å; Y204-W274 AromaticContact CE1-CE3 3.99Å; Y204-W274 HydrophobicContact CE1-CE3 3.99Å; Y204-W274 HydrophobicContact CE1-CZ3 4.04Å; Y204-W274 HydrophobicContact CE2-CE3 4.22Å; Y204-W274 AromaticContact CE2-CZ3 3.59Å; Y204-W274 HydrophobicContact CE2-CZ3 3.59Å; Y204-W274 HydrophobicContact CG-CE3 4.42Å; Y204-W274 HydrophobicContact CG-CH2 4.31Å; Y204-W274 AromaticContact CG-CZ3 3.74Å; Y204-W274 HydrophobicContact CG-CZ3 3.74Å; Y204-W274 AromaticContact CZ-CE3 3.95Å; Y204-W274 AromaticContact CZ-CZ3 3.81Å; S205-W274 VanDerWaalsContact CB-CD1 3.49Å; G208-W274 WeakPolarHBondContact CA-O 3.28Å; F265-W274 AromaticContact CE1-CH2 3.97Å; F265-W274 HydrophobicContact CE1-CH2 3.97Å; F265-W274 HydrophobicContact CE1-CZ3 4.31Å; F265-W274 AromaticContact CZ-CH2 3.91Å; F265-W274 HydrophobicContact CZ-CH2 3.91Å; F269-W274 HydrophobicContact CD2-CH2 4.31Å; F269-W274 HydrophobicContact CD2-CZ2 4.03Å; F269-W274 AromaticContact CE2-CH2 3.76Å; F269-W274 HydrophobicContact CE2-CH2 3.76Å; F269-W274 AromaticContact CE2-CZ2 3.47Å; F269-W274 HydrophobicContact CE2-CZ2 3.47Å; F269-W274 VanDerWaalsContact CE2-CZ2 3.47Å; F269-W274 HydrophobicContact CZ-CH2 4.42Å; F269-W274 AromaticContact CZ-CZ2 3.77Å; F269-W274 HydrophobicContact CZ-CZ2 3.77Å; I272-W274 HydrophobicContact CB-CD2 4.22Å; I272-W274 HydrophobicContact CB-CH2 4.21Å; I272-W274 HydrophobicContact CB-CZ2 3.87Å; I272-W274 HydrophobicContact CD1-CH2 3.55Å; I272-W274 HydrophobicContact CD1-CZ2 3.74Å; I272-W274 HydrophobicContact CD1-CZ3 4.27Å; I272-W274 HydrophobicContact CG1-CH2 4.47Å; I272-W274 HydrophobicContact CG1-CZ2 4.36Å; I272-W274 HydrophobicContact CG2-CD2 3.64Å; I272-W274 HydrophobicContact CG2-CE3 3.6Å; I272-W274 HydrophobicContact CG2-CG 4.29Å; I272-W274 HydrophobicContact CG2-CH2 3.91Å; I272-W274 HydrophobicContact CG2-CZ2 3.94Å; I272-W274 HydrophobicContact CG2-CZ3 3.73Å; I272-W274 PolarHBondContact O-N 2.99Å; W274-A276 PolarHBondContact O-N 3.33Å; W274-A276 VanDerWaalsContact O-N 3.15Å; W274-Q277 HydrophobicContact CE3-CG 4.43Å; W274-Q277 WeakPolarHBondContact O-CA 3.27Å; W274-Q277 WeakPolarHBondContact O-CB 3.46Å; W274-Q277 PolarHBondContact O-N 2.86Å |
| 275 | S | 97.5 | Very high | 98 | Very high | 64 Ų | 64 | 56.4 Ų | 56.4 | 45% | 0.448 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -57.4 | -34.3 | -178.9 | 69.8 | 0 | 0 | 0 | 0 | 113.4 | N273 Q277 R278 | N273-S275 PolarHBondContact O-N 3.16Å; N273-S275 PolarHBondContact OD1-N 3.13Å; N273-S275 PolarHBondContact OD1-OG 3.22Å; S275-Q277 PolarHBondContact O-N 3.23Å; S275-R278 WeakPolarHBondContact O-CG 3.31Å; S275-R278 PolarHBondContact O-N 3.23Å |
| 276 | A | 98.2 | Very high | 98 | Very high | 57 Ų | 57 | 59.2 Ų | 59.2 | 47% | 0.471 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -71.9 | -16.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N273 W274 | N273-A276 HydrophobicContact CB-CB 4.32Å; N273-A276 PolarHBondContact O-N 3.25Å; W274-A276 PolarHBondContact O-N 3.33Å; W274-A276 VanDerWaalsContact O-N 3.15Å |
| 277 | Q | 98.7 | Very high | 98 | Very high | 25 Ų | 25 | 58.6 Ų | 58.6 | 12% | 0.117 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -86.6 | -9.2 | -179.4 | -45.6 | -40.3 | -54.5 | 0 | 0 | 112.8 | V188 K195 Y204 G208 I272 N273 W274 S275 N279 N280 | V188-Q277 HydrophobicContact CB-CG 4.25Å; V188-Q277 HydrophobicContact CG1-CG 4.25Å; K195-Q277 PolarHBondContact NZ-O 2.74Å; Y204-Q277 VanDerWaalsContact OH-CB 3.22Å; Y204-Q277 WeakPolarHBondContact OH-CB 3.36Å; G208-Q277 CarbonylContact O-C 3.51Å; I272-Q277 HydrophobicContact CG2-CG 4.03Å; N273-Q277 WeakPolarHBondContact O-CG 3.37Å; N273-Q277 PolarHBondContact O-NE2 3.42Å; W274-Q277 HydrophobicContact CE3-CG 4.43Å; W274-Q277 WeakPolarHBondContact O-CA 3.27Å; W274-Q277 WeakPolarHBondContact O-CB 3.46Å; W274-Q277 PolarHBondContact O-N 2.86Å; S275-Q277 PolarHBondContact O-N 3.23Å; Q277-N279 VanDerWaalsContact C-N 3.29Å; Q277-N279 PolarHBondContact O-N 2.71Å; Q277-N280 HydrophobicContact CB-CB 4.39Å; Q277-N280 WeakPolarHBondContact O-CB 3.21Å; Q277-N280 PolarHBondContact O-N 2.85Å; Q277-N280 PolarHBondContact OE1-ND2 3.47Å |
| 278 | R | 98.4 | Very high | 98.1 | Very high | 52 Ų | 52 | 56.7 Ų | 56.7 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -45.5 | -176.6 | -69.2 | 177.2 | 179.5 | 168.4 | -4.6 | 113.2 | K195 E207 G208 N210 S275 | K195-R278 PolarHBondContact NZ-O 3.35Å; E207-R278 PolarHBondContact O-NE 2.89Å; E207-R278 PolarHBondContact O-NH2 3.22Å; E207-R278 IonicContact OE2-NH2 3.31Å; E207-R278 PolarHBondContact OE2-NH2 3.47Å; E207-R278 VanDerWaalsContact OE2-NH2 3.1Å; G208-R278 WeakPolarHBondContact O-CA 3.25Å; G208-R278 PolarHBondContact O-N 3.01Å; N210-R278 PolarHBondContact ND2-O 2.89Å; S275-R278 WeakPolarHBondContact O-CG 3.31Å; S275-R278 PolarHBondContact O-N 3.23Å |
| 279 | N | 98.3 | Very high | 98.1 | Very high | 106 Ų | 106 | 56 Ų | 56 | 57% | 0.567 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 8.7 | 178.4 | -61.4 | -27.4 | 0 | 0 | 0 | 113.3 | N210 Q277 V281 | N210-N279 PolarHBondContact ND2-OD1 3.47Å; Q277-N279 VanDerWaalsContact C-N 3.29Å; Q277-N279 PolarHBondContact O-N 2.71Å; N279-V281 PolarHBondContact O-N 3.48Å |
| 280 | N | 98.6 | Very high | 98.1 | Very high | 58 Ų | 58 | 56.2 Ų | 56.2 | 31% | 0.31 | 34% | 0.344 | S | S | . | . | trans | -79.3 | 110.3 | 173.1 | -174.6 | 7 | 0 | 0 | 0 | 108.8 | K195 Q277 | K195-N280 WeakPolarHBondContact CE-O 3.22Å; K195-N280 PolarHBondContact NZ-O 2.89Å; Q277-N280 HydrophobicContact CB-CB 4.39Å; Q277-N280 WeakPolarHBondContact O-CB 3.21Å; Q277-N280 PolarHBondContact O-N 2.85Å; Q277-N280 PolarHBondContact OE1-ND2 3.47Å | ||
| 281 | V | 98.7 | Very high | 98.1 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 16% | 0.158 | 32% | 0.317 | C | S | . | . | trans | -135 | 130.7 | 172.6 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | G189 P191 N279 D285 L286 E520 | G189-V281 CarbonylContact O-C 3.46Å; G189-V281 WeakPolarHBondContact O-CA 3.39Å; P191-V281 HydrophobicContact CB-CG1 4.3Å; P191-V281 HydrophobicContact CG-CG1 3.97Å; N279-V281 PolarHBondContact O-N 3.48Å; V281-D285 HydrophobicContact CG1-CB 4.4Å; V281-L286 HydrophobicContact CG1-CD1 4.21Å; V281-E520 HydrophobicContact CG1-CB 4.39Å; V281-E520 HydrophobicContact CG2-CG 4.16Å | ||
| 282 | A | 98.3 | Very high | 98.2 | Very high | 14 Ų | 14 | 55 Ų | 55 | 12% | 0.116 | 33% | 0.325 | C | S | . | . | trans | -62.8 | 138.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V152 G189 C284 D285 L286 | V152-A282 HydrophobicContact CB-CB 4.19Å; V152-A282 HydrophobicContact CG2-CB 3.53Å; G189-A282 PolarHBondContact O-N 2.89Å; A282-C284 PolarHBondContact O-N 2.99Å; A282-C284 VanDerWaalsContact O-N 3.14Å; A282-D285 PolarHBondContact O-N 2.8Å; A282-L286 PolarHBondContact O-N 3.49Å | ||
| 283 | A | 97.7 | Very high | 98.1 | Very high | 94 Ų | 94 | 58.7 Ų | 58.7 | 78% | 0.777 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D285 L286 | A283-D285 VanDerWaalsContact C-N 3.25Å; A283-D285 PolarHBondContact O-N 3.25Å; A283-L286 PolarHBondContact O-N 2.79Å |
| 284 | C | 96.5 | Very high | 98.1 | Very high | 67 Ų | 67 | 54.6 Ų | 54.6 | 45% | 0.453 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -15 | 176.8 | 56.9 | 0 | 0 | 0 | 0 | 114.1 | A282 | A282-C284 PolarHBondContact O-N 2.99Å; A282-C284 VanDerWaalsContact O-N 3.14Å |
| 285 | D | 97.9 | Very high | 98.1 | Very high | 13 Ų | 13 | 54.8 Ų | 54.8 | 7% | 0.07 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -14.3 | 176.9 | -70.9 | -83.5 | 0 | 0 | 0 | 112.7 | T151 V152 F153 P191 V281 A282 A283 Y287 V521 | T151-D285 WeakPolarHBondContact CB-OD1 3.2Å; T151-D285 PolarHBondContact OG1-OD1 3.26Å; V152-D285 VanDerWaalsContact CB-OD2 3.31Å; V152-D285 WeakPolarHBondContact CB-OD2 3.2Å; V152-D285 PolarHBondContact N-OD2 2.98Å; F153-D285 WeakPolarHBondContact CB-OD1 3.2Å; F153-D285 PolarHBondContact N-OD1 3.45Å; F153-D285 VanDerWaalsContact N-OD1 3.16Å; P191-D285 HydrophobicContact CG-CB 3.47Å; P191-D285 VanDerWaalsContact CG-CB 3.47Å; V281-D285 HydrophobicContact CG1-CB 4.4Å; A282-D285 PolarHBondContact O-N 2.8Å; A283-D285 VanDerWaalsContact C-N 3.25Å; A283-D285 PolarHBondContact O-N 3.25Å; D285-Y287 PolarHBondContact O-N 3.22Å; D285-V521 HydrophobicContact CB-CG1 4.42Å; D285-V521 WeakPolarHBondContact O-CG1 3.34Å |
| 286 | L | 97.4 | Very high | 98.1 | Very high | 67 Ų | 67 | 55.2 Ų | 55.2 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | trans | -85.7 | 96.2 | -165.3 | -165.8 | 65.9 | 0 | 0 | 0 | 112.5 | V281 A282 A283 P289 E520 | V281-L286 HydrophobicContact CG1-CD1 4.21Å; A282-L286 PolarHBondContact O-N 3.49Å; A283-L286 PolarHBondContact O-N 2.79Å; L286-P289 HydrophobicContact CD2-CB 4.11Å; L286-P289 HydrophobicContact CD2-CG 3.93Å; L286-P289 HydrophobicContact CG-CB 4.48Å; L286-P289 HydrophobicContact CG-CG 4.09Å; L286-E520 HydrophobicContact CD1-CB 3.8Å; L286-E520 HydrophobicContact CD1-CG 4.11Å | ||
| 287 | Y | 98.3 | Very high | 98.1 | Very high | 70 Ų | 70 | 53.8 Ų | 53.8 | 28% | 0.275 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -84.1 | -46.7 | 170.5 | -173.7 | -96 | 0 | 0 | 0 | 112 | D285 P289 E520 E638 K699 | D285-Y287 PolarHBondContact O-N 3.22Å; Y287-P289 WeakPolarHBondContact O-CD 3.31Å; Y287-E520 PolarHBondContact N-O 2.77Å; Y287-E638 HydrophobicContact CE2-CB 4.11Å; Y287-E638 PolarHBondContact OH-O 3.07Å; Y287-K699 HydrophobicContact CE1-CB 3.9Å; Y287-K699 HydrophobicContact CE1-CG 4.38Å; Y287-K699 WeakPolarHBondContact OH-CB 3.25Å |
| 288 | T | 98.2 | Very high | 98.1 | Very high | 28 Ų | 28 | 53.7 Ų | 53.7 | 17% | 0.172 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -116.7 | 92.6 | -179.2 | -56.2 | 0 | 0 | 0 | 0 | 110 | N517 E520 F522 | T288-N517 HydrophobicContact CG2-CB 4.33Å; T288-E520 PolarHBondContact N-O 2.85Å; T288-E520 WeakPolarHBondContact O-CA 3.22Å; T288-F522 PolarHBondContact OG1-O 3.42Å |
| 289 | P | 97.9 | Very high | 98 | Very high | 83 Ų | 83 | 57.2 Ų | 57.2 | 54% | 0.539 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 142.8 | 168.2 | -21.7 | 32 | 0 | 0 | 0 | 111 | L286 Y287 S291 | L286-P289 HydrophobicContact CD2-CB 4.11Å; L286-P289 HydrophobicContact CD2-CG 3.93Å; L286-P289 HydrophobicContact CG-CB 4.48Å; L286-P289 HydrophobicContact CG-CG 4.09Å; Y287-P289 WeakPolarHBondContact O-CD 3.31Å; P289-S291 PolarHBondContact O-N 3.49Å |
| 290 | H | 98.4 | Very high | 98 | Very high | 37 Ų | 37 | 56.6 Ų | 56.6 | 17% | 0.171 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 130.9 | 173.6 | -71.7 | -173.1 | 0 | 0 | 0 | 109.8 | L294 Y298 E520 | H290-L294 HydrophobicContact CB-CB 4.46Å; H290-L294 HydrophobicContact CB-CD2 4.05Å; H290-L294 HydrophobicContact CB-CG 4.4Å; H290-Y298 AromaticContact CE1-CD2 3.98Å; H290-Y298 AromaticContact CE1-CE2 3.75Å; H290-Y298 AromaticContact ND1-CD2 3.93Å; H290-E520 IonicContact CD2-OE1 3.76Å; H290-E520 IonicContact CE1-OE1 2.85Å; H290-E520 PolarHBondContact CE1-OE1 3.38Å; H290-E520 IonicContact NE2-OE1 3.41Å; H290-E520 PolarHBondContact NE2-OE1 3.09Å |
| 291 | S | 98.4 | Very high | 98 | Very high | 28 Ų | 28 | 56 Ų | 56 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 163.7 | 174.3 | 83.3 | 0 | 0 | 0 | 0 | 110.9 | P289 L293 L294 S295 L515 | P289-S291 PolarHBondContact O-N 3.49Å; S291-L293 PolarHBondContact O-N 3.22Å; S291-L293 PolarHBondContact OG-N 3.46Å; S291-L294 PolarHBondContact O-N 3.4Å; S291-L294 PolarHBondContact OG-N 2.85Å; S291-L294 VanDerWaalsContact OG-N 3.08Å; S291-S295 WeakPolarHBondContact O-CB 3.46Å; S291-S295 PolarHBondContact O-N 2.85Å; S291-S295 PolarHBondContact O-OG 3.26Å; S291-L515 WeakPolarHBondContact CB-O 3.38Å; S291-L515 PolarHBondContact OG-O 3.06Å |
| 292 | T | 98.2 | Very high | 98 | Very high | 118 Ų | 118 | 55.7 Ų | 55.7 | 72% | 0.724 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -56.6 | -37.6 | 171 | -50.2 | 0 | 0 | 0 | 0 | 111.6 | S295 V296 | T292-S295 PolarHBondContact O-N 3.48Å; T292-V296 VanDerWaalsContact O-CG2 3.31Å; T292-V296 WeakPolarHBondContact O-CG2 3.42Å; T292-V296 PolarHBondContact O-N 2.89Å |
| 293 | L | 98.1 | Very high | 98 | Very high | 91 Ų | 91 | 60.4 Ų | 60.4 | 48% | 0.476 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 178.1 | 176.9 | 63.5 | 0 | 0 | 0 | 111.2 | S291 V296 A297 L515 L516 | S291-L293 PolarHBondContact O-N 3.22Å; S291-L293 PolarHBondContact OG-N 3.46Å; L293-V296 PolarHBondContact O-N 3.46Å; L293-A297 WeakPolarHBondContact O-CB 3.47Å; L293-A297 PolarHBondContact O-N 3.17Å; L293-L515 HydrophobicContact CB-CB 4.42Å; L293-L515 HydrophobicContact CD2-CB 3.92Å; L293-L515 HydrophobicContact CD2-CD1 4.16Å; L293-L516 HydrophobicContact CD2-CD2 3.92Å; L293-L516 HydrophobicContact CD2-CG 4.47Å; L293-L516 HydrophobicContact CG-CD2 3.93Å |
| 294 | L | 98.4 | Very high | 98 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.037 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 179 | -178.9 | 59.4 | 0 | 0 | 0 | 111.6 | H290 S291 V296 A297 Y298 L515 L516 N517 P518 | H290-L294 HydrophobicContact CB-CB 4.46Å; H290-L294 HydrophobicContact CB-CD2 4.05Å; H290-L294 HydrophobicContact CB-CG 4.4Å; S291-L294 PolarHBondContact O-N 3.4Å; S291-L294 PolarHBondContact OG-N 2.85Å; S291-L294 VanDerWaalsContact OG-N 3.08Å; L294-V296 VanDerWaalsContact C-N 3.32Å; L294-V296 PolarHBondContact O-N 2.9Å; L294-A297 PolarHBondContact O-N 3.05Å; L294-Y298 HydrophobicContact CD1-CD2 3.7Å; L294-Y298 HydrophobicContact CD1-CE2 3.53Å; L294-Y298 HydrophobicContact CD1-CG 4.35Å; L294-Y298 HydrophobicContact CD2-CD2 4.4Å; L294-Y298 HydrophobicContact CD2-CE2 4Å; L294-Y298 HydrophobicContact CG-CD2 3.74Å; L294-Y298 HydrophobicContact CG-CE2 3.75Å; L294-Y298 PolarHBondContact O-N 3.41Å; L294-L515 WeakPolarHBondContact CB-O 3.32Å; L294-L516 HydrophobicContact CD1-CD2 4.4Å; L294-N517 WeakPolarHBondContact CD2-O 3.4Å; L294-P518 HydrophobicContact CD2-CB 3.96Å |
| 295 | S | 97.9 | Very high | 98.1 | Very high | 45 Ų | 45 | 56.6 Ų | 56.6 | 32% | 0.315 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 176.2 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | S291 T292 Y298 M299 | S291-S295 WeakPolarHBondContact O-CB 3.46Å; S291-S295 PolarHBondContact O-N 2.85Å; S291-S295 PolarHBondContact O-OG 3.26Å; T292-S295 PolarHBondContact O-N 3.48Å; S295-Y298 PolarHBondContact O-N 2.61Å; S295-M299 WeakPolarHBondContact O-CG 3.34Å; S295-M299 PolarHBondContact O-N 3.44Å; S295-M299 VanDerWaalsContact O-N 3.09Å |
| 296 | V | 98.1 | Very high | 98.1 | Very high | 73 Ų | 73 | 59.5 Ų | 59.5 | 44% | 0.442 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 175.2 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | T292 L293 L294 Y298 M299 V300 | T292-V296 VanDerWaalsContact O-CG2 3.31Å; T292-V296 WeakPolarHBondContact O-CG2 3.42Å; T292-V296 PolarHBondContact O-N 2.89Å; L293-V296 PolarHBondContact O-N 3.46Å; L294-V296 VanDerWaalsContact C-N 3.32Å; L294-V296 PolarHBondContact O-N 2.9Å; V296-Y298 VanDerWaalsContact C-N 3.35Å; V296-Y298 PolarHBondContact O-N 3.35Å; V296-M299 HydrophobicContact CB-CE 4.22Å; V296-M299 HydrophobicContact CG2-CE 3.85Å; V296-M299 PolarHBondContact O-N 3.22Å; V296-V300 PolarHBondContact O-N 3.18Å |
| 297 | A | 97.9 | Very high | 98.1 | Very high | 27 Ų | 27 | 63.2 Ų | 63.2 | 22% | 0.223 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.1 | -49.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L293 L294 M299 V300 L301 | L293-A297 WeakPolarHBondContact O-CB 3.47Å; L293-A297 PolarHBondContact O-N 3.17Å; L294-A297 PolarHBondContact O-N 3.05Å; A297-M299 VanDerWaalsContact C-N 3.34Å; A297-M299 PolarHBondContact O-N 3.21Å; A297-V300 PolarHBondContact O-N 2.69Å; A297-V300 VanDerWaalsContact O-N 3.1Å; A297-L301 HydrophobicContact CB-CD1 4.47Å; A297-L301 WeakPolarHBondContact O-CB 3.38Å; A297-L301 WeakPolarHBondContact O-CG 3.35Å; A297-L301 PolarHBondContact O-N 3.04Å |
| 298 | Y | 98.5 | Very high | 98.1 | Very high | 23 Ų | 23 | 62.7 Ų | 62.7 | 9% | 0.09 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.5 | -32.4 | 179.2 | -85.2 | -41 | 0 | 0 | 0 | 114 | N210 T211 H290 L294 S295 V296 V300 L301 N302 P518 | N210-Y298 HydrophobicContact CB-CD1 3.71Å; N210-Y298 HydrophobicContact CB-CD2 4.05Å; N210-Y298 HydrophobicContact CB-CE1 3.63Å; N210-Y298 HydrophobicContact CB-CE2 3.93Å; N210-Y298 HydrophobicContact CB-CG 3.95Å; T211-Y298 WeakPolarHBondContact O-CE1 3.41Å; H290-Y298 AromaticContact CE1-CD2 3.98Å; H290-Y298 AromaticContact CE1-CE2 3.75Å; H290-Y298 AromaticContact ND1-CD2 3.93Å; L294-Y298 HydrophobicContact CD1-CD2 3.7Å; L294-Y298 HydrophobicContact CD1-CE2 3.53Å; L294-Y298 HydrophobicContact CD1-CG 4.35Å; L294-Y298 HydrophobicContact CD2-CD2 4.4Å; L294-Y298 HydrophobicContact CD2-CE2 4Å; L294-Y298 HydrophobicContact CG-CD2 3.74Å; L294-Y298 HydrophobicContact CG-CE2 3.75Å; L294-Y298 PolarHBondContact O-N 3.41Å; S295-Y298 PolarHBondContact O-N 2.61Å; V296-Y298 VanDerWaalsContact C-N 3.35Å; V296-Y298 PolarHBondContact O-N 3.35Å; Y298-V300 VanDerWaalsContact C-N 3.32Å; Y298-V300 PolarHBondContact O-N 3.02Å; Y298-L301 HydrophobicContact CD1-CD1 4.41Å; Y298-L301 PolarHBondContact O-N 2.93Å; Y298-N302 WeakPolarHBondContact O-CB 3.4Å; Y298-N302 PolarHBondContact O-N 2.88Å; Y298-N302 PolarHBondContact O-ND2 3.31Å; Y298-P518 HydrophobicContact CE2-CB 4Å; Y298-P518 WeakPolarHBondContact OH-CB 3.39Å |
| 299 | M | 97.2 | Very high | 98.1 | Very high | 126 Ų | 126 | 63.6 Ų | 63.6 | 62% | 0.621 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.6 | -46.2 | 171.1 | -72.8 | -170.7 | -68.5 | 0 | 0 | 111.5 | S295 V296 A297 L303 | S295-M299 WeakPolarHBondContact O-CG 3.34Å; S295-M299 PolarHBondContact O-N 3.44Å; S295-M299 VanDerWaalsContact O-N 3.09Å; V296-M299 HydrophobicContact CB-CE 4.22Å; V296-M299 HydrophobicContact CG2-CE 3.85Å; V296-M299 PolarHBondContact O-N 3.22Å; A297-M299 VanDerWaalsContact C-N 3.34Å; A297-M299 PolarHBondContact O-N 3.21Å; M299-L303 PolarHBondContact O-N 3.48Å |
| 300 | V | 98.3 | Very high | 98.1 | Very high | 94 Ų | 94 | 63.7 Ų | 63.7 | 57% | 0.57 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -69.9 | -45.5 | 179.1 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | V296 A297 Y298 L303 Y304 | V296-V300 PolarHBondContact O-N 3.18Å; A297-V300 PolarHBondContact O-N 2.69Å; A297-V300 VanDerWaalsContact O-N 3.1Å; Y298-V300 VanDerWaalsContact C-N 3.32Å; Y298-V300 PolarHBondContact O-N 3.02Å; V300-L303 WeakPolarHBondContact O-CB 3.48Å; V300-L303 PolarHBondContact O-N 2.94Å; V300-Y304 PolarHBondContact O-N 2.8Å |
| 301 | L | 98.2 | Very high | 98.1 | Very high | 46 Ų | 46 | 65 Ų | 65 | 24% | 0.241 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.1 | -38.1 | -176.8 | -65.3 | 177.1 | 0 | 0 | 0 | 112.1 | T211 L213 A297 Y298 L303 Y304 E305 | T211-L301 HydrophobicContact CG2-CB 3.66Å; L213-L301 HydrophobicContact CD1-CD2 3.94Å; L213-L301 HydrophobicContact CD2-CD1 3.93Å; L213-L301 HydrophobicContact CD2-CD2 3.53Å; L213-L301 HydrophobicContact CD2-CG 4.31Å; L213-L301 HydrophobicContact CG-CD2 4.3Å; A297-L301 HydrophobicContact CB-CD1 4.47Å; A297-L301 WeakPolarHBondContact O-CB 3.38Å; A297-L301 WeakPolarHBondContact O-CG 3.35Å; A297-L301 PolarHBondContact O-N 3.04Å; Y298-L301 HydrophobicContact CD1-CD1 4.41Å; Y298-L301 PolarHBondContact O-N 2.93Å; L301-L303 VanDerWaalsContact C-N 3.32Å; L301-Y304 WeakPolarHBondContact O-CB 3.32Å; L301-Y304 PolarHBondContact O-N 3.05Å; L301-E305 PolarHBondContact O-N 3.16Å |
| 302 | N | 98.5 | Very high | 98.1 | Very high | 19 Ų | 19 | 67.3 Ų | 67.3 | 10% | 0.102 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.4 | -30.3 | 174 | -72.1 | -42.2 | 0 | 0 | 0 | 112.2 | N210 T211 Y298 E305 A306 | N210-N302 PolarHBondContact OD1-ND2 2.74Å; T211-N302 PolarHBondContact N-OD1 2.85Å; Y298-N302 WeakPolarHBondContact O-CB 3.4Å; Y298-N302 PolarHBondContact O-N 2.88Å; Y298-N302 PolarHBondContact O-ND2 3.31Å; N302-E305 PolarHBondContact O-N 3.44Å; N302-A306 PolarHBondContact O-N 3.32Å; N302-A306 VanDerWaalsContact O-N 3.15Å |
| 303 | L | 98.1 | Very high | 98.2 | Very high | 113 Ų | 113 | 62.4 Ų | 62.4 | 59% | 0.592 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -68.3 | -41.1 | 171.4 | 179.1 | 64.1 | 0 | 0 | 0 | 111.2 | M299 V300 L301 A306 H307 | M299-L303 PolarHBondContact O-N 3.48Å; V300-L303 WeakPolarHBondContact O-CB 3.48Å; V300-L303 PolarHBondContact O-N 2.94Å; L301-L303 VanDerWaalsContact C-N 3.32Å; L303-A306 PolarHBondContact O-N 3.14Å; L303-H307 PolarHBondContact O-ND1 2.87Å |
| 304 | Y | 98.4 | Very high | 98.2 | Very high | 70 Ų | 70 | 64.3 Ų | 64.3 | 28% | 0.275 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 171.1 | 169.9 | -94.4 | 0 | 0 | 0 | 111 | L213 E215 V300 L301 A306 H307 H308 | L213-Y304 HydrophobicContact CD1-CD1 3.99Å; L213-Y304 HydrophobicContact CD1-CE1 4.14Å; E215-Y304 HydrophobicContact CG-CE1 4.46Å; E215-Y304 PolarHBondContact OE1-OH 2.9Å; V300-Y304 PolarHBondContact O-N 2.8Å; L301-Y304 WeakPolarHBondContact O-CB 3.32Å; L301-Y304 PolarHBondContact O-N 3.05Å; Y304-A306 VanDerWaalsContact C-N 3.28Å; Y304-A306 PolarHBondContact O-N 3.36Å; Y304-H307 CarbonylContact O-C 3.55Å; Y304-H307 WeakPolarHBondContact O-CA 3.37Å; Y304-H307 PolarHBondContact O-N 2.81Å; Y304-H308 HydrophobicContact CD1-CB 4.34Å; Y304-H308 HydrophobicContact CE1-CB 3.78Å; Y304-H308 WeakPolarHBondContact O-CA 3.43Å; Y304-H308 PolarHBondContact O-N 3.08Å |
| 305 | E | 98.4 | Very high | 98.2 | Very high | 10 Ų | 10 | 68.7 Ų | 68.7 | 5% | 0.047 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -54.6 | -44.2 | 177.8 | -179.9 | 66.9 | -160.8 | 0 | 0 | 111.7 | T211 Y245 R248 L301 N302 H307 H308 R313 | T211-E305 HydrophobicContact CG2-CB 4.36Å; T211-E305 PolarHBondContact OG1-OE2 3.41Å; Y245-E305 HydrophobicContact CE1-CG 4.47Å; Y245-E305 WeakPolarHBondContact CE1-OE1 3.48Å; Y245-E305 VanDerWaalsContact OH-CD 3.24Å; Y245-E305 VanDerWaalsContact OH-CG 3.27Å; Y245-E305 WeakPolarHBondContact OH-CG 3.36Å; Y245-E305 PolarHBondContact OH-OE1 3.43Å; R248-E305 IonicContact CZ-OE1 3.09Å; R248-E305 IonicContact NH1-OE1 2.79Å; R248-E305 PolarHBondContact NH1-OE1 3.39Å; R248-E305 VanDerWaalsContact NH1-OE1 3.07Å; R248-E305 IonicContact NH2-OE1 3.49Å; R248-E305 PolarHBondContact NH2-OE1 2.86Å; L301-E305 PolarHBondContact O-N 3.16Å; N302-E305 PolarHBondContact O-N 3.44Å; E305-H307 PolarHBondContact O-N 2.92Å; E305-H307 VanDerWaalsContact O-N 3.13Å; E305-H308 PolarHBondContact O-CD2 2.77Å; E305-H308 VanDerWaalsContact O-CD2 3.28Å; E305-H308 PolarHBondContact O-N 3.31Å; E305-R313 IonicContact OE2-NH1 3.76Å |
| 306 | A | 97.3 | Very high | 98.3 | Very high | 74 Ų | 74 | 66.6 Ų | 66.6 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.9 | -18.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N302 L303 Y304 | N302-A306 PolarHBondContact O-N 3.32Å; N302-A306 VanDerWaalsContact O-N 3.15Å; L303-A306 PolarHBondContact O-N 3.14Å; Y304-A306 VanDerWaalsContact C-N 3.28Å; Y304-A306 PolarHBondContact O-N 3.36Å |
| 307 | H | 97.9 | Very high | 98.3 | Very high | 146 Ų | 146 | 64.3 Ų | 64.3 | 68% | 0.676 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.3 | 26.5 | -177.1 | -55.1 | 88.6 | 0 | 0 | 0 | 112.3 | L303 Y304 E305 | L303-H307 PolarHBondContact O-ND1 2.87Å; Y304-H307 CarbonylContact O-C 3.55Å; Y304-H307 WeakPolarHBondContact O-CA 3.37Å; Y304-H307 PolarHBondContact O-N 2.81Å; E305-H307 PolarHBondContact O-N 2.92Å; E305-H307 VanDerWaalsContact O-N 3.13Å |
| 308 | H | 98.3 | Very high | 98.3 | Very high | 59 Ų | 59 | 71.7 Ų | 71.7 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | trans | -64.8 | 150.3 | -166.7 | 77.5 | 89.5 | 0 | 0 | 0 | 111.4 | Y304 E305 T310 | Y304-H308 HydrophobicContact CD1-CB 4.34Å; Y304-H308 HydrophobicContact CE1-CB 3.78Å; Y304-H308 WeakPolarHBondContact O-CA 3.43Å; Y304-H308 PolarHBondContact O-N 3.08Å; E305-H308 PolarHBondContact O-CD2 2.77Å; E305-H308 VanDerWaalsContact O-CD2 3.28Å; E305-H308 PolarHBondContact O-N 3.31Å; H308-T310 PolarHBondContact O-N 2.85Å | ||
| 309 | S | 98.4 | Very high | 98.4 | Very high | 47 Ų | 47 | 73.2 Ų | 73.2 | 33% | 0.329 | 38% | 0.381 | S | S | . | . | trans | -72.7 | 119.3 | 173.4 | 172.8 | 0 | 0 | 0 | 0 | 110.1 | A311 L312 R313 | S309-A311 PolarHBondContact O-N 2.98Å; S309-A311 PolarHBondContact OG-N 3.4Å; S309-L312 PolarHBondContact O-N 3.31Å; S309-L312 PolarHBondContact OG-N 3.45Å; S309-R313 WeakPolarHBondContact O-CB 3.23Å; S309-R313 PolarHBondContact O-N 2.95Å | ||
| 310 | T | 98 | Very high | 98.4 | Very high | 85 Ų | 85 | 67.2 Ų | 67.2 | 52% | 0.521 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.5 | -31.5 | 175.9 | -45 | 0 | 0 | 0 | 0 | 112.1 | H308 K314 | H308-T310 PolarHBondContact O-N 2.85Å; T310-K314 WeakPolarHBondContact O-CG 3.27Å; T310-K314 PolarHBondContact O-N 2.66Å |
| 311 | A | 98.4 | Very high | 98.5 | Very high | 65 Ų | 65 | 64.4 Ų | 64.4 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.9 | -47.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S309 K314 M315 | S309-A311 PolarHBondContact O-N 2.98Å; S309-A311 PolarHBondContact OG-N 3.4Å; A311-K314 PolarHBondContact O-N 3.13Å; A311-M315 WeakPolarHBondContact O-CG 3.28Å; A311-M315 PolarHBondContact O-N 3.43Å; A311-M315 VanDerWaalsContact O-N 3.14Å |
| 312 | L | 98.6 | Very high | 98.5 | Very high | 76 Ų | 76 | 64 Ų | 64 | 40% | 0.398 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 175.8 | -65.7 | 179.2 | 0 | 0 | 0 | 111.4 | E215 S309 K314 M315 A316 | E215-L312 HydrophobicContact CG-CB 4.03Å; S309-L312 PolarHBondContact O-N 3.31Å; S309-L312 PolarHBondContact OG-N 3.45Å; L312-K314 VanDerWaalsContact C-N 3.32Å; L312-K314 PolarHBondContact O-N 3.48Å; L312-M315 HydrophobicContact CD2-SD 4.39Å; L312-M315 WeakPolarHBondContact O-CB 3.3Å; L312-M315 PolarHBondContact O-N 3.32Å; L312-M315 VanDerWaalsContact O-N 3.14Å; L312-A316 WeakPolarHBondContact O-CB 3.43Å; L312-A316 PolarHBondContact O-N 2.9Å |
| 313 | R | 98.8 | Very high | 98.5 | Very high | 14 Ų | 14 | 63.3 Ų | 63.3 | 5% | 0.053 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.4 | -46.3 | 174.4 | 179.2 | 85.8 | -62 | 131.1 | 17.4 | 111.7 | P214 E215 E305 S309 M315 A316 V317 | P214-R313 VanDerWaalsContact CA-NH2 3.35Å; P214-R313 VanDerWaalsContact CD-NH1 3.29Å; E215-R313 IonicContact OE1-CZ 3.85Å; E215-R313 IonicContact OE1-NE 3.49Å; E215-R313 IonicContact OE1-NH1 3.24Å; E215-R313 PolarHBondContact OE1-NH1 3.18Å; E215-R313 VanDerWaalsContact OE1-NH1 3.07Å; E215-R313 IonicContact OE1-NH2 3Å; E215-R313 PolarHBondContact OE1-NH2 3.28Å; E215-R313 VanDerWaalsContact OE1-NH2 3.12Å; E215-R313 IonicContact OE2-CZ 3.98Å; E215-R313 IonicContact OE2-NH1 2.67Å; E215-R313 PolarHBondContact OE2-NH1 2.91Å; E215-R313 IonicContact OE2-NH2 3.27Å; E215-R313 PolarHBondContact OE2-NH2 3.17Å; E305-R313 IonicContact OE2-NH1 3.76Å; S309-R313 WeakPolarHBondContact O-CB 3.23Å; S309-R313 PolarHBondContact O-N 2.95Å; R313-M315 PolarHBondContact O-N 2.84Å; R313-A316 PolarHBondContact O-N 3.43Å; R313-V317 VanDerWaalsContact O-CG2 3.27Å; R313-V317 WeakPolarHBondContact O-CG2 3.46Å; R313-V317 PolarHBondContact O-N 2.89Å |
| 314 | K | 98.7 | Very high | 98.6 | Very high | 131 Ų | 131 | 58 Ų | 58 | 57% | 0.57 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.9 | -38.4 | 177.6 | -76.3 | 175.5 | -180 | 178.8 | 0 | 112.6 | T310 A311 L312 R318 | T310-K314 WeakPolarHBondContact O-CG 3.27Å; T310-K314 PolarHBondContact O-N 2.66Å; A311-K314 PolarHBondContact O-N 3.13Å; L312-K314 VanDerWaalsContact C-N 3.32Å; L312-K314 PolarHBondContact O-N 3.48Å; K314-R318 WeakPolarHBondContact O-CG 3.29Å; K314-R318 PolarHBondContact O-N 2.98Å |
| 315 | M | 98.8 | Very high | 98.6 | Very high | 100 Ų | 100 | 56.9 Ų | 56.9 | 49% | 0.493 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 174.6 | -69.5 | 173.6 | 62.9 | 0 | 0 | 111 | L218 A311 L312 R313 V317 R318 E319 | L218-M315 HydrophobicContact CD1-CB 3.73Å; L218-M315 HydrophobicContact CD2-CB 4.27Å; A311-M315 WeakPolarHBondContact O-CG 3.28Å; A311-M315 PolarHBondContact O-N 3.43Å; A311-M315 VanDerWaalsContact O-N 3.14Å; L312-M315 HydrophobicContact CD2-SD 4.39Å; L312-M315 WeakPolarHBondContact O-CB 3.3Å; L312-M315 PolarHBondContact O-N 3.32Å; L312-M315 VanDerWaalsContact O-N 3.14Å; R313-M315 PolarHBondContact O-N 2.84Å; M315-V317 PolarHBondContact O-N 3.23Å; M315-R318 PolarHBondContact O-N 2.88Å; M315-E319 PolarHBondContact O-N 3.35Å |
| 316 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P214 E215 L218 L312 R313 R318 E319 L320 | P214-A316 HydrophobicContact CB-CB 4.46Å; P214-A316 WeakPolarHBondContact O-CB 3.42Å; E215-A316 HydrophobicContact CG-CB 4.47Å; L218-A316 HydrophobicContact CD1-CB 3.94Å; L218-A316 HydrophobicContact CG-CB 4.08Å; L312-A316 WeakPolarHBondContact O-CB 3.43Å; L312-A316 PolarHBondContact O-N 2.9Å; R313-A316 PolarHBondContact O-N 3.43Å; A316-R318 VanDerWaalsContact C-N 3.26Å; A316-R318 PolarHBondContact O-N 3.25Å; A316-E319 WeakPolarHBondContact O-CB 3.38Å; A316-E319 PolarHBondContact O-N 2.99Å; A316-E319 VanDerWaalsContact O-N 3.12Å; A316-L320 WeakPolarHBondContact O-CB 3.31Å; A316-L320 WeakPolarHBondContact O-CD1 3.47Å; A316-L320 WeakPolarHBondContact O-CG 3.31Å; A316-L320 PolarHBondContact O-N 2.95Å |
| 317 | V | 98.9 | Very high | 98.7 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 16% | 0.158 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.2 | -38.4 | 177.1 | 168.8 | 0 | 0 | 0 | 0 | 112.2 | Y243 A246 V247 R313 M315 Y321 | Y243-V317 HydrophobicContact CD2-CG1 4.27Å; Y243-V317 HydrophobicContact CE2-CG1 3.57Å; A246-V317 HydrophobicContact CB-CG2 3.56Å; V247-V317 HydrophobicContact CG1-CG1 4.35Å; V247-V317 HydrophobicContact CG1-CG2 4.38Å; R313-V317 VanDerWaalsContact O-CG2 3.27Å; R313-V317 WeakPolarHBondContact O-CG2 3.46Å; R313-V317 PolarHBondContact O-N 2.89Å; M315-V317 PolarHBondContact O-N 3.23Å; V317-Y321 WeakPolarHBondContact O-CB 3.41Å; V317-Y321 PolarHBondContact O-N 3.07Å |
| 318 | R | 98.9 | Very high | 98.7 | Very high | 181 Ų | 181 | 46.2 Ų | 46.2 | 68% | 0.683 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -68 | -44.3 | 175.5 | -69.3 | 173.6 | -172.5 | 168.4 | 0.8 | 112 | K314 M315 A316 Y321 D322 | K314-R318 WeakPolarHBondContact O-CG 3.29Å; K314-R318 PolarHBondContact O-N 2.98Å; M315-R318 PolarHBondContact O-N 2.88Å; A316-R318 VanDerWaalsContact C-N 3.26Å; A316-R318 PolarHBondContact O-N 3.25Å; R318-Y321 PolarHBondContact O-N 3.47Å; R318-D322 PolarHBondContact O-N 3.25Å |
| 319 | E | 98.8 | Very high | 98.8 | Very high | 56 Ų | 56 | 49.6 Ų | 49.6 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.2 | -47.9 | 177.6 | -170.1 | 66.3 | -164.4 | 0 | 0 | 111.3 | W217 L218 M315 A316 Y321 D322 H323 | W217-E319 HydrophobicContact CB-CG 4.41Å; L218-E319 HydrophobicContact CD2-CB 4.02Å; L218-E319 HydrophobicContact CD2-CG 4.36Å; M315-E319 PolarHBondContact O-N 3.35Å; A316-E319 WeakPolarHBondContact O-CB 3.38Å; A316-E319 PolarHBondContact O-N 2.99Å; A316-E319 VanDerWaalsContact O-N 3.12Å; E319-Y321 VanDerWaalsContact C-N 3.32Å; E319-Y321 PolarHBondContact O-N 3.05Å; E319-D322 PolarHBondContact O-N 3.47Å; E319-H323 PolarHBondContact O-CD2 3.2Å; E319-H323 PolarHBondContact O-N 2.82Å; E319-H323 IonicContact OE1-CD2 3.29Å; E319-H323 IonicContact OE1-NE2 3.09Å; E319-H323 PolarHBondContact OE1-NE2 3.23Å |
| 320 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.2 | -46.6 | 177.3 | -64.1 | 162.3 | 0 | 0 | 0 | 110.7 | P214 W217 L239 Y243 A316 H323 I324 | P214-L320 HydrophobicContact CB-CD1 3.5Å; P214-L320 VanDerWaalsContact CB-CD1 3.5Å; W217-L320 HydrophobicContact CB-CD2 4.16Å; W217-L320 HydrophobicContact CD2-CD2 3.75Å; W217-L320 HydrophobicContact CG-CD2 3.47Å; W217-L320 VanDerWaalsContact CG-CD2 3.47Å; W217-L320 HydrophobicContact CG-CG 4.45Å; L239-L320 HydrophobicContact CD1-CB 4.03Å; L239-L320 HydrophobicContact CD1-CD2 3.53Å; L239-L320 HydrophobicContact CD1-CG 4.36Å; Y243-L320 HydrophobicContact CD2-CB 4.09Å; A316-L320 WeakPolarHBondContact O-CB 3.31Å; A316-L320 WeakPolarHBondContact O-CD1 3.47Å; A316-L320 WeakPolarHBondContact O-CG 3.31Å; A316-L320 PolarHBondContact O-N 2.95Å; L320-H323 PolarHBondContact O-N 3.46Å; L320-I324 VanDerWaalsContact O-CG1 3.26Å; L320-I324 WeakPolarHBondContact O-CG1 3.12Å; L320-I324 PolarHBondContact O-N 2.97Å |
| 321 | Y | 98.9 | Very high | 98.8 | Very high | 35 Ų | 35 | 44.6 Ų | 44.6 | 14% | 0.137 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.8 | -43.2 | -179.9 | -172.5 | -120.3 | 0 | 0 | 0 | 112.2 | Y243 V317 R318 E319 H323 I324 Q325 V347 R348 V351 D352 | Y243-Y321 HydrophobicContact CE2-CD2 4.25Å; Y243-Y321 HydrophobicContact CE2-CG 4.34Å; V317-Y321 WeakPolarHBondContact O-CB 3.41Å; V317-Y321 PolarHBondContact O-N 3.07Å; R318-Y321 PolarHBondContact O-N 3.47Å; E319-Y321 VanDerWaalsContact C-N 3.32Å; E319-Y321 PolarHBondContact O-N 3.05Å; Y321-H323 VanDerWaalsContact C-N 3.32Å; Y321-H323 PolarHBondContact O-N 2.88Å; Y321-I324 PolarHBondContact O-N 3.43Å; Y321-Q325 HydrophobicContact CD1-CG 4.31Å; Y321-Q325 HydrophobicContact CD2-CG 4.46Å; Y321-Q325 VanDerWaalsContact CE1-CD 3.43Å; Y321-Q325 HydrophobicContact CE1-CG 3.95Å; Y321-Q325 VanDerWaalsContact CE1-NE2 3.26Å; Y321-Q325 HydrophobicContact CE2-CG 4.07Å; Y321-Q325 VanDerWaalsContact O-CG 3.29Å; Y321-Q325 WeakPolarHBondContact O-CG 3.35Å; Y321-Q325 PolarHBondContact O-N 3.12Å; Y321-Q325 PolarHBondContact OH-NE2 3.48Å; Y321-Q325 VanDerWaalsContact OH-NE2 3.11Å; Y321-V347 HydrophobicContact CD2-CG1 3.92Å; Y321-V347 HydrophobicContact CE2-CG1 4.19Å; Y321-R348 PolarHBondContact OH-NE 3Å; Y321-R348 PolarHBondContact OH-NH2 3.18Å; Y321-V351 HydrophobicContact CD1-CG1 4.48Å; Y321-V351 HydrophobicContact CD2-CB 4.48Å; Y321-V351 HydrophobicContact CD2-CG1 4.43Å; Y321-V351 HydrophobicContact CD2-CG2 4.13Å; Y321-V351 HydrophobicContact CE1-CG1 3.83Å; Y321-V351 HydrophobicContact CE2-CB 3.8Å; Y321-V351 HydrophobicContact CE2-CG1 3.8Å; Y321-V351 HydrophobicContact CE2-CG2 3.92Å; Y321-V351 VanDerWaalsContact CZ-CG1 3.48Å; Y321-D352 PolarHBondContact OH-OD1 3.47Å; Y321-D352 PolarHBondContact OH-OD2 3.19Å |
| 322 | D | 98.9 | Very high | 98.8 | Very high | 37 Ų | 37 | 45.9 Ų | 45.9 | 20% | 0.198 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 176 | -175 | 44.3 | 0 | 0 | 0 | 111.9 | R318 E319 Q325 A326 K433 | R318-D322 PolarHBondContact O-N 3.25Å; E319-D322 PolarHBondContact O-N 3.47Å; D322-Q325 PolarHBondContact O-N 3.35Å; D322-A326 PolarHBondContact O-N 2.73Å; D322-K433 IonicContact OD1-NZ 2.78Å; D322-K433 WeakPolarHBondContact OD2-CE 3.27Å; D322-K433 IonicContact OD2-NZ 3.05Å; D322-K433 PolarHBondContact OD2-NZ 2.74Å |
| 323 | H | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 2% | 0.023 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -39.1 | 174.5 | -86.4 | -105 | 0 | 0 | 0 | 113.4 | W217 L239 E319 L320 Y321 A326 D327 Y434 Y435 | W217-H323 HydrophobicContact CZ3-CB 4.4Å; W217-H323 AromaticContact CZ3-ND1 3.68Å; L239-H323 HydrophobicContact CD1-CB 3.9Å; L239-H323 HydrophobicContact CD2-CB 3.85Å; E319-H323 PolarHBondContact O-CD2 3.2Å; E319-H323 PolarHBondContact O-N 2.82Å; E319-H323 IonicContact OE1-CD2 3.29Å; E319-H323 IonicContact OE1-NE2 3.09Å; E319-H323 PolarHBondContact OE1-NE2 3.23Å; L320-H323 PolarHBondContact O-N 3.46Å; Y321-H323 VanDerWaalsContact C-N 3.32Å; Y321-H323 PolarHBondContact O-N 2.88Å; H323-A326 PolarHBondContact O-N 3.1Å; H323-D327 PolarHBondContact O-N 3.42Å; H323-D327 VanDerWaalsContact O-N 3.12Å; H323-Y434 AromaticContact CE1-CD1 3.96Å; H323-Y434 AromaticContact ND1-CD1 3.94Å; H323-Y435 AromaticContact CE1-CD2 3.85Å; H323-Y435 AromaticContact CE1-CE2 3.34Å; H323-Y435 WeakPolarHBondContact CE1-CE2 3.2Å; H323-Y435 AromaticContact CE1-CZ 3.57Å |
| 324 | I | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 173.9 | -69.6 | 164.4 | 0 | 0 | 0 | 110 | L239 P240 Y243 L320 Y321 A326 D327 D328 N344 V347 | L239-I324 HydrophobicContact CD1-CG1 4.28Å; L239-I324 HydrophobicContact CD2-CG1 3.82Å; L239-I324 HydrophobicContact CG-CD1 4.36Å; L239-I324 HydrophobicContact CG-CG1 3.75Å; P240-I324 HydrophobicContact CB-CD1 3.93Å; P240-I324 HydrophobicContact CB-CG1 4.34Å; Y243-I324 HydrophobicContact CD2-CD1 4.34Å; Y243-I324 HydrophobicContact CG-CD1 4.27Å; L320-I324 VanDerWaalsContact O-CG1 3.26Å; L320-I324 WeakPolarHBondContact O-CG1 3.12Å; L320-I324 PolarHBondContact O-N 2.97Å; Y321-I324 PolarHBondContact O-N 3.43Å; I324-A326 VanDerWaalsContact C-N 3.25Å; I324-A326 PolarHBondContact O-N 3.45Å; I324-D327 PolarHBondContact O-N 3.48Å; I324-D328 PolarHBondContact O-N 2.98Å; I324-N344 HydrophobicContact CG2-CB 4.08Å; I324-V347 HydrophobicContact CD1-CB 4.34Å; I324-V347 HydrophobicContact CD1-CG1 3.92Å; I324-V347 HydrophobicContact CD1-CG2 4.19Å; I324-V347 HydrophobicContact CG2-CG1 4.44Å |
| 325 | Q | 98.9 | Very high | 98.9 | Very high | 48 Ų | 48 | 35.3 Ų | 35.3 | 22% | 0.224 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.8 | -36.2 | 176.5 | -68.9 | -172.3 | -46.4 | 0 | 0 | 112 | Y321 D322 R329 | Y321-Q325 HydrophobicContact CD1-CG 4.31Å; Y321-Q325 HydrophobicContact CD2-CG 4.46Å; Y321-Q325 VanDerWaalsContact CE1-CD 3.43Å; Y321-Q325 HydrophobicContact CE1-CG 3.95Å; Y321-Q325 VanDerWaalsContact CE1-NE2 3.26Å; Y321-Q325 HydrophobicContact CE2-CG 4.07Å; Y321-Q325 VanDerWaalsContact O-CG 3.29Å; Y321-Q325 WeakPolarHBondContact O-CG 3.35Å; Y321-Q325 PolarHBondContact O-N 3.12Å; Y321-Q325 PolarHBondContact OH-NE2 3.48Å; Y321-Q325 VanDerWaalsContact OH-NE2 3.11Å; D322-Q325 PolarHBondContact O-N 3.35Å; Q325-R329 VanDerWaalsContact O-CG 3.3Å; Q325-R329 WeakPolarHBondContact O-CG 3.42Å; Q325-R329 PolarHBondContact O-N 3.05Å; Q325-R329 VanDerWaalsContact O-N 3.09Å; Q325-R329 PolarHBondContact O-NH1 3.39Å |
| 326 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.5 | -47.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D322 H323 I324 D328 R329 F330 Y434 | D322-A326 PolarHBondContact O-N 2.73Å; H323-A326 PolarHBondContact O-N 3.1Å; I324-A326 VanDerWaalsContact C-N 3.25Å; I324-A326 PolarHBondContact O-N 3.45Å; A326-D328 VanDerWaalsContact C-N 3.34Å; A326-D328 PolarHBondContact O-N 2.8Å; A326-R329 PolarHBondContact O-N 2.83Å; A326-F330 HydrophobicContact CB-CE2 3.99Å; A326-F330 HydrophobicContact CB-CZ 4.15Å; A326-F330 WeakPolarHBondContact O-CB 3.39Å; A326-F330 WeakPolarHBondContact O-CD1 3.44Å; A326-F330 VanDerWaalsContact O-CD2 3.29Å; A326-F330 WeakPolarHBondContact O-CD2 3.47Å; A326-F330 WeakPolarHBondContact O-CG 3.28Å; A326-F330 PolarHBondContact O-N 3.11Å; A326-Y434 HydrophobicContact CB-CD1 3.34Å; A326-Y434 HydrophobicContact CB-CD2 3.64Å; A326-Y434 HydrophobicContact CB-CE1 3.51Å; A326-Y434 HydrophobicContact CB-CE2 3.8Å; A326-Y434 HydrophobicContact CB-CG 3.38Å |
| 327 | D | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 177.2 | -173.4 | 59.3 | 0 | 0 | 0 | 111.6 | H323 I324 R329 F330 T331 S335 N344 W452 | H323-D327 PolarHBondContact O-N 3.42Å; H323-D327 VanDerWaalsContact O-N 3.12Å; I324-D327 PolarHBondContact O-N 3.48Å; D327-R329 VanDerWaalsContact C-N 3.34Å; D327-R329 PolarHBondContact O-N 2.72Å; D327-F330 PolarHBondContact O-N 3.21Å; D327-T331 WeakPolarHBondContact O-CB 3.36Å; D327-T331 VanDerWaalsContact O-CG2 3.32Å; D327-T331 WeakPolarHBondContact O-CG2 3.35Å; D327-T331 PolarHBondContact O-N 3.42Å; D327-T331 PolarHBondContact O-OG1 3.43Å; D327-S335 VanDerWaalsContact OD2-CA 3.32Å; D327-S335 WeakPolarHBondContact OD2-CA 3.42Å; D327-S335 WeakPolarHBondContact OD2-CB 3.43Å; D327-S335 PolarHBondContact OD2-OG 3.16Å; D327-N344 PolarHBondContact OD2-ND2 2.51Å; D327-W452 PolarHBondContact OD1-NE1 3.32Å; D327-W452 VanDerWaalsContact OD1-NE1 3.13Å |
| 328 | D | 98.9 | Very high | 98.9 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.011 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.6 | -44.3 | 176.4 | -70.8 | -12.1 | 0 | 0 | 0 | 112.1 | I324 A326 K332 C333 N344 R348 H362 | I324-D328 PolarHBondContact O-N 2.98Å; A326-D328 VanDerWaalsContact C-N 3.34Å; A326-D328 PolarHBondContact O-N 2.8Å; D328-K332 WeakPolarHBondContact O-CA 3.43Å; D328-K332 PolarHBondContact O-N 3.11Å; D328-C333 PolarHBondContact O-N 3.19Å; D328-N344 PolarHBondContact OD1-ND2 2.87Å; D328-N344 VanDerWaalsContact OD1-ND2 3.11Å; D328-R348 WeakPolarHBondContact OD2-CD 3.33Å; D328-R348 WeakPolarHBondContact OD2-CG 3.33Å; D328-R348 IonicContact OD2-CZ 2.76Å; D328-R348 IonicContact OD2-NE 3.22Å; D328-R348 IonicContact OD2-NH1 3.62Å; D328-R348 PolarHBondContact OD2-NH1 2.91Å; D328-H362 IonicContact OD1-CE1 2.73Å; D328-H362 PolarHBondContact OD1-CE1 3.5Å; D328-H362 VanDerWaalsContact OD1-CE1 3.3Å; D328-H362 IonicContact OD1-NE2 3.74Å; D328-H362 PolarHBondContact OD1-NE2 3.09Å; D328-H362 IonicContact OD2-CD2 3.99Å; D328-H362 IonicContact OD2-NE2 3.85Å; D328-H362 PolarHBondContact OD2-NE2 3.27Å |
| 329 | R | 98.8 | Very high | 98.9 | Very high | 129 Ų | 129 | 22.3 Ų | 22.3 | 49% | 0.487 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 176.3 | -73.2 | -173.8 | -54.7 | -98.7 | 4.3 | 112.3 | Q325 A326 D327 T331 | Q325-R329 VanDerWaalsContact O-CG 3.3Å; Q325-R329 WeakPolarHBondContact O-CG 3.42Å; Q325-R329 PolarHBondContact O-N 3.05Å; Q325-R329 VanDerWaalsContact O-N 3.09Å; Q325-R329 PolarHBondContact O-NH1 3.39Å; A326-R329 PolarHBondContact O-N 2.83Å; D327-R329 VanDerWaalsContact C-N 3.34Å; D327-R329 PolarHBondContact O-N 2.72Å; R329-T331 VanDerWaalsContact C-N 3.27Å; R329-T331 PolarHBondContact O-N 2.87Å |
| 330 | F | 98.8 | Very high | 98.9 | Very high | 27 Ų | 27 | 19.7 Ų | 19.7 | 12% | 0.118 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -74.6 | -20.2 | -174.5 | -61.2 | -16.3 | 0 | 0 | 0 | 113.4 | A326 D327 P428 P429 Y434 R436 | A326-F330 HydrophobicContact CB-CE2 3.99Å; A326-F330 HydrophobicContact CB-CZ 4.15Å; A326-F330 WeakPolarHBondContact O-CB 3.39Å; A326-F330 WeakPolarHBondContact O-CD1 3.44Å; A326-F330 VanDerWaalsContact O-CD2 3.29Å; A326-F330 WeakPolarHBondContact O-CD2 3.47Å; A326-F330 WeakPolarHBondContact O-CG 3.28Å; A326-F330 PolarHBondContact O-N 3.11Å; D327-F330 PolarHBondContact O-N 3.21Å; F330-P428 HydrophobicContact CB-CB 4.4Å; F330-P428 HydrophobicContact CB-CG 4.36Å; F330-P428 HydrophobicContact CD1-CB 3.44Å; F330-P428 VanDerWaalsContact CD1-CB 3.44Å; F330-P428 HydrophobicContact CD1-CG 4.3Å; F330-P428 HydrophobicContact CD2-CB 4.1Å; F330-P428 HydrophobicContact CD2-CG 4.43Å; F330-P428 HydrophobicContact CE1-CB 3.56Å; F330-P428 HydrophobicContact CE2-CB 4.2Å; F330-P428 HydrophobicContact CG-CB 3.72Å; F330-P428 HydrophobicContact CG-CG 4.12Å; F330-P428 HydrophobicContact CZ-CB 3.94Å; F330-P429 HydrophobicContact CE1-CG 4.3Å; F330-P429 WeakPolarHBondContact CE1-O 3.32Å; F330-P429 VanDerWaalsContact CZ-O 3.27Å; F330-P429 WeakPolarHBondContact CZ-O 3.42Å; F330-Y434 AromaticContact CE2-CD2 3.74Å; F330-Y434 HydrophobicContact CE2-CD2 3.74Å; F330-Y434 HydrophobicContact CE2-CG 4.19Å; F330-Y434 AromaticContact CZ-CD2 3.59Å; F330-Y434 HydrophobicContact CZ-CD2 3.59Å; F330-Y434 HydrophobicContact CZ-CE2 4.04Å; F330-Y434 HydrophobicContact CZ-CG 4.45Å; F330-R436 HydrophobicContact CD2-CG 4.09Å; F330-R436 HydrophobicContact CE2-CG 4.19Å |
| 331 | T | 98.8 | Very high | 98.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -120.7 | 5.8 | -172.8 | 66.1 | 0 | 0 | 0 | 0 | 112.9 | D327 R329 C333 I334 S335 D449 C450 | D327-T331 WeakPolarHBondContact O-CB 3.36Å; D327-T331 VanDerWaalsContact O-CG2 3.32Å; D327-T331 WeakPolarHBondContact O-CG2 3.35Å; D327-T331 PolarHBondContact O-N 3.42Å; D327-T331 PolarHBondContact O-OG1 3.43Å; R329-T331 VanDerWaalsContact C-N 3.27Å; R329-T331 PolarHBondContact O-N 2.87Å; T331-C333 PolarHBondContact O-N 2.84Å; T331-I334 VanDerWaalsContact O-CB 3.25Å; T331-I334 WeakPolarHBondContact O-CB 3.4Å; T331-I334 WeakPolarHBondContact O-CD1 3.21Å; T331-I334 WeakPolarHBondContact O-CG1 3.36Å; T331-I334 PolarHBondContact O-N 2.94Å; T331-I334 PolarHBondContact OG1-N 2.78Å; T331-S335 WeakPolarHBondContact OG1-CA 3.33Å; T331-S335 PolarHBondContact OG1-N 2.81Å; T331-D449 CarbonylContact C-O 3.51Å; T331-D449 VanDerWaalsContact C-O 3.31Å; T331-D449 WeakPolarHBondContact CA-O 3.48Å; T331-D449 VanDerWaalsContact O-O 3.12Å; T331-C450 WeakPolarHBondContact CG2-O 3.33Å |
| 332 | K | 98.7 | Very high | 98.9 | Very high | 92 Ų | 92 | 18.1 Ų | 18.1 | 40% | 0.4 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 47.4 | -173.1 | -57.4 | 177.6 | -177.2 | 173.6 | 0 | 111.7 | D328 I334 R365 D449 | D328-K332 WeakPolarHBondContact O-CA 3.43Å; D328-K332 PolarHBondContact O-N 3.11Å; K332-I334 VanDerWaalsContact C-N 3.26Å; K332-I334 PolarHBondContact O-N 3.37Å; K332-R365 WeakPolarHBondContact O-CG 3.26Å; K332-R365 PolarHBondContact O-NE 2.89Å; K332-R365 VanDerWaalsContact O-NE 3.08Å; K332-D449 HydrophobicContact CD-CB 4.32Å; K332-D449 WeakPolarHBondContact CD-OD2 3.48Å; K332-D449 WeakPolarHBondContact CE-OD1 3.21Å; K332-D449 IonicContact NZ-OD1 3.19Å; K332-D449 PolarHBondContact NZ-OD1 2.95Å; K332-D449 IonicContact NZ-OD2 2.77Å; K332-D449 PolarHBondContact NZ-OD2 3.31Å |
| 333 | C | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 20.9 | -177.8 | -56.6 | 0 | 0 | 0 | 0 | 116 | D328 T331 E361 H362 R365 | D328-C333 PolarHBondContact O-N 3.19Å; T331-C333 PolarHBondContact O-N 2.84Å; C333-E361 HydrophobicContact CB-CG 4.09Å; C333-H362 HydrophobicContact CB-CB 4.32Å; C333-H362 VanDerWaalsContact SG-CD2 3.59Å; C333-R365 HydrophobicContact CB-CG 4.34Å |
| 334 | I | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -86.7 | -29.7 | 173.3 | -68.1 | 157.9 | 0 | 0 | 0 | 111.8 | T331 K332 K341 R365 Y369 N383 D449 C450 | T331-I334 VanDerWaalsContact O-CB 3.25Å; T331-I334 WeakPolarHBondContact O-CB 3.4Å; T331-I334 WeakPolarHBondContact O-CD1 3.21Å; T331-I334 WeakPolarHBondContact O-CG1 3.36Å; T331-I334 PolarHBondContact O-N 2.94Å; T331-I334 PolarHBondContact OG1-N 2.78Å; K332-I334 VanDerWaalsContact C-N 3.26Å; K332-I334 PolarHBondContact O-N 3.37Å; I334-K341 WeakPolarHBondContact O-CB 3.17Å; I334-K341 WeakPolarHBondContact O-CG 3.22Å; I334-R365 HydrophobicContact CG1-CG 4.22Å; I334-Y369 HydrophobicContact CG2-CE2 4Å; I334-Y369 WeakPolarHBondContact CG2-OH 3.48Å; I334-Y369 WeakPolarHBondContact O-CE2 3.47Å; I334-Y369 PolarHBondContact O-OH 3.04Å; I334-N383 HydrophobicContact CG2-CB 3.94Å; I334-D449 HydrophobicContact CD1-CB 3.63Å; I334-C450 HydrophobicContact CG2-CB 4.11Å | ||
| 335 | S | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | 57.9 | -170.8 | -169.8 | -160.8 | 0 | 0 | 0 | 0 | 113.6 | D327 T331 S340 | D327-S335 VanDerWaalsContact OD2-CA 3.32Å; D327-S335 WeakPolarHBondContact OD2-CA 3.42Å; D327-S335 WeakPolarHBondContact OD2-CB 3.43Å; D327-S335 PolarHBondContact OD2-OG 3.16Å; T331-S335 WeakPolarHBondContact OG1-CA 3.33Å; T331-S335 PolarHBondContact OG1-N 2.81Å; S335-S340 WeakPolarHBondContact CB-OG 3.3Å; S335-S340 WeakPolarHBondContact OG-CB 3.46Å; S335-S340 PolarHBondContact OG-OG 2.86Å | ||
| 336 | I | 98.8 | Very high | 98.9 | Very high | 3 Ų | 3 | 13.8 Ų | 13.8 | 2% | 0.015 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -77 | -23.2 | 175.4 | -165.8 | 173.4 | 0 | 0 | 0 | 112.8 | C232 Q236 W452 Y504 | C232-I336 HydrophobicContact CB-CD1 3.89Å; C232-I336 VanDerWaalsContact SG-CD1 3.53Å; Q236-I336 HydrophobicContact CB-CG2 3.81Å; Q236-I336 HydrophobicContact CG-CG2 4.15Å; I336-W452 HydrophobicContact CB-CD2 4.04Å; I336-W452 HydrophobicContact CB-CG 3.98Å; I336-W452 HydrophobicContact CB-CZ2 4.48Å; I336-W452 HydrophobicContact CD1-CD2 3.86Å; I336-W452 HydrophobicContact CD1-CE3 3.81Å; I336-W452 HydrophobicContact CD1-CG 4.26Å; I336-W452 HydrophobicContact CD1-CZ3 4.2Å; I336-W452 HydrophobicContact CG1-CB 4.14Å; I336-W452 HydrophobicContact CG1-CD2 3.91Å; I336-W452 HydrophobicContact CG1-CE3 4.36Å; I336-W452 HydrophobicContact CG1-CG 3.82Å; I336-Y504 HydrophobicContact CD1-CD1 4.03Å; I336-Y504 HydrophobicContact CD1-CD2 4.41Å; I336-Y504 HydrophobicContact CD1-CE1 3.88Å; I336-Y504 HydrophobicContact CD1-CE2 4.31Å; I336-Y504 HydrophobicContact CD1-CG 4.3Å; I336-Y504 HydrophobicContact CG1-CE1 4Å |
| 337 | G | 98.6 | Very high | 98.9 | Very high | 3 Ų | 3 | 13.8 Ų | 13.8 | 3% | 0.031 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -169.6 | 176.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I339 S340 K341 Y369 | G337-I339 VanDerWaalsContact C-N 3.33Å; G337-I339 PolarHBondContact O-N 3.23Å; G337-S340 PolarHBondContact O-OG 3Å; G337-K341 VanDerWaalsContact O-CB 3.22Å; G337-K341 WeakPolarHBondContact O-CB 3.45Å; G337-K341 PolarHBondContact O-N 2.98Å; G337-K341 VanDerWaalsContact O-N 3.07Å; G337-Y369 VanDerWaalsContact C-OH 3.3Å; G337-Y369 WeakPolarHBondContact CA-OH 3.08Å; G337-Y369 PolarHBondContact O-OH 3.05Å |
| 338 | P | 98.8 | Very high | 98.9 | Very high | 8 Ų | 8 | 14.1 Ų | 14.1 | 5% | 0.052 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.2 | -36.3 | -169 | 23.9 | -34.6 | 0 | 0 | 0 | 113.1 | L105 T342 Y369 M379 Q380 G381 | L105-P338 HydrophobicContact CD1-CG 3.99Å; L105-P338 HydrophobicContact CD2-CB 4.41Å; L105-P338 HydrophobicContact CD2-CG 3.72Å; L105-P338 HydrophobicContact CG-CG 4.35Å; P338-T342 VanDerWaalsContact O-CB 3.26Å; P338-T342 WeakPolarHBondContact O-CB 3.46Å; P338-T342 PolarHBondContact O-N 2.69Å; P338-T342 PolarHBondContact O-OG1 3.35Å; P338-Y369 HydrophobicContact CB-CD1 3.72Å; P338-Y369 HydrophobicContact CB-CE1 3.79Å; P338-Y369 HydrophobicContact CG-CE1 4.33Å; P338-M379 HydrophobicContact CB-CE 3.5Å; P338-M379 VanDerWaalsContact CB-CE 3.5Å; P338-M379 HydrophobicContact CB-CG 4.38Å; P338-M379 HydrophobicContact CB-SD 4.08Å; P338-Q380 WeakPolarHBondContact CG-O 3.31Å; P338-G381 WeakPolarHBondContact CD-O 3.37Å |
| 339 | I | 98.9 | Very high | 98.9 | Very high | 19 Ų | 19 | 16.9 Ų | 16.9 | 10% | 0.097 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -73.2 | -55.2 | -174.2 | -59.6 | 166.7 | 0 | 0 | 0 | 110.6 | F104 L105 W193 V237 G337 K341 T342 I343 | F104-I339 HydrophobicContact CD2-CD1 3.89Å; F104-I339 HydrophobicContact CE2-CD1 3.55Å; L105-I339 HydrophobicContact CD2-CD1 3.85Å; L105-I339 HydrophobicContact CD2-CG1 3.69Å; W193-I339 HydrophobicContact CE3-CD1 4.27Å; W193-I339 HydrophobicContact CH2-CD1 4.1Å; W193-I339 HydrophobicContact CZ3-CD1 3.42Å; W193-I339 VanDerWaalsContact CZ3-CD1 3.42Å; V237-I339 HydrophobicContact CB-CG2 4.43Å; V237-I339 HydrophobicContact CG1-CG2 3.72Å; V237-I339 HydrophobicContact CG2-CB 4Å; V237-I339 HydrophobicContact CG2-CG2 3.85Å; G337-I339 VanDerWaalsContact C-N 3.33Å; G337-I339 PolarHBondContact O-N 3.23Å; I339-K341 VanDerWaalsContact C-N 3.28Å; I339-K341 PolarHBondContact O-N 3.19Å; I339-T342 PolarHBondContact O-N 3.22Å; I339-I343 HydrophobicContact CG2-CD1 3.83Å; I339-I343 HydrophobicContact CG2-CG1 4.5Å; I339-I343 WeakPolarHBondContact O-CG1 3.43Å; I339-I343 PolarHBondContact O-N 2.94Å |
| 340 | S | 98.9 | Very high | 98.9 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.014 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 176.8 | 56.8 | 0 | 0 | 0 | 0 | 110.9 | Q236 S335 G337 T342 I343 N344 | Q236-S340 WeakPolarHBondContact O-CB 3.35Å; S335-S340 WeakPolarHBondContact CB-OG 3.3Å; S335-S340 WeakPolarHBondContact OG-CB 3.46Å; S335-S340 PolarHBondContact OG-OG 2.86Å; G337-S340 PolarHBondContact O-OG 3Å; S340-T342 VanDerWaalsContact C-N 3.28Å; S340-T342 PolarHBondContact O-N 3.37Å; S340-I343 PolarHBondContact O-N 3.18Å; S340-N344 VanDerWaalsContact O-CB 3.22Å; S340-N344 WeakPolarHBondContact O-CB 3.43Å; S340-N344 PolarHBondContact O-N 2.96Å; S340-N344 PolarHBondContact O-OD1 3.09Å |
| 341 | K | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -53 | -45.9 | 172.4 | -178 | -96.3 | -179.6 | -68.6 | 0 | 112.6 | I334 G337 I339 M345 H362 Y369 | I334-K341 WeakPolarHBondContact O-CB 3.17Å; I334-K341 WeakPolarHBondContact O-CG 3.22Å; G337-K341 VanDerWaalsContact O-CB 3.22Å; G337-K341 WeakPolarHBondContact O-CB 3.45Å; G337-K341 PolarHBondContact O-N 2.98Å; G337-K341 VanDerWaalsContact O-N 3.07Å; I339-K341 VanDerWaalsContact C-N 3.28Å; I339-K341 PolarHBondContact O-N 3.19Å; K341-M345 WeakPolarHBondContact O-CB 3.31Å; K341-M345 PolarHBondContact O-N 2.67Å; K341-H362 PolarHBondContact NZ-ND1 2.99Å; K341-H362 PolarHBondContact NZ-O 3.5Å; K341-Y369 HydrophobicContact CB-CE2 4.16Å; K341-Y369 HydrophobicContact CD-CD2 4.14Å; K341-Y369 HydrophobicContact CD-CE2 4.09Å; K341-Y369 HydrophobicContact CG-CD2 4.37Å; K341-Y369 HydrophobicContact CG-CE2 3.81Å |
| 342 | T | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -73.6 | -39.9 | -172.9 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | G108 L109 T112 W197 P338 I339 S340 M345 L346 | G108-T342 WeakPolarHBondContact O-CG2 3.24Å; L109-T342 HydrophobicContact CB-CG2 4.44Å; T112-T342 HydrophobicContact CG2-CG2 4.41Å; T112-T342 WeakPolarHBondContact OG1-CG2 3.47Å; W197-T342 HydrophobicContact CH2-CG2 3.88Å; P338-T342 VanDerWaalsContact O-CB 3.26Å; P338-T342 WeakPolarHBondContact O-CB 3.46Å; P338-T342 PolarHBondContact O-N 2.69Å; P338-T342 PolarHBondContact O-OG1 3.35Å; I339-T342 PolarHBondContact O-N 3.22Å; S340-T342 VanDerWaalsContact C-N 3.28Å; S340-T342 PolarHBondContact O-N 3.37Å; T342-M345 WeakPolarHBondContact O-CB 3.34Å; T342-L346 PolarHBondContact O-N 2.84Å; T342-L346 VanDerWaalsContact O-N 3.15Å |
| 343 | I | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -76 | -37.1 | 178 | -47.6 | 166.4 | 0 | 0 | 0 | 109.8 | F196 W197 P240 M241 I339 S340 M345 L346 V347 | F196-I343 HydrophobicContact CE1-CD1 3.89Å; F196-I343 HydrophobicContact CE1-CG1 4.25Å; F196-I343 HydrophobicContact CE1-CG2 4.42Å; F196-I343 HydrophobicContact CZ-CD1 4.26Å; F196-I343 HydrophobicContact CZ-CG2 3.98Å; W197-I343 HydrophobicContact CH2-CD1 4.31Å; W197-I343 HydrophobicContact CH2-CG1 3.49Å; W197-I343 VanDerWaalsContact CH2-CG1 3.49Å; W197-I343 HydrophobicContact CZ2-CD1 4.02Å; W197-I343 HydrophobicContact CZ2-CG1 3.65Å; W197-I343 HydrophobicContact CZ3-CG1 4.47Å; P240-I343 HydrophobicContact CB-CB 3.81Å; P240-I343 HydrophobicContact CB-CG2 3.59Å; P240-I343 HydrophobicContact CG-CB 3.81Å; P240-I343 HydrophobicContact CG-CD1 4.47Å; P240-I343 HydrophobicContact CG-CG2 4.03Å; M241-I343 HydrophobicContact CE-CD1 3.89Å; M241-I343 HydrophobicContact CG-CD1 3.54Å; I339-I343 HydrophobicContact CG2-CD1 3.83Å; I339-I343 HydrophobicContact CG2-CG1 4.5Å; I339-I343 WeakPolarHBondContact O-CG1 3.43Å; I339-I343 PolarHBondContact O-N 2.94Å; S340-I343 PolarHBondContact O-N 3.18Å; I343-M345 VanDerWaalsContact C-N 3.33Å; I343-M345 PolarHBondContact O-N 2.67Å; I343-L346 WeakPolarHBondContact O-CB 3.29Å; I343-L346 PolarHBondContact O-N 2.93Å; I343-L346 VanDerWaalsContact O-N 3.13Å; I343-V347 WeakPolarHBondContact O-CG2 3.32Å; I343-V347 PolarHBondContact O-N 2.92Å |
| 344 | N | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.5 | -49.4 | 170.2 | -75.1 | 10.3 | 0 | 0 | 0 | 110.5 | P240 I324 D327 D328 S340 L346 V347 R348 | P240-N344 WeakPolarHBondContact CB-OD1 3.36Å; P240-N344 WeakPolarHBondContact CG-OD1 3.31Å; I324-N344 HydrophobicContact CG2-CB 4.08Å; D327-N344 PolarHBondContact OD2-ND2 2.51Å; D328-N344 PolarHBondContact OD1-ND2 2.87Å; D328-N344 VanDerWaalsContact OD1-ND2 3.11Å; S340-N344 VanDerWaalsContact O-CB 3.22Å; S340-N344 WeakPolarHBondContact O-CB 3.43Å; S340-N344 PolarHBondContact O-N 2.96Å; S340-N344 PolarHBondContact O-OD1 3.09Å; N344-L346 VanDerWaalsContact C-N 3.27Å; N344-L346 PolarHBondContact O-N 3.34Å; N344-V347 CarbonylContact O-C 3.59Å; N344-V347 WeakPolarHBondContact O-CA 3.42Å; N344-V347 WeakPolarHBondContact O-CB 3.11Å; N344-V347 PolarHBondContact O-N 2.85Å; N344-R348 VanDerWaalsContact O-CG 3.27Å; N344-R348 WeakPolarHBondContact O-CG 3.15Å; N344-R348 PolarHBondContact O-N 3.37Å |
| 345 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -53.5 | -43.3 | 175.7 | 177.9 | 164.7 | 76.7 | 0 | 0 | 112.4 | L109 T112 I118 K341 T342 I343 R348 W349 F359 H362 I366 | L109-M345 HydrophobicContact CD1-CE 3.93Å; T112-M345 HydrophobicContact CG2-CE 3.63Å; T112-M345 HydrophobicContact CG2-CG 4.4Å; I118-M345 HydrophobicContact CD1-CE 3.85Å; I118-M345 HydrophobicContact CD1-CG 4.5Å; I118-M345 HydrophobicContact CD1-SD 4.01Å; K341-M345 WeakPolarHBondContact O-CB 3.31Å; K341-M345 PolarHBondContact O-N 2.67Å; T342-M345 WeakPolarHBondContact O-CB 3.34Å; I343-M345 VanDerWaalsContact C-N 3.33Å; I343-M345 PolarHBondContact O-N 2.67Å; M345-R348 PolarHBondContact O-N 3.35Å; M345-W349 PolarHBondContact O-N 3.44Å; M345-F359 HydrophobicContact CG-CD2 4.22Å; M345-F359 HydrophobicContact CG-CE2 3.85Å; M345-H362 HydrophobicContact CB-CB 3.95Å; M345-H362 HydrophobicContact CG-CB 3.72Å; M345-H362 HydrophobicContact SD-CB 3.98Å; M345-I366 HydrophobicContact CE-CD1 3.8Å; M345-I366 HydrophobicContact CE-CG1 3.97Å; M345-I366 HydrophobicContact SD-CD1 3.81Å; M345-I366 HydrophobicContact SD-CG1 3.86Å |
| 346 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.2 | -41.2 | 175.8 | -177.2 | 63.1 | 0 | 0 | 0 | 112.3 | T112 I115 V200 L249 T342 I343 N344 W349 Y350 | T112-L346 HydrophobicContact CG2-CB 3.88Å; T112-L346 HydrophobicContact CG2-CD1 4.23Å; I115-L346 HydrophobicContact CB-CD1 4.27Å; I115-L346 HydrophobicContact CG2-CD1 3.88Å; V200-L346 HydrophobicContact CG1-CD2 3.61Å; L249-L346 HydrophobicContact CD1-CD1 4.49Å; L249-L346 HydrophobicContact CD1-CD2 4.26Å; L249-L346 HydrophobicContact CD1-CG 3.98Å; L249-L346 HydrophobicContact CD2-CD1 4.27Å; L249-L346 HydrophobicContact CD2-CD2 3.94Å; L249-L346 HydrophobicContact CD2-CG 4.23Å; T342-L346 PolarHBondContact O-N 2.84Å; T342-L346 VanDerWaalsContact O-N 3.15Å; I343-L346 WeakPolarHBondContact O-CB 3.29Å; I343-L346 PolarHBondContact O-N 2.93Å; I343-L346 VanDerWaalsContact O-N 3.13Å; N344-L346 VanDerWaalsContact C-N 3.27Å; N344-L346 PolarHBondContact O-N 3.34Å; L346-W349 HydrophobicContact CD1-CE3 3.73Å; L346-W349 HydrophobicContact CD1-CZ3 4.11Å; L346-W349 WeakPolarHBondContact O-CB 3.31Å; L346-W349 PolarHBondContact O-N 3.34Å; L346-Y350 WeakPolarHBondContact O-CB 3.32Å; L346-Y350 PolarHBondContact O-N 2.85Å |
| 347 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 175.1 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | P240 Y243 Y321 I324 I343 N344 W349 Y350 V351 | P240-V347 HydrophobicContact CB-CG2 4.26Å; Y243-V347 HydrophobicContact CD1-CB 4.25Å; Y243-V347 HydrophobicContact CD1-CG1 3.69Å; Y243-V347 HydrophobicContact CD1-CG2 3.59Å; Y243-V347 HydrophobicContact CD2-CG1 4.28Å; Y243-V347 HydrophobicContact CE1-CG1 3.76Å; Y243-V347 HydrophobicContact CE1-CG2 4.32Å; Y243-V347 HydrophobicContact CE2-CG1 4.32Å; Y243-V347 HydrophobicContact CG-CG1 3.99Å; Y243-V347 HydrophobicContact CG-CG2 4.02Å; Y321-V347 HydrophobicContact CD2-CG1 3.92Å; Y321-V347 HydrophobicContact CE2-CG1 4.19Å; I324-V347 HydrophobicContact CD1-CB 4.34Å; I324-V347 HydrophobicContact CD1-CG1 3.92Å; I324-V347 HydrophobicContact CD1-CG2 4.19Å; I324-V347 HydrophobicContact CG2-CG1 4.44Å; I343-V347 WeakPolarHBondContact O-CG2 3.32Å; I343-V347 PolarHBondContact O-N 2.92Å; N344-V347 CarbonylContact O-C 3.59Å; N344-V347 WeakPolarHBondContact O-CA 3.42Å; N344-V347 WeakPolarHBondContact O-CB 3.11Å; N344-V347 PolarHBondContact O-N 2.85Å; V347-W349 PolarHBondContact O-N 2.79Å; V347-Y350 PolarHBondContact O-N 2.58Å; V347-V351 HydrophobicContact CG1-CG2 4.25Å; V347-V351 WeakPolarHBondContact O-CG2 3.45Å; V347-V351 PolarHBondContact O-N 3.49Å |
| 348 | R | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 4% | 0.038 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.7 | -38.5 | 177.9 | -57.1 | -36.5 | -68 | -90.1 | -2.3 | 112 | Y321 D328 N344 M345 D352 G353 | Y321-R348 PolarHBondContact OH-NE 3Å; Y321-R348 PolarHBondContact OH-NH2 3.18Å; D328-R348 WeakPolarHBondContact OD2-CD 3.33Å; D328-R348 WeakPolarHBondContact OD2-CG 3.33Å; D328-R348 IonicContact OD2-CZ 2.76Å; D328-R348 IonicContact OD2-NE 3.22Å; D328-R348 IonicContact OD2-NH1 3.62Å; D328-R348 PolarHBondContact OD2-NH1 2.91Å; N344-R348 VanDerWaalsContact O-CG 3.27Å; N344-R348 WeakPolarHBondContact O-CG 3.15Å; N344-R348 PolarHBondContact O-N 3.37Å; M345-R348 PolarHBondContact O-N 3.35Å; R348-D352 WeakPolarHBondContact CA-OD2 3.49Å; R348-D352 IonicContact CZ-OD1 2.81Å; R348-D352 IonicContact CZ-OD2 3.79Å; R348-D352 IonicContact NE-OD1 2.85Å; R348-D352 IonicContact NE-OD2 3.8Å; R348-D352 PolarHBondContact NE-OD2 3.47Å; R348-D352 IonicContact NH2-OD1 2.71Å; R348-D352 PolarHBondContact NH2-OD1 3.3Å; R348-D352 IonicContact NH2-OD2 2.89Å; R348-D352 PolarHBondContact NH2-OD2 3.23Å; R348-D352 WeakPolarHBondContact O-CA 3.46Å; R348-D352 VanDerWaalsContact O-CB 3.28Å; R348-D352 WeakPolarHBondContact O-CB 3.48Å; R348-D352 PolarHBondContact O-N 2.99Å; R348-G353 PolarHBondContact O-N 2.83Å |
| 349 | W | 98.9 | Very high | 98.8 | Very high | 61 Ų | 61 | 32.1 Ų | 32.1 | 23% | 0.231 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.3 | -48.4 | 170.3 | 169.3 | 77.6 | 0 | 0 | 0 | 111.9 | I115 A116 M345 L346 V347 G353 F359 | I115-W349 HydrophobicContact CG2-CE3 4.26Å; I115-W349 HydrophobicContact CG2-CH2 3.55Å; I115-W349 HydrophobicContact CG2-CZ2 4.27Å; I115-W349 HydrophobicContact CG2-CZ3 3.54Å; A116-W349 HydrophobicContact CB-CB 4.16Å; A116-W349 HydrophobicContact CB-CD2 3.83Å; A116-W349 HydrophobicContact CB-CG 3.56Å; M345-W349 PolarHBondContact O-N 3.44Å; L346-W349 HydrophobicContact CD1-CE3 3.73Å; L346-W349 HydrophobicContact CD1-CZ3 4.11Å; L346-W349 WeakPolarHBondContact O-CB 3.31Å; L346-W349 PolarHBondContact O-N 3.34Å; V347-W349 PolarHBondContact O-N 2.79Å; W349-G353 WeakPolarHBondContact O-CA 3.06Å; W349-G353 PolarHBondContact O-N 2.93Å; W349-G353 VanDerWaalsContact O-N 3.1Å; W349-F359 HydrophobicContact CB-CD2 3.64Å; W349-F359 HydrophobicContact CB-CE2 3.5Å; W349-F359 VanDerWaalsContact CB-CE2 3.5Å; W349-F359 HydrophobicContact CB-CG 4.42Å; W349-F359 HydrophobicContact CB-CZ 4.12Å; W349-F359 AromaticContact CD1-CZ 3.93Å; W349-F359 HydrophobicContact CG-CE2 4.19Å; W349-F359 HydrophobicContact CG-CZ 4.34Å |
| 350 | Y | 98.8 | Very high | 98.8 | Very high | 113 Ų | 113 | 36 Ų | 36 | 44% | 0.443 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66 | -40.1 | -176 | -179.3 | -98.8 | 0 | 0 | 0 | 112.8 | Y243 V247 L249 L346 V347 | Y243-Y350 HydrophobicContact CE1-CD1 4.12Å; V247-Y350 HydrophobicContact CB-CE1 4.3Å; V247-Y350 HydrophobicContact CG2-CD1 4.49Å; V247-Y350 HydrophobicContact CG2-CE1 3.92Å; L249-Y350 HydrophobicContact CD1-CD1 4.46Å; L249-Y350 HydrophobicContact CD1-CD2 3.82Å; L249-Y350 HydrophobicContact CD1-CG 3.76Å; L249-Y350 HydrophobicContact CG-CD2 4.03Å; L249-Y350 HydrophobicContact CG-CE2 4.41Å; L249-Y350 HydrophobicContact CG-CG 4.45Å; L346-Y350 WeakPolarHBondContact O-CB 3.32Å; L346-Y350 PolarHBondContact O-N 2.85Å; V347-Y350 PolarHBondContact O-N 2.58Å |
| 351 | V | 98.8 | Very high | 98.8 | Very high | 59 Ų | 59 | 39.4 Ų | 39.4 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -92.2 | -51.3 | -174.6 | -177.3 | 0 | 0 | 0 | 0 | 112.8 | Y243 Y321 V347 | Y243-V351 HydrophobicContact CE1-CG2 4.08Å; Y243-V351 WeakPolarHBondContact OH-CG2 3.44Å; Y321-V351 HydrophobicContact CD1-CG1 4.48Å; Y321-V351 HydrophobicContact CD2-CB 4.48Å; Y321-V351 HydrophobicContact CD2-CG1 4.43Å; Y321-V351 HydrophobicContact CD2-CG2 4.13Å; Y321-V351 HydrophobicContact CE1-CG1 3.83Å; Y321-V351 HydrophobicContact CE2-CB 3.8Å; Y321-V351 HydrophobicContact CE2-CG1 3.8Å; Y321-V351 HydrophobicContact CE2-CG2 3.92Å; Y321-V351 VanDerWaalsContact CZ-CG1 3.48Å; V347-V351 HydrophobicContact CG1-CG2 4.25Å; V347-V351 WeakPolarHBondContact O-CG2 3.45Å; V347-V351 PolarHBondContact O-N 3.49Å |
| 352 | D | 98.8 | Very high | 98.8 | Very high | 53 Ų | 53 | 39.4 Ų | 39.4 | 28% | 0.283 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -87.4 | -19.2 | -174 | -49.4 | -110.6 | 0 | 0 | 0 | 112 | Y321 R348 S356 V358 | Y321-D352 PolarHBondContact OH-OD1 3.47Å; Y321-D352 PolarHBondContact OH-OD2 3.19Å; R348-D352 WeakPolarHBondContact CA-OD2 3.49Å; R348-D352 IonicContact CZ-OD1 2.81Å; R348-D352 IonicContact CZ-OD2 3.79Å; R348-D352 IonicContact NE-OD1 2.85Å; R348-D352 IonicContact NE-OD2 3.8Å; R348-D352 PolarHBondContact NE-OD2 3.47Å; R348-D352 IonicContact NH2-OD1 2.71Å; R348-D352 PolarHBondContact NH2-OD1 3.3Å; R348-D352 IonicContact NH2-OD2 2.89Å; R348-D352 PolarHBondContact NH2-OD2 3.23Å; R348-D352 WeakPolarHBondContact O-CA 3.46Å; R348-D352 VanDerWaalsContact O-CB 3.28Å; R348-D352 WeakPolarHBondContact O-CB 3.48Å; R348-D352 PolarHBondContact O-N 2.99Å; D352-S356 WeakPolarHBondContact CB-OG 3.28Å; D352-S356 WeakPolarHBondContact O-CB 3.38Å; D352-V358 HydrophobicContact CB-CG1 4.04Å |
| 353 | G | 98.5 | Very high | 98.8 | Very high | 17 Ų | 17 | 41 Ų | 41 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | trans | 85.7 | 161.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R348 W349 T355 S356 | R348-G353 PolarHBondContact O-N 2.83Å; W349-G353 WeakPolarHBondContact O-CA 3.06Å; W349-G353 PolarHBondContact O-N 2.93Å; W349-G353 VanDerWaalsContact O-N 3.1Å; G353-T355 PolarHBondContact O-N 3.46Å; G353-S356 WeakPolarHBondContact O-CB 3.48Å; G353-S356 PolarHBondContact O-N 2.65Å; G353-S356 VanDerWaalsContact O-N 3.15Å; G353-S356 PolarHBondContact O-OG 2.99Å | ||
| 354 | P | 98.2 | Very high | 98.8 | Very high | 66 Ų | 66 | 43.7 Ų | 43.7 | 43% | 0.429 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18.4 | -172.6 | 27.8 | -36.1 | 0 | 0 | 0 | 113.8 | F359 Q360 | P354-F359 HydrophobicContact CB-CD1 4.36Å; P354-F359 HydrophobicContact CB-CE1 4.18Å; P354-F359 VanDerWaalsContact O-CD1 3.32Å; P354-F359 WeakPolarHBondContact O-CD1 3.21Å; P354-Q360 PolarHBondContact O-NE2 2.86Å |
| 355 | T | 98.1 | Very high | 98.7 | Very high | 131 Ų | 131 | 44.5 Ų | 44.5 | 80% | 0.804 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2.5 | 178.9 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | G353 | G353-T355 PolarHBondContact O-N 3.46Š|
| 356 | S | 98.8 | Very high | 98.7 | Very high | 21 Ų | 21 | 44.7 Ų | 44.7 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -69.1 | 143.6 | 180 | 67.5 | 0 | 0 | 0 | 0 | 111.7 | D352 G353 V358 F359 Q360 | D352-S356 WeakPolarHBondContact CB-OG 3.28Å; D352-S356 WeakPolarHBondContact O-CB 3.38Å; G353-S356 WeakPolarHBondContact O-CB 3.48Å; G353-S356 PolarHBondContact O-N 2.65Å; G353-S356 VanDerWaalsContact O-N 3.15Å; G353-S356 PolarHBondContact O-OG 2.99Å; S356-V358 PolarHBondContact O-N 3.24Å; S356-F359 PolarHBondContact O-N 3.5Å; S356-F359 WeakPolarHBondContact OG-CB 3.35Å; S356-F359 PolarHBondContact OG-N 2.8Å; S356-Q360 WeakPolarHBondContact O-CG 3.49Å; S356-Q360 PolarHBondContact O-N 3.1Å |
| 357 | A | 98.7 | Very high | 98.7 | Very high | 86 Ų | 86 | 45.9 Ų | 45.9 | 71% | 0.711 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -58.9 | -36.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q360 E361 | A357-Q360 PolarHBondContact O-N 2.89Å; A357-E361 PolarHBondContact O-N 3.43Å |
| 358 | V | 98.7 | Very high | 98.7 | Very high | 29 Ų | 29 | 46.1 Ų | 46.1 | 18% | 0.176 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.5 | -37.5 | -179.6 | 66.7 | 0 | 0 | 0 | 0 | 112.9 | D352 S356 E361 H362 | D352-V358 HydrophobicContact CB-CG1 4.04Å; S356-V358 PolarHBondContact O-N 3.24Å; V358-E361 PolarHBondContact O-N 3.35Å; V358-H362 PolarHBondContact O-N 3.44Å |
| 359 | F | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 172.4 | 176.2 | -107.1 | 0 | 0 | 0 | 111 | A116 I118 M345 W349 P354 S356 E361 H362 V363 | A116-F359 HydrophobicContact CB-CE2 4.28Å; A116-F359 HydrophobicContact CB-CZ 3.95Å; I118-F359 HydrophobicContact CD1-CE2 4.14Å; I118-F359 HydrophobicContact CD1-CZ 3.84Å; I118-F359 HydrophobicContact CG1-CZ 3.78Å; M345-F359 HydrophobicContact CG-CD2 4.22Å; M345-F359 HydrophobicContact CG-CE2 3.85Å; W349-F359 HydrophobicContact CB-CD2 3.64Å; W349-F359 HydrophobicContact CB-CE2 3.5Å; W349-F359 VanDerWaalsContact CB-CE2 3.5Å; W349-F359 HydrophobicContact CB-CG 4.42Å; W349-F359 HydrophobicContact CB-CZ 4.12Å; W349-F359 AromaticContact CD1-CZ 3.93Å; W349-F359 HydrophobicContact CG-CE2 4.19Å; W349-F359 HydrophobicContact CG-CZ 4.34Å; P354-F359 HydrophobicContact CB-CD1 4.36Å; P354-F359 HydrophobicContact CB-CE1 4.18Å; P354-F359 VanDerWaalsContact O-CD1 3.32Å; P354-F359 WeakPolarHBondContact O-CD1 3.21Å; S356-F359 PolarHBondContact O-N 3.5Å; S356-F359 WeakPolarHBondContact OG-CB 3.35Å; S356-F359 PolarHBondContact OG-N 2.8Å; F359-E361 VanDerWaalsContact C-N 3.31Å; F359-E361 PolarHBondContact O-N 3.3Å; F359-H362 VanDerWaalsContact O-CB 3.3Å; F359-H362 WeakPolarHBondContact O-CB 3.34Å; F359-H362 PolarHBondContact O-N 3.49Å; F359-H362 VanDerWaalsContact O-N 3.17Å; F359-V363 HydrophobicContact CD1-CG2 4.22Å; F359-V363 HydrophobicContact CE1-CG2 3.77Å; F359-V363 HydrophobicContact CE2-CG2 4.03Å; F359-V363 HydrophobicContact CZ-CG2 3.67Å; F359-V363 WeakPolarHBondContact O-CG2 3.22Å; F359-V363 PolarHBondContact O-N 3.16Å |
| 360 | Q | 98.8 | Very high | 98.7 | Very high | 100 Ų | 100 | 43 Ų | 43 | 47% | 0.467 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 174.9 | -66.5 | -62 | -31.9 | 0 | 0 | 112.3 | P354 S356 A357 V363 S364 | P354-Q360 PolarHBondContact O-NE2 2.86Å; S356-Q360 WeakPolarHBondContact O-CG 3.49Å; S356-Q360 PolarHBondContact O-N 3.1Å; A357-Q360 PolarHBondContact O-N 2.89Å; Q360-V363 PolarHBondContact O-N 3.5Å; Q360-S364 WeakPolarHBondContact O-CB 3.24Å; Q360-S364 PolarHBondContact O-N 2.99Å |
| 361 | E | 98.9 | Very high | 98.8 | Very high | 75 Ų | 75 | 37.9 Ų | 37.9 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 171.6 | -171.6 | 174.9 | -171.7 | 0 | 0 | 111 | C333 A357 V358 F359 V363 S364 R365 | C333-E361 HydrophobicContact CB-CG 4.09Å; A357-E361 PolarHBondContact O-N 3.43Å; V358-E361 PolarHBondContact O-N 3.35Å; F359-E361 VanDerWaalsContact C-N 3.31Å; F359-E361 PolarHBondContact O-N 3.3Å; E361-V363 PolarHBondContact O-N 2.91Å; E361-S364 WeakPolarHBondContact O-CB 3.35Å; E361-S364 PolarHBondContact O-N 3.45Å; E361-S364 VanDerWaalsContact O-N 3.14Å; E361-S364 PolarHBondContact O-OG 3.11Å; E361-R365 WeakPolarHBondContact O-CG 3.47Å; E361-R365 PolarHBondContact O-N 3.25Å; E361-R365 VanDerWaalsContact O-N 3.13Å |
| 362 | H | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.7 | -46.5 | 173 | -99.1 | -68.9 | 0 | 0 | 0 | 113 | D328 C333 K341 M345 V358 F359 S364 R365 I366 | D328-H362 IonicContact OD1-CE1 2.73Å; D328-H362 PolarHBondContact OD1-CE1 3.5Å; D328-H362 VanDerWaalsContact OD1-CE1 3.3Å; D328-H362 IonicContact OD1-NE2 3.74Å; D328-H362 PolarHBondContact OD1-NE2 3.09Å; D328-H362 IonicContact OD2-CD2 3.99Å; D328-H362 IonicContact OD2-NE2 3.85Å; D328-H362 PolarHBondContact OD2-NE2 3.27Å; C333-H362 HydrophobicContact CB-CB 4.32Å; C333-H362 VanDerWaalsContact SG-CD2 3.59Å; K341-H362 PolarHBondContact NZ-ND1 2.99Å; K341-H362 PolarHBondContact NZ-O 3.5Å; M345-H362 HydrophobicContact CB-CB 3.95Å; M345-H362 HydrophobicContact CG-CB 3.72Å; M345-H362 HydrophobicContact SD-CB 3.98Å; V358-H362 PolarHBondContact O-N 3.44Å; F359-H362 VanDerWaalsContact O-CB 3.3Å; F359-H362 WeakPolarHBondContact O-CB 3.34Å; F359-H362 PolarHBondContact O-N 3.49Å; F359-H362 VanDerWaalsContact O-N 3.17Å; H362-S364 VanDerWaalsContact C-N 3.32Å; H362-R365 PolarHBondContact O-N 3.33Å; H362-R365 VanDerWaalsContact O-N 3.15Å; H362-I366 PolarHBondContact O-N 3.22Å |
| 363 | V | 98.9 | Very high | 98.7 | Very high | 34 Ų | 34 | 32.6 Ų | 32.6 | 21% | 0.206 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.3 | 173 | 0 | 0 | 0 | 0 | 110.5 | I118 F359 Q360 E361 R365 I366 | I118-V363 HydrophobicContact CD1-CG2 4.03Å; I118-V363 HydrophobicContact CG1-CG2 4.16Å; I118-V363 HydrophobicContact CG2-CG1 4.01Å; I118-V363 HydrophobicContact CG2-CG2 4.29Å; F359-V363 HydrophobicContact CD1-CG2 4.22Å; F359-V363 HydrophobicContact CE1-CG2 3.77Å; F359-V363 HydrophobicContact CE2-CG2 4.03Å; F359-V363 HydrophobicContact CZ-CG2 3.67Å; F359-V363 WeakPolarHBondContact O-CG2 3.22Å; F359-V363 PolarHBondContact O-N 3.16Å; Q360-V363 PolarHBondContact O-N 3.5Å; E361-V363 PolarHBondContact O-N 2.91Å; V363-R365 PolarHBondContact O-N 2.86Å; V363-R365 VanDerWaalsContact O-N 3.09Å; V363-I366 HydrophobicContact CG1-CD1 4.38Å; V363-I366 WeakPolarHBondContact O-CB 3.31Å; V363-I366 WeakPolarHBondContact O-CG1 3.48Å; V363-I366 PolarHBondContact O-N 3.46Å; V363-I366 VanDerWaalsContact O-N 3.1Å |
| 364 | S | 98.7 | Very high | 98.7 | Very high | 57 Ų | 57 | 33.9 Ų | 33.9 | 40% | 0.399 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63 | -17.1 | 177.8 | 85.2 | 0 | 0 | 0 | 0 | 114 | R33 Q360 E361 H362 P367 | R33-S364 PolarHBondContact NH2-O 2.92Å; Q360-S364 WeakPolarHBondContact O-CB 3.24Å; Q360-S364 PolarHBondContact O-N 2.99Å; E361-S364 WeakPolarHBondContact O-CB 3.35Å; E361-S364 PolarHBondContact O-N 3.45Å; E361-S364 VanDerWaalsContact O-N 3.14Å; E361-S364 PolarHBondContact O-OG 3.11Å; H362-S364 VanDerWaalsContact C-N 3.32Å; S364-P367 WeakPolarHBondContact O-CD 3.31Å |
| 365 | R | 98.8 | Very high | 98.8 | Very high | 16 Ų | 16 | 31 Ų | 31 | 6% | 0.06 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -2.9 | 177.9 | -67.2 | -64.3 | -168.2 | 175.7 | 0.6 | 114.7 | K332 C333 I334 E361 H362 V363 D368 D449 | K332-R365 WeakPolarHBondContact O-CG 3.26Å; K332-R365 PolarHBondContact O-NE 2.89Å; K332-R365 VanDerWaalsContact O-NE 3.08Å; C333-R365 HydrophobicContact CB-CG 4.34Å; I334-R365 HydrophobicContact CG1-CG 4.22Å; E361-R365 WeakPolarHBondContact O-CG 3.47Å; E361-R365 PolarHBondContact O-N 3.25Å; E361-R365 VanDerWaalsContact O-N 3.13Å; H362-R365 PolarHBondContact O-N 3.33Å; H362-R365 VanDerWaalsContact O-N 3.15Å; V363-R365 PolarHBondContact O-N 2.86Å; V363-R365 VanDerWaalsContact O-N 3.09Å; R365-D368 WeakPolarHBondContact CA-OD1 3.42Å; R365-D368 VanDerWaalsContact CD-OD2 3.3Å; R365-D368 WeakPolarHBondContact CD-OD2 3.14Å; R365-D368 IonicContact CZ-OD2 3.57Å; R365-D368 IonicContact NH1-OD2 3.48Å; R365-D368 PolarHBondContact NH1-OD2 3.41Å; R365-D368 WeakPolarHBondContact O-CB 3.35Å; R365-D368 PolarHBondContact O-N 3.47Å; R365-D449 IonicContact CZ-OD2 3.9Å; R365-D449 IonicContact NH1-OD2 2.84Å; R365-D449 IonicContact NH2-OD2 3.31Å; R365-D449 PolarHBondContact NH2-OD2 3.44Å |
| 366 | I | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -57.4 | -45.2 | 169 | -63.3 | 170.3 | 0 | 0 | 0 | 112 | L109 I118 M345 H362 V363 D368 Y369 L370 | L109-I366 HydrophobicContact CD1-CD1 4.27Å; L109-I366 HydrophobicContact CD1-CG1 4.17Å; L109-I366 HydrophobicContact CD1-CG2 3.99Å; L109-I366 HydrophobicContact CD2-CG2 4Å; I118-I366 HydrophobicContact CD1-CD1 4.23Å; I118-I366 HydrophobicContact CG2-CD1 3.95Å; M345-I366 HydrophobicContact CE-CD1 3.8Å; M345-I366 HydrophobicContact CE-CG1 3.97Å; M345-I366 HydrophobicContact SD-CD1 3.81Å; M345-I366 HydrophobicContact SD-CG1 3.86Å; H362-I366 PolarHBondContact O-N 3.22Å; V363-I366 HydrophobicContact CG1-CD1 4.38Å; V363-I366 WeakPolarHBondContact O-CB 3.31Å; V363-I366 WeakPolarHBondContact O-CG1 3.48Å; V363-I366 PolarHBondContact O-N 3.46Å; V363-I366 VanDerWaalsContact O-N 3.1Å; I366-D368 PolarHBondContact O-N 3.04Å; I366-D368 VanDerWaalsContact O-N 3.16Å; I366-Y369 PolarHBondContact O-N 3.23Å; I366-Y369 VanDerWaalsContact O-N 3.08Å; I366-L370 HydrophobicContact CG2-CD1 3.79Å; I366-L370 HydrophobicContact CG2-CG 4.39Å |
| 367 | P | 98.9 | Very high | 98.8 | Very high | 26 Ų | 26 | 23.8 Ų | 23.8 | 17% | 0.169 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -56.8 | -31.9 | -179.9 | -22.9 | 33.2 | 0 | 0 | 0 | 113.7 | T35 W124 S364 Y369 L370 | T35-P367 HydrophobicContact CG2-CB 3.68Å; W124-P367 HydrophobicContact CH2-CB 3.66Å; W124-P367 HydrophobicContact CH2-CG 3.67Å; W124-P367 HydrophobicContact CZ3-CB 4.35Å; W124-P367 HydrophobicContact CZ3-CG 4.21Å; S364-P367 WeakPolarHBondContact O-CD 3.31Å; P367-Y369 PolarHBondContact O-N 2.9Å; P367-Y369 VanDerWaalsContact O-N 3.14Å; P367-L370 PolarHBondContact O-N 2.8Å; P367-L370 VanDerWaalsContact O-N 3.12Å |
| 368 | D | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 19.9 Ų | 19.9 | 3% | 0.027 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -62.1 | -19.6 | -179.4 | -56.1 | 42.3 | 0 | 0 | 0 | 112.7 | R33 R365 I366 N383 | R33-D368 WeakPolarHBondContact CD-OD2 3.22Å; R33-D368 WeakPolarHBondContact CG-OD2 3.42Å; R33-D368 IonicContact CZ-OD1 2.64Å; R33-D368 VanDerWaalsContact CZ-OD1 3.29Å; R33-D368 IonicContact CZ-OD2 2.7Å; R33-D368 IonicContact NE-OD1 2.64Å; R33-D368 PolarHBondContact NE-OD1 3.22Å; R33-D368 IonicContact NE-OD2 3.99Å; R33-D368 PolarHBondContact NE-OD2 2.85Å; R33-D368 IonicContact NH2-OD1 2.96Å; R33-D368 PolarHBondContact NH2-OD1 3.13Å; R33-D368 IonicContact NH2-OD2 3.67Å; R365-D368 WeakPolarHBondContact CA-OD1 3.42Å; R365-D368 VanDerWaalsContact CD-OD2 3.3Å; R365-D368 WeakPolarHBondContact CD-OD2 3.14Å; R365-D368 IonicContact CZ-OD2 3.57Å; R365-D368 IonicContact NH1-OD2 3.48Å; R365-D368 PolarHBondContact NH1-OD2 3.41Å; R365-D368 WeakPolarHBondContact O-CB 3.35Å; R365-D368 PolarHBondContact O-N 3.47Å; I366-D368 PolarHBondContact O-N 3.04Å; I366-D368 VanDerWaalsContact O-N 3.16Å; D368-N383 HydrophobicContact CB-CB 4.37Å; D368-N383 WeakPolarHBondContact O-CA 3.45Å |
| 369 | Y | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -106.6 | -0.4 | -179.5 | -79.6 | -81.7 | 0 | 0 | 0 | 113.2 | I334 G337 P338 K341 I366 P367 M379 Q380 T382 N383 | I334-Y369 HydrophobicContact CG2-CE2 4Å; I334-Y369 WeakPolarHBondContact CG2-OH 3.48Å; I334-Y369 WeakPolarHBondContact O-CE2 3.47Å; I334-Y369 PolarHBondContact O-OH 3.04Å; G337-Y369 VanDerWaalsContact C-OH 3.3Å; G337-Y369 WeakPolarHBondContact CA-OH 3.08Å; G337-Y369 PolarHBondContact O-OH 3.05Å; P338-Y369 HydrophobicContact CB-CD1 3.72Å; P338-Y369 HydrophobicContact CB-CE1 3.79Å; P338-Y369 HydrophobicContact CG-CE1 4.33Å; K341-Y369 HydrophobicContact CB-CE2 4.16Å; K341-Y369 HydrophobicContact CD-CD2 4.14Å; K341-Y369 HydrophobicContact CD-CE2 4.09Å; K341-Y369 HydrophobicContact CG-CD2 4.37Å; K341-Y369 HydrophobicContact CG-CE2 3.81Å; I366-Y369 PolarHBondContact O-N 3.23Å; I366-Y369 VanDerWaalsContact O-N 3.08Å; P367-Y369 PolarHBondContact O-N 2.9Å; P367-Y369 VanDerWaalsContact O-N 3.14Å; Y369-M379 HydrophobicContact CD1-CE 4.45Å; Y369-M379 HydrophobicContact CG-CE 4.17Å; Y369-M379 CarbonylContact O-C 3.57Å; Y369-M379 VanDerWaalsContact O-CA 3.26Å; Y369-M379 WeakPolarHBondContact O-CA 3.07Å; Y369-Q380 PolarHBondContact O-N 3.12Å; Y369-T382 WeakPolarHBondContact CD1-O 3.35Å; Y369-N383 HydrophobicContact CE1-CB 4.15Å; Y369-N383 VanDerWaalsContact CE1-N 3.26Å; Y369-N383 HydrophobicContact CE2-CB 4.18Å |
| 370 | L | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 18.6 Ų | 18.6 | 3% | 0.026 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.2 | -175.7 | -66.2 | 177.2 | 0 | 0 | 0 | 111.1 | L106 L109 W124 M128 I366 P367 M377 K378 M379 | L106-L370 HydrophobicContact CD1-CD2 4.27Å; L109-L370 HydrophobicContact CD2-CD1 4.43Å; L109-L370 HydrophobicContact CD2-CD2 3.88Å; L109-L370 HydrophobicContact CD2-CG 4.44Å; W124-L370 HydrophobicContact CE3-CD1 3.55Å; W124-L370 HydrophobicContact CZ3-CD1 3.55Å; M128-L370 HydrophobicContact CE-CD1 3.39Å; M128-L370 HydrophobicContact CE-CD2 3.75Å; M128-L370 HydrophobicContact CE-CG 4.2Å; I366-L370 HydrophobicContact CG2-CD1 3.79Å; I366-L370 HydrophobicContact CG2-CG 4.39Å; P367-L370 PolarHBondContact O-N 2.8Å; P367-L370 VanDerWaalsContact O-N 3.12Å; L370-M377 HydrophobicContact CB-CG 4.27Å; L370-M377 HydrophobicContact CB-SD 4.1Å; L370-M377 HydrophobicContact CD1-SD 4.14Å; L370-K378 WeakPolarHBondContact CA-O 3.43Å; L370-M379 HydrophobicContact CD2-CB 4.25Å; L370-M379 HydrophobicContact CD2-CG 4.39Å |
| 371 | W | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.015 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 129.8 | -178.5 | -178.3 | -93.2 | 0 | 0 | 0 | 111.1 | L27 W36 A96 M377 K378 Q380 | L27-W371 HydrophobicContact CD1-CZ3 4.09Å; L27-W371 HydrophobicContact CD2-CH2 3.94Å; L27-W371 HydrophobicContact CD2-CZ3 4.05Å; W36-W371 HydrophobicContact CZ2-CH2 4.18Å; W36-W371 HydrophobicContact CZ2-CZ2 4.17Å; W36-W371 HydrophobicContact CZ2-CZ3 4.49Å; W36-W371 AromaticContact NE1-CD2 3.53Å; W36-W371 AromaticContact NE1-CE3 3.29Å; W36-W371 VanDerWaalsContact NE1-CE3 3.29Å; W36-W371 AromaticContact NE1-CZ3 3.6Å; A96-W371 HydrophobicContact CB-CH2 3.96Å; A96-W371 HydrophobicContact CB-CZ3 4.17Å; W371-M377 CarbonylContact O-C 3.56Å; W371-M377 VanDerWaalsContact O-CA 3.31Å; W371-M377 WeakPolarHBondContact O-CA 3.41Å; W371-K378 PolarHBondContact N-O 2.73Å; W371-K378 PolarHBondContact O-N 3.16Å; W371-Q380 HydrophobicContact CB-CG 3.71Å |
| 372 | L | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 104.6 | 171.1 | -174.1 | 61.4 | 0 | 0 | 0 | 109.6 | W25 W36 L57 E127 M377 | W25-L372 HydrophobicContact CB-CD2 3.95Å; W25-L372 HydrophobicContact CD2-CD2 3.21Å; W25-L372 HydrophobicContact CE3-CD2 3.73Å; W25-L372 HydrophobicContact CG-CD2 3.32Å; W25-L372 HydrophobicContact CH2-CD2 4.37Å; W25-L372 HydrophobicContact CZ2-CD2 4Å; W25-L372 HydrophobicContact CZ3-CD2 4.27Å; W36-L372 HydrophobicContact CD2-CB 3.93Å; W36-L372 HydrophobicContact CE3-CB 4.39Å; W36-L372 HydrophobicContact CG-CB 4.07Å; L57-L372 HydrophobicContact CD2-CB 4.03Å; L57-L372 HydrophobicContact CD2-CD2 3.37Å; L57-L372 HydrophobicContact CD2-CG 3.39Å; E127-L372 HydrophobicContact CB-CD1 3.83Å; E127-L372 HydrophobicContact CG-CD1 3.78Å; L372-M377 HydrophobicContact CD1-CB 4.14Å |
| 373 | G | 98.4 | Very high | 98.8 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -168.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S56 D375 G376 | S56-G373 CarbonylContact O-C 3.58Å; G373-D375 PolarHBondContact O-N 3.18Å; G373-G376 PolarHBondContact N-O 3.07Å; G373-G376 PolarHBondContact O-N 3.49Å |
| 374 | L | 98.8 | Very high | 98.8 | Very high | 44 Ų | 44 | 10 Ų | 10 | 23% | 0.23 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -27.8 | -177.1 | -55.6 | -177.3 | 0 | 0 | 0 | 113.8 | P13 Y14 K15 T16 R130 | P13-L374 HydrophobicContact CB-CB 4.4Å; P13-L374 HydrophobicContact CG-CD1 4.38Å; Y14-L374 CarbonylContact O-C 3.58Å; K15-L374 WeakPolarHBondContact CA-O 3.36Å; T16-L374 PolarHBondContact N-O 3.47Å; R130-L374 PolarHBondContact NH2-O 3.14Å |
| 375 | D | 98.7 | Very high | 98.8 | Very high | 6 Ų | 6 | 7.4 Ų | 7.4 | 3% | 0.032 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -2.2 | -173.9 | 47.2 | 4.4 | 0 | 0 | 0 | 113.7 | P13 Y14 Y131 S134 G373 K378 | P13-D375 VanDerWaalsContact CB-OD2 3.32Å; P13-D375 WeakPolarHBondContact CB-OD2 3.33Å; Y14-D375 WeakPolarHBondContact O-CB 3.31Å; Y131-D375 VanDerWaalsContact CA-O 3.25Å; Y131-D375 WeakPolarHBondContact CA-O 3.47Å; Y131-D375 HydrophobicContact CD2-CB 4.49Å; Y131-D375 PolarHBondContact N-O 3.14Å; S134-D375 WeakPolarHBondContact CB-O 3.48Å; S134-D375 PolarHBondContact OG-O 3Å; G373-D375 PolarHBondContact O-N 3.18Å; D375-K378 WeakPolarHBondContact OD1-CE 3.47Å; D375-K378 IonicContact OD1-NZ 2.76Å; D375-K378 PolarHBondContact OD1-NZ 2.84Å; D375-K378 IonicContact OD2-NZ 3.69Å; D375-K378 PolarHBondContact OD2-NZ 2.67Å |
| 376 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 126 | -168.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G373 | G373-G376 PolarHBondContact N-O 3.07Å; G373-G376 PolarHBondContact O-N 3.49Å |
| 377 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 118.8 | -178.1 | -177.8 | 172.3 | -76.8 | 0 | 0 | 111.4 | W25 W124 E127 M128 Y131 L370 W371 L372 | W25-M377 HydrophobicContact CH2-CE 3.45Å; W25-M377 VanDerWaalsContact CH2-CE 3.45Å; W25-M377 HydrophobicContact CZ3-CE 3.58Å; W124-M377 HydrophobicContact CB-CE 4.29Å; W124-M377 HydrophobicContact CB-SD 3.73Å; W124-M377 HydrophobicContact CD2-CE 4.08Å; W124-M377 HydrophobicContact CD2-SD 4.02Å; W124-M377 HydrophobicContact CE3-SD 4.27Å; W124-M377 HydrophobicContact CG-CE 3.87Å; W124-M377 HydrophobicContact CG-SD 3.83Å; E127-M377 HydrophobicContact CB-CB 3.64Å; E127-M377 PolarHBondContact O-N 2.78Å; M128-M377 HydrophobicContact CE-CG 4.31Å; M128-M377 HydrophobicContact CE-SD 3.72Å; M128-M377 HydrophobicContact CG-CB 4.13Å; M128-M377 HydrophobicContact CG-CG 4.11Å; M128-M377 HydrophobicContact CG-SD 4.29Å; Y131-M377 VanDerWaalsContact CB-O 3.29Å; Y131-M377 WeakPolarHBondContact CB-O 3.46Å; L370-M377 HydrophobicContact CB-CG 4.27Å; L370-M377 HydrophobicContact CB-SD 4.1Å; L370-M377 HydrophobicContact CD1-SD 4.14Å; W371-M377 CarbonylContact O-C 3.56Å; W371-M377 VanDerWaalsContact O-CA 3.31Å; W371-M377 WeakPolarHBondContact O-CA 3.41Å; L372-M377 HydrophobicContact CD1-CB 4.14Å |
| 378 | K | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 5.6 Ų | 5.6 | 1% | 0.013 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 167.6 | 178.7 | 69.4 | -166.3 | 69.5 | 173.8 | 0 | 111.9 | D98 Y131 L370 W371 D375 | D98-K378 WeakPolarHBondContact OD1-CD 3.43Å; D98-K378 IonicContact OD1-NZ 2.99Å; D98-K378 WeakPolarHBondContact OD2-CD 3.49Å; D98-K378 VanDerWaalsContact OD2-CE 3.24Å; D98-K378 WeakPolarHBondContact OD2-CE 3.17Å; D98-K378 IonicContact OD2-NZ 3.75Å; D98-K378 PolarHBondContact OD2-NZ 2.78Å; Y131-K378 HydrophobicContact CD1-CB 3.8Å; Y131-K378 HydrophobicContact CD2-CB 3.92Å; Y131-K378 HydrophobicContact CE1-CB 3.57Å; Y131-K378 HydrophobicContact CE2-CB 3.72Å; Y131-K378 HydrophobicContact CE2-CD 4.07Å; Y131-K378 VanDerWaalsContact CE2-CE 3.5Å; Y131-K378 HydrophobicContact CG-CB 3.96Å; L370-K378 WeakPolarHBondContact CA-O 3.43Å; W371-K378 PolarHBondContact N-O 2.73Å; W371-K378 PolarHBondContact O-N 3.16Å; D375-K378 WeakPolarHBondContact OD1-CE 3.47Å; D375-K378 IonicContact OD1-NZ 2.76Å; D375-K378 PolarHBondContact OD1-NZ 2.84Å; D375-K378 IonicContact OD2-NZ 3.69Å; D375-K378 PolarHBondContact OD2-NZ 2.67Å |
| 379 | M | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 5.5 Ų | 5.5 | 3% | 0.03 | 3% | 0.032 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.7 | 171.9 | -163.6 | 177.1 | -169.4 | 0 | 0 | 110.1 | L105 L106 L109 P338 Y369 L370 | L105-M379 HydrophobicContact CB-CB 3.97Å; L105-M379 HydrophobicContact CB-CG 4.15Å; L105-M379 HydrophobicContact CB-SD 3.89Å; L106-M379 HydrophobicContact CB-CB 4.18Å; L106-M379 HydrophobicContact CD1-CB 4.37Å; L109-M379 HydrophobicContact CB-CE 4.25Å; L109-M379 HydrophobicContact CB-SD 3.88Å; L109-M379 HydrophobicContact CD2-CE 4.29Å; L109-M379 HydrophobicContact CD2-SD 4.14Å; P338-M379 HydrophobicContact CB-CE 3.5Å; P338-M379 VanDerWaalsContact CB-CE 3.5Å; P338-M379 HydrophobicContact CB-CG 4.38Å; P338-M379 HydrophobicContact CB-SD 4.08Å; Y369-M379 HydrophobicContact CD1-CE 4.45Å; Y369-M379 HydrophobicContact CG-CE 4.17Å; Y369-M379 CarbonylContact O-C 3.57Å; Y369-M379 VanDerWaalsContact O-CA 3.26Å; Y369-M379 WeakPolarHBondContact O-CA 3.07Å; L370-M379 HydrophobicContact CD2-CB 4.25Å; L370-M379 HydrophobicContact CD2-CG 4.39Å |
| 380 | Q | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 5.4 Ų | 5.4 | 1% | 0.014 | 3% | 0.032 | C | C | . | . | trans | -73 | 149.1 | -179.3 | -58.3 | -77.6 | 73.8 | 0 | 0 | 110.9 | G97 Y99 P338 Y369 W371 T382 | G97-Q380 PolarHBondContact O-NE2 2.97Å; Y99-Q380 VanDerWaalsContact C-OE1 3.28Å; P338-Q380 WeakPolarHBondContact CG-O 3.31Å; Y369-Q380 PolarHBondContact O-N 3.12Å; W371-Q380 HydrophobicContact CB-CG 3.71Å; Q380-T382 VanDerWaalsContact C-N 3.26Å; Q380-T382 CarbonylContact C-O 3.31Å; Q380-T382 WeakPolarHBondContact CB-O 3.36Å; Q380-T382 PolarHBondContact O-N 3.38Å | ||
| 381 | G | 98.4 | Very high | 98.8 | Very high | 15 Ų | 15 | 5.2 Ų | 5.2 | 16% | 0.155 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -71.5 | -14.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y99 P338 | Y99-G381 PolarHBondContact O-N 3.02Å; P338-G381 WeakPolarHBondContact CD-O 3.37Å |
| 382 | T | 98.8 | Very high | 98.8 | Very high | 11 Ų | 11 | 5.1 Ų | 5.1 | 7% | 0.067 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -144.3 | -176.9 | 167.1 | 50.8 | 0 | 0 | 0 | 0 | 106.4 | Y99 Y369 Q380 G384 F445 | Y99-T382 VanDerWaalsContact CD1-OG1 3.22Å; Y99-T382 WeakPolarHBondContact CD1-OG1 3.2Å; Y99-T382 HydrophobicContact CE1-CG2 4.07Å; Y99-T382 WeakPolarHBondContact CE1-OG1 3.28Å; Y369-T382 WeakPolarHBondContact CD1-O 3.35Å; Q380-T382 VanDerWaalsContact C-N 3.26Å; Q380-T382 CarbonylContact C-O 3.31Å; Q380-T382 WeakPolarHBondContact CB-O 3.36Å; Q380-T382 PolarHBondContact O-N 3.38Å; T382-G384 PolarHBondContact O-N 3.43Å; T382-G384 PolarHBondContact OG1-N 2.88Å; T382-G384 PolarHBondContact OG1-O 3.42Å; T382-F445 HydrophobicContact CG2-CD1 4.16Å; T382-F445 HydrophobicContact CG2-CE1 4.45Å |
| 383 | N | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 5.1 Ų | 5.1 | 2% | 0.016 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -72.5 | 24.5 | 170.6 | 71.5 | -62.5 | 0 | 0 | 0 | 113.5 | I334 D368 Y369 Q386 S446 T447 | I334-N383 HydrophobicContact CG2-CB 3.94Å; D368-N383 HydrophobicContact CB-CB 4.37Å; D368-N383 WeakPolarHBondContact O-CA 3.45Å; Y369-N383 HydrophobicContact CE1-CB 4.15Å; Y369-N383 VanDerWaalsContact CE1-N 3.26Å; Y369-N383 HydrophobicContact CE2-CB 4.18Å; N383-Q386 PolarHBondContact O-NE2 2.8Å; N383-S446 WeakPolarHBondContact OD1-CB 3.41Å; N383-S446 PolarHBondContact OD1-OG 2.96Å; N383-T447 PolarHBondContact ND2-OG1 3.08Å |
| 384 | G | 98.6 | Very high | 98.8 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.03 | C | C | . | . | trans | 119 | 174 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | T382 Q386 F445 S446 | T382-G384 PolarHBondContact O-N 3.43Å; T382-G384 PolarHBondContact OG1-N 2.88Å; T382-G384 PolarHBondContact OG1-O 3.42Å; G384-Q386 PolarHBondContact O-OE1 3.15Å; G384-F445 WeakPolarHBondContact O-CD1 3.44Å; G384-F445 WeakPolarHBondContact O-CE1 3.39Å; G384-S446 WeakPolarHBondContact O-CB 3.07Å | ||
| 385 | S | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 3.3 Ų | 3.3 | 1% | 0.014 | 2% | 0.021 | C | C | . | . | trans | -113.4 | 30.6 | 178.1 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | L387 W388 D389 F445 | S385-L387 PolarHBondContact O-N 3.34Å; S385-W388 PolarHBondContact O-N 2.97Å; S385-D389 WeakPolarHBondContact CB-OD2 3.42Å; S385-D389 WeakPolarHBondContact O-CB 3.31Å; S385-D389 PolarHBondContact O-N 3.42Å; S385-D389 PolarHBondContact OG-OD2 3.2Å; S385-F445 VanDerWaalsContact CA-CE1 3.47Å | ||
| 386 | Q | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -60.6 | -52.9 | -162.7 | -58.8 | 91.3 | -32.3 | 0 | 0 | 113.8 | G32 Q34 H94 N383 G384 T390 F418 S446 T447 | G32-Q386 WeakPolarHBondContact O-CG 3.46Å; G32-Q386 PolarHBondContact O-NE2 3.42Å; Q34-Q386 VanDerWaalsContact NE2-CG 3.3Å; H94-Q386 HydrophobicContact CB-CB 4.49Å; H94-Q386 WeakPolarHBondContact CD2-CG 2.99Å; N383-Q386 PolarHBondContact O-NE2 2.8Å; G384-Q386 PolarHBondContact O-OE1 3.15Å; Q386-T390 VanDerWaalsContact O-CB 3.25Å; Q386-T390 WeakPolarHBondContact O-CB 3.16Å; Q386-T390 PolarHBondContact O-N 2.82Å; Q386-T390 VanDerWaalsContact O-N 3.11Å; Q386-T390 PolarHBondContact O-OG1 2.83Å; Q386-F418 HydrophobicContact CB-CE1 4.39Å; Q386-F418 HydrophobicContact CB-CZ 3.78Å; Q386-S446 VanDerWaalsContact OE1-CA 3.23Å; Q386-S446 VanDerWaalsContact OE1-CB 3.24Å; Q386-T447 HydrophobicContact CB-CG2 4.44Å; Q386-T447 VanDerWaalsContact CD-CG2 3.45Å; Q386-T447 HydrophobicContact CG-CG2 4.12Å; Q386-T447 VanDerWaalsContact NE2-CG2 3.27Å |
| 387 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -63.8 | -48.6 | 177.7 | -175.4 | 110.4 | 0 | 0 | 0 | 110.6 | S385 D389 T390 C391 L419 T422 F443 P444 F445 S446 C457 | S385-L387 PolarHBondContact O-N 3.34Å; L387-D389 PolarHBondContact O-N 3.23Å; L387-T390 PolarHBondContact O-N 3.47Å; L387-C391 WeakPolarHBondContact O-CB 3.32Å; L387-C391 PolarHBondContact O-N 2.86Å; L387-C391 PolarHBondContact O-SG 3.21Å; L387-L419 HydrophobicContact CD1-CD2 3.89Å; L387-L419 HydrophobicContact CG-CD2 4.4Å; L387-T422 HydrophobicContact CB-CG2 4.31Å; L387-T422 HydrophobicContact CD1-CG2 3.41Å; L387-T422 VanDerWaalsContact CD1-CG2 3.41Å; L387-T422 HydrophobicContact CG-CG2 4.47Å; L387-F443 HydrophobicContact CD1-CB 3.85Å; L387-F443 HydrophobicContact CD1-CD1 3.34Å; L387-F443 HydrophobicContact CD1-CE1 4.16Å; L387-F443 HydrophobicContact CD1-CG 3.99Å; L387-F443 HydrophobicContact CD2-CB 3.61Å; L387-F443 HydrophobicContact CD2-CG 4.41Å; L387-F443 HydrophobicContact CG-CB 4.37Å; L387-P444 WeakPolarHBondContact CB-O 3.27Å; L387-P444 WeakPolarHBondContact CD2-O 3.48Å; L387-F445 PolarHBondContact N-O 3.15Å; L387-S446 WeakPolarHBondContact CB-O 3.36Å; L387-S446 PolarHBondContact N-O 2.81Å; L387-S446 VanDerWaalsContact N-O 3.12Å; L387-C457 HydrophobicContact CD2-CB 3.83Å; L387-C457 WeakPolarHBondContact CD2-O 3.42Å |
| 388 | W | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 3.3 Ų | 3.3 | 3% | 0.03 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -53.9 | -54.1 | -177.8 | -177.8 | -101.8 | 0 | 0 | 0 | 112.4 | S385 T390 C391 F392 F445 D456 Y705 Y708 | S385-W388 PolarHBondContact O-N 2.97Å; W388-T390 VanDerWaalsContact C-N 3.34Å; W388-T390 PolarHBondContact O-N 3.07Å; W388-C391 PolarHBondContact O-N 2.84Å; W388-F392 HydrophobicContact CD2-CD2 4.49Å; W388-F392 HydrophobicContact CD2-CE2 4.12Å; W388-F392 AromaticContact CE2-CD2 3.93Å; W388-F392 AromaticContact CE2-CE2 3.32Å; W388-F392 AromaticContact CH2-CE2 3.84Å; W388-F392 HydrophobicContact CH2-CE2 3.84Å; W388-F392 AromaticContact CH2-CZ 3.68Å; W388-F392 HydrophobicContact CH2-CZ 3.68Å; W388-F392 HydrophobicContact CZ2-CD2 4.23Å; W388-F392 AromaticContact CZ2-CE2 3.19Å; W388-F392 HydrophobicContact CZ2-CE2 3.19Å; W388-F392 AromaticContact CZ2-CZ 3.54Å; W388-F392 HydrophobicContact CZ2-CZ 3.54Å; W388-F392 HydrophobicContact CZ3-CZ 4.3Å; W388-F392 AromaticContact NE1-CD2 3.84Å; W388-F392 AromaticContact NE1-CE2 3.6Å; W388-F392 PolarHBondContact O-N 3.02Å; W388-F445 HydrophobicContact CB-CD2 3.67Å; W388-F445 HydrophobicContact CB-CE2 3.44Å; W388-F445 VanDerWaalsContact CB-CE2 3.44Å; W388-F445 HydrophobicContact CB-CG 4.45Å; W388-F445 HydrophobicContact CB-CZ 4.06Å; W388-F445 AromaticContact CD1-CE2 3.82Å; W388-F445 HydrophobicContact CD2-CD2 4.15Å; W388-F445 AromaticContact CD2-CE2 3.79Å; W388-F445 HydrophobicContact CD2-CE2 3.79Å; W388-F445 HydrophobicContact CE3-CD2 4.26Å; W388-F445 HydrophobicContact CE3-CE2 4.34Å; W388-F445 AromaticContact CG-CD2 3.93Å; W388-F445 HydrophobicContact CG-CD2 3.93Å; W388-F445 AromaticContact CG-CE2 3.38Å; W388-F445 HydrophobicContact CG-CE2 3.38Å; W388-F445 HydrophobicContact CG-CZ 4.16Å; W388-F445 PolarHBondContact N-O 3.17Å; W388-D456 HydrophobicContact CZ3-CB 4.16Å; W388-Y705 AromaticContact CD1-CD1 3.91Å; W388-Y705 AromaticContact CD1-CE1 3.52Å; W388-Y705 HydrophobicContact CG-CE1 4.44Å; W388-Y705 AromaticContact NE1-CD1 3.85Å; W388-Y705 AromaticContact NE1-CE1 3.39Å; W388-Y708 AromaticContact NE1-CE1 3.62Å; W388-Y708 AromaticContact NE1-CZ 3.66Å; W388-Y708 PolarHBondContact NE1-OH 3.15Å |
| 389 | D | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 5.1 Ų | 5.1 | 1% | 0.011 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -65.1 | -39.1 | -179.1 | -70.8 | -26 | 0 | 0 | 0 | 111.6 | S385 L387 A393 S707 | S385-D389 WeakPolarHBondContact CB-OD2 3.42Å; S385-D389 WeakPolarHBondContact O-CB 3.31Å; S385-D389 PolarHBondContact O-N 3.42Å; S385-D389 PolarHBondContact OG-OD2 3.2Å; L387-D389 PolarHBondContact O-N 3.23Å; D389-A393 WeakPolarHBondContact O-CB 3.35Å; D389-A393 PolarHBondContact O-N 3.24Å; D389-S707 PolarHBondContact OD2-OG 3.41Å |
| 390 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -67.8 | -39.2 | 179 | -54.5 | 0 | 0 | 0 | 0 | 112 | H94 W95 Q386 L387 W388 A393 V394 A415 F418 L419 | H94-T390 WeakPolarHBondContact CA-OG1 3.07Å; H94-T390 WeakPolarHBondContact CB-OG1 2.97Å; W95-T390 HydrophobicContact CE3-CG2 4.11Å; W95-T390 HydrophobicContact CZ3-CG2 4.08Å; W95-T390 PolarHBondContact N-OG1 2.91Å; Q386-T390 VanDerWaalsContact O-CB 3.25Å; Q386-T390 WeakPolarHBondContact O-CB 3.16Å; Q386-T390 PolarHBondContact O-N 2.82Å; Q386-T390 VanDerWaalsContact O-N 3.11Å; Q386-T390 PolarHBondContact O-OG1 2.83Å; L387-T390 PolarHBondContact O-N 3.47Å; W388-T390 VanDerWaalsContact C-N 3.34Å; W388-T390 PolarHBondContact O-N 3.07Å; T390-A393 PolarHBondContact O-N 2.87Å; T390-V394 WeakPolarHBondContact O-CB 3.27Å; T390-V394 VanDerWaalsContact O-CG2 3.27Å; T390-V394 WeakPolarHBondContact O-CG2 3.44Å; T390-V394 PolarHBondContact O-N 3.31Å; T390-A415 HydrophobicContact CG2-CB 4.11Å; T390-F418 HydrophobicContact CG2-CD1 3.83Å; T390-F418 HydrophobicContact CG2-CE1 4.41Å; T390-L419 HydrophobicContact CG2-CD2 4.41Å |
| 391 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -61.8 | -47.7 | 177.6 | -68.3 | 0 | 0 | 0 | 0 | 111.2 | L387 W388 V394 Q395 E460 G461 S464 | L387-C391 WeakPolarHBondContact O-CB 3.32Å; L387-C391 PolarHBondContact O-N 2.86Å; L387-C391 PolarHBondContact O-SG 3.21Å; W388-C391 PolarHBondContact O-N 2.84Å; C391-V394 PolarHBondContact O-N 2.95Å; C391-Q395 WeakPolarHBondContact O-CG 3.46Å; C391-Q395 PolarHBondContact O-N 3.04Å; C391-Q395 VanDerWaalsContact O-N 3.16Å; C391-E460 HydrophobicContact CB-CB 3.98Å; C391-G461 WeakPolarHBondContact SG-CA 3.48Å; C391-S464 WeakPolarHBondContact CA-OG 3.35Å; C391-S464 PolarHBondContact O-OG 3.23Å |
| 392 | F | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 5.6 Ų | 5.6 | 1% | 0.013 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -72 | -36.2 | 178.6 | -72.3 | -26.8 | 0 | 0 | 0 | 113.1 | W388 V394 Q395 A396 E460 F592 Y708 V711 F712 W715 | W388-F392 HydrophobicContact CD2-CD2 4.49Å; W388-F392 HydrophobicContact CD2-CE2 4.12Å; W388-F392 AromaticContact CE2-CD2 3.93Å; W388-F392 AromaticContact CE2-CE2 3.32Å; W388-F392 AromaticContact CH2-CE2 3.84Å; W388-F392 HydrophobicContact CH2-CE2 3.84Å; W388-F392 AromaticContact CH2-CZ 3.68Å; W388-F392 HydrophobicContact CH2-CZ 3.68Å; W388-F392 HydrophobicContact CZ2-CD2 4.23Å; W388-F392 AromaticContact CZ2-CE2 3.19Å; W388-F392 HydrophobicContact CZ2-CE2 3.19Å; W388-F392 AromaticContact CZ2-CZ 3.54Å; W388-F392 HydrophobicContact CZ2-CZ 3.54Å; W388-F392 HydrophobicContact CZ3-CZ 4.3Å; W388-F392 AromaticContact NE1-CD2 3.84Å; W388-F392 AromaticContact NE1-CE2 3.6Å; W388-F392 PolarHBondContact O-N 3.02Å; F392-V394 VanDerWaalsContact C-N 3.32Å; F392-V394 PolarHBondContact O-N 3.27Å; F392-Q395 PolarHBondContact O-N 2.93Å; F392-A396 VanDerWaalsContact O-CB 3.3Å; F392-A396 WeakPolarHBondContact O-CB 3.32Å; F392-A396 PolarHBondContact O-N 3Å; F392-E460 HydrophobicContact CE1-CG 3.84Å; F392-E460 HydrophobicContact CZ-CG 4.43Å; F392-F592 HydrophobicContact CZ-CZ 4.47Å; F392-Y708 HydrophobicContact CD2-CE1 4.34Å; F392-V711 HydrophobicContact CB-CG1 3.69Å; F392-F712 HydrophobicContact CD2-CZ 4.35Å; F392-F712 HydrophobicContact CE2-CZ 4.27Å; F392-W715 HydrophobicContact CB-CZ3 3.99Å; F392-W715 AromaticContact CD1-CH2 3.83Å; F392-W715 HydrophobicContact CD1-CH2 3.83Å; F392-W715 AromaticContact CD1-CZ3 3.53Å; F392-W715 HydrophobicContact CD1-CZ3 3.53Å; F392-W715 HydrophobicContact CE1-CH2 4.21Å; F392-W715 HydrophobicContact CE1-CZ3 4.14Å; F392-W715 AromaticContact CG-CZ3 3.92Å; F392-W715 HydrophobicContact CG-CZ3 3.92Å |
| 393 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y85 W95 D389 T390 Q395 A396 F397 V711 | Y85-A393 HydrophobicContact CE1-CB 4Å; W95-A393 HydrophobicContact CD2-CB 4.19Å; W95-A393 HydrophobicContact CE3-CB 3.98Å; W95-A393 HydrophobicContact CH2-CB 4.38Å; W95-A393 HydrophobicContact CZ3-CB 4.09Å; D389-A393 WeakPolarHBondContact O-CB 3.35Å; D389-A393 PolarHBondContact O-N 3.24Å; T390-A393 PolarHBondContact O-N 2.87Å; A393-Q395 PolarHBondContact O-N 3.07Å; A393-A396 PolarHBondContact O-N 3.41Å; A393-F397 VanDerWaalsContact O-CB 3.31Å; A393-F397 WeakPolarHBondContact O-CB 3.41Å; A393-F397 WeakPolarHBondContact O-CD1 3.44Å; A393-F397 WeakPolarHBondContact O-CG 3.17Å; A393-F397 PolarHBondContact O-N 3.49Å; A393-V711 HydrophobicContact CB-CG2 4.14Å |
| 394 | V | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.4 | -49.7 | 174.9 | 163.6 | 0 | 0 | 0 | 0 | 111.3 | T390 C391 F392 F397 L398 A415 L468 | T390-V394 WeakPolarHBondContact O-CB 3.27Å; T390-V394 VanDerWaalsContact O-CG2 3.27Å; T390-V394 WeakPolarHBondContact O-CG2 3.44Å; T390-V394 PolarHBondContact O-N 3.31Å; C391-V394 PolarHBondContact O-N 2.95Å; F392-V394 VanDerWaalsContact C-N 3.32Å; F392-V394 PolarHBondContact O-N 3.27Å; V394-F397 PolarHBondContact O-N 3.28Å; V394-L398 HydrophobicContact CG1-CD1 3.86Å; V394-L398 HydrophobicContact CG1-CG 4.39Å; V394-L398 WeakPolarHBondContact O-CB 3.48Å; V394-L398 VanDerWaalsContact O-CG 3.28Å; V394-L398 WeakPolarHBondContact O-CG 3.47Å; V394-L398 PolarHBondContact O-N 2.91Å; V394-A415 HydrophobicContact CG2-CB 3.7Å; V394-L468 HydrophobicContact CB-CD1 4.4Å; V394-L468 HydrophobicContact CG1-CD1 3.56Å; V394-L468 HydrophobicContact CG1-CD2 3.96Å; V394-L468 HydrophobicContact CG1-CG 3.52Å; V394-L468 HydrophobicContact CG2-CD1 3.92Å |
| 395 | Q | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 14.3 Ų | 14.3 | 3% | 0.033 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | -178.9 | -71.2 | 174.2 | 54.6 | 0 | 0 | 112.4 | C391 F392 A393 L398 E399 E460 K463 S464 L467 W715 | C391-Q395 WeakPolarHBondContact O-CG 3.46Å; C391-Q395 PolarHBondContact O-N 3.04Å; C391-Q395 VanDerWaalsContact O-N 3.16Å; F392-Q395 PolarHBondContact O-N 2.93Å; A393-Q395 PolarHBondContact O-N 3.07Å; Q395-L398 PolarHBondContact O-N 3.15Å; Q395-E399 WeakPolarHBondContact O-CB 3.43Å; Q395-E399 PolarHBondContact O-N 2.87Å; Q395-E460 PolarHBondContact NE2-OE2 2.85Å; Q395-E460 PolarHBondContact OE1-OE2 2.9Å; Q395-K463 VanDerWaalsContact OE1-NZ 3.15Å; Q395-S464 WeakPolarHBondContact CG-OG 3.46Å; Q395-S464 PolarHBondContact NE2-OG 3.5Å; Q395-L467 HydrophobicContact CG-CD1 4.04Å; Q395-W715 HydrophobicContact CB-CH2 3.69Å; Q395-W715 HydrophobicContact CB-CZ2 3.7Å; Q395-W715 HydrophobicContact CB-CZ3 4.2Å; Q395-W715 HydrophobicContact CG-CH2 4.41Å |
| 396 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F392 A393 E399 A400 V711 I714 W715 | F392-A396 VanDerWaalsContact O-CB 3.3Å; F392-A396 WeakPolarHBondContact O-CB 3.32Å; F392-A396 PolarHBondContact O-N 3Å; A393-A396 PolarHBondContact O-N 3.41Å; A396-E399 PolarHBondContact O-N 2.88Å; A396-A400 WeakPolarHBondContact O-CB 3.1Å; A396-A400 PolarHBondContact O-N 2.86Å; A396-V711 HydrophobicContact CB-CG1 3.93Å; A396-V711 WeakPolarHBondContact CB-O 3.49Å; A396-I714 HydrophobicContact CB-CB 4.42Å; A396-I714 HydrophobicContact CB-CG2 4.16Å; A396-W715 HydrophobicContact CB-CB 3.65Å; A396-W715 HydrophobicContact CB-CD2 4.21Å; A396-W715 HydrophobicContact CB-CE3 4.2Å; A396-W715 HydrophobicContact CB-CG 4.03Å |
| 397 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.1 | -45.5 | 178.6 | -85.9 | 41.8 | 0 | 0 | 0 | 111 | M82 Y85 R86 W95 A393 V394 E399 A400 G401 A402 L412 I714 | M82-F397 HydrophobicContact CB-CE1 4.45Å; M82-F397 HydrophobicContact CB-CE2 4.38Å; M82-F397 HydrophobicContact CB-CZ 4.21Å; M82-F397 HydrophobicContact CG-CD1 4.07Å; M82-F397 HydrophobicContact CG-CD2 4.49Å; M82-F397 HydrophobicContact CG-CE1 4.03Å; M82-F397 HydrophobicContact CG-CE2 4.47Å; M82-F397 HydrophobicContact CG-CG 4.3Å; M82-F397 HydrophobicContact CG-CZ 4.25Å; M82-F397 HydrophobicContact SD-CG 4.31Å; Y85-F397 AromaticContact CD1-CE1 3.87Å; Y85-F397 HydrophobicContact CD1-CE1 3.87Å; Y85-F397 HydrophobicContact CD1-CZ 4.09Å; R86-F397 HydrophobicContact CB-CE2 4.24Å; R86-F397 HydrophobicContact CB-CZ 4.45Å; W95-F397 HydrophobicContact CZ2-CE2 4.46Å; W95-F397 HydrophobicContact CZ2-CZ 4.33Å; A393-F397 VanDerWaalsContact O-CB 3.31Å; A393-F397 WeakPolarHBondContact O-CB 3.41Å; A393-F397 WeakPolarHBondContact O-CD1 3.44Å; A393-F397 WeakPolarHBondContact O-CG 3.17Å; A393-F397 PolarHBondContact O-N 3.49Å; V394-F397 PolarHBondContact O-N 3.28Å; F397-E399 VanDerWaalsContact C-N 3.32Å; F397-E399 PolarHBondContact O-N 3.48Å; F397-A400 CarbonylContact O-C 3.53Å; F397-A400 PolarHBondContact O-N 3.31Å; F397-A400 VanDerWaalsContact O-N 3.16Å; F397-G401 PolarHBondContact O-N 3.03Å; F397-A402 HydrophobicContact CB-CB 3.71Å; F397-A402 HydrophobicContact CD2-CB 4.07Å; F397-A402 HydrophobicContact CG-CB 4.26Å; F397-A402 VanDerWaalsContact O-CB 3.22Å; F397-A402 WeakPolarHBondContact O-CB 3.29Å; F397-A402 PolarHBondContact O-N 3.28Å; F397-L412 HydrophobicContact CB-CD2 4.07Å; F397-L412 HydrophobicContact CD2-CD2 4.25Å; F397-I714 HydrophobicContact CD1-CG2 4.23Å; F397-I714 HydrophobicContact CE1-CD1 3.91Å |
| 398 | L | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.5 | -30.4 | 176.7 | -68.9 | 179.2 | 0 | 0 | 0 | 112.3 | V394 Q395 Q403 L412 L467 L468 F471 R722 | V394-L398 HydrophobicContact CG1-CD1 3.86Å; V394-L398 HydrophobicContact CG1-CG 4.39Å; V394-L398 WeakPolarHBondContact O-CB 3.48Å; V394-L398 VanDerWaalsContact O-CG 3.28Å; V394-L398 WeakPolarHBondContact O-CG 3.47Å; V394-L398 PolarHBondContact O-N 2.91Å; Q395-L398 PolarHBondContact O-N 3.15Å; L398-Q403 HydrophobicContact CD2-CB 4.06Å; L398-Q403 PolarHBondContact O-OE1 2.68Å; L398-L412 HydrophobicContact CD2-CD1 4.16Å; L398-L467 HydrophobicContact CD1-CB 3.6Å; L398-L468 HydrophobicContact CD1-CD2 4.23Å; L398-L468 HydrophobicContact CD1-CG 4.19Å; L398-F471 HydrophobicContact CD2-CB 4.17Å; L398-R722 VanDerWaalsContact O-CZ 3.22Å; L398-R722 PolarHBondContact O-NH1 3.38Å; L398-R722 PolarHBondContact O-NH2 3.36Å |
| 399 | E | 98.2 | Very high | 97.8 | Very high | 40 Ų | 40 | 28.1 Ų | 28.1 | 19% | 0.187 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.6 | -28.1 | 170.4 | -83 | -148.2 | -142.3 | 0 | 0 | 113.2 | Q395 A396 F397 G401 W715 G718 R719 R722 | Q395-E399 WeakPolarHBondContact O-CB 3.43Å; Q395-E399 PolarHBondContact O-N 2.87Å; A396-E399 PolarHBondContact O-N 2.88Å; F397-E399 VanDerWaalsContact C-N 3.32Å; F397-E399 PolarHBondContact O-N 3.48Å; E399-G401 VanDerWaalsContact C-N 3.33Å; E399-W715 VanDerWaalsContact CD-CD1 3.42Å; E399-W715 PolarHBondContact OE1-NE1 3.11Å; E399-G718 CarbonylContact O-C 3.47Å; E399-R719 IonicContact OE1-CZ 3.61Å; E399-R719 IonicContact OE1-NE 3.99Å; E399-R719 PolarHBondContact OE1-NE 2.6Å; E399-R719 IonicContact OE1-NH2 3.54Å; E399-R719 PolarHBondContact OE1-NH2 3.26Å; E399-R719 WeakPolarHBondContact OE2-CB 3.41Å; E399-R719 WeakPolarHBondContact OE2-CG 3.38Å; E399-R719 IonicContact OE2-CZ 2.94Å; E399-R719 IonicContact OE2-NE 3.5Å; E399-R719 PolarHBondContact OE2-NE 2.99Å; E399-R719 IonicContact OE2-NH2 2.72Å; E399-R722 WeakPolarHBondContact O-CD 3.4Å; E399-R722 PolarHBondContact O-NE 2.99Å; E399-R722 PolarHBondContact O-NH2 3.31Å |
| 400 | A | 98.4 | Very high | 97.8 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 12% | 0.124 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 1.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A78 M82 A396 F397 I714 | A78-A400 HydrophobicContact CB-CB 4.38Å; M82-A400 HydrophobicContact CE-CB 3.74Å; M82-A400 HydrophobicContact CG-CB 4.41Å; M82-A400 HydrophobicContact SD-CB 3.54Å; M82-A400 VanDerWaalsContact SD-CB 3.54Å; A396-A400 WeakPolarHBondContact O-CB 3.1Å; A396-A400 PolarHBondContact O-N 2.86Å; F397-A400 CarbonylContact O-C 3.53Å; F397-A400 PolarHBondContact O-N 3.31Å; F397-A400 VanDerWaalsContact O-N 3.16Å; A400-I714 HydrophobicContact CB-CG2 3.78Å |
| 401 | G | 97.5 | Very high | 97.7 | Very high | 19 Ų | 19 | 30.2 Ų | 30.2 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | 22.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F397 E399 Q403 D404 | F397-G401 PolarHBondContact O-N 3.03Å; E399-G401 VanDerWaalsContact C-N 3.33Å; G401-Q403 PolarHBondContact O-N 2.92Å; G401-D404 PolarHBondContact O-N 2.77Å |
| 402 | A | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -58.4 | -28.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M82 F397 D404 D405 L408 L412 | M82-A402 HydrophobicContact SD-CB 3.82Å; F397-A402 HydrophobicContact CB-CB 3.71Å; F397-A402 HydrophobicContact CD2-CB 4.07Å; F397-A402 HydrophobicContact CG-CB 4.26Å; F397-A402 VanDerWaalsContact O-CB 3.22Å; F397-A402 WeakPolarHBondContact O-CB 3.29Å; F397-A402 PolarHBondContact O-N 3.28Å; A402-D404 PolarHBondContact O-N 2.92Å; A402-D405 PolarHBondContact O-N 3.42Å; A402-L408 HydrophobicContact CB-CB 4.16Å; A402-L408 HydrophobicContact CB-CD1 3.71Å; A402-L412 HydrophobicContact CB-CD1 4.09Å; A402-L412 HydrophobicContact CB-CD2 4.49Å |
| 403 | Q | 97.4 | Very high | 97.7 | Very high | 26 Ų | 26 | 31.9 Ų | 31.9 | 12% | 0.121 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -63 | -22 | 177.6 | 72.2 | -76.5 | -6.1 | 0 | 0 | 113.3 | L398 G401 L409 L412 F471 | L398-Q403 HydrophobicContact CD2-CB 4.06Å; L398-Q403 PolarHBondContact O-OE1 2.68Å; G401-Q403 PolarHBondContact O-N 2.92Å; Q403-L409 WeakPolarHBondContact O-CD2 3.35Å; Q403-L412 HydrophobicContact CB-CD1 4.43Å; Q403-F471 HydrophobicContact CB-CB 4.31Å; Q403-F471 HydrophobicContact CG-CB 4.15Å |
| 404 | D | 96 | Very high | 97.7 | Very high | 125 Ų | 125 | 35.4 Ų | 35.4 | 67% | 0.668 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -93.1 | -6.5 | -178.7 | -56.8 | -51.3 | 0 | 0 | 0 | 112.2 | G401 A402 P406 | G401-D404 PolarHBondContact O-N 2.77Å; A402-D404 PolarHBondContact O-N 2.92Å; D404-P406 WeakPolarHBondContact O-CD 3.27Å |
| 405 | D | 96 | Very high | 97.7 | Very high | 46 Ų | 46 | 35.4 Ų | 35.4 | 25% | 0.246 | 20% | 0.2 | C | C | . | . | trans | -101.5 | 110.3 | 175.4 | -173.4 | -16.5 | 0 | 0 | 0 | 110.8 | A402 K407 L408 L409 | A402-D405 PolarHBondContact O-N 3.42Å; D405-K407 PolarHBondContact O-N 3.12Å; D405-K407 VanDerWaalsContact OD1-CB 3.28Å; D405-K407 WeakPolarHBondContact OD1-CB 3.37Å; D405-K407 WeakPolarHBondContact OD1-CG 3.39Å; D405-K407 PolarHBondContact OD1-N 3.12Å; D405-L408 HydrophobicContact CB-CB 4.35Å; D405-L408 HydrophobicContact CB-CD1 4.02Å; D405-L408 HydrophobicContact CB-CG 4.08Å; D405-L408 PolarHBondContact O-N 3.23Å; D405-L409 PolarHBondContact O-N 2.98Å | ||
| 406 | P | 94.7 | Very high | 97.7 | Very high | 105 Ų | 105 | 35.1 Ų | 35.1 | 68% | 0.682 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -25.9 | 178.3 | -27.1 | 35.3 | 0 | 0 | 0 | 114.5 | D404 L408 | D404-P406 WeakPolarHBondContact O-CD 3.27Å; P406-L408 VanDerWaalsContact C-N 3.3Å; P406-L408 PolarHBondContact O-N 2.73Å |
| 407 | K | 95.8 | Very high | 97.7 | Very high | 148 Ų | 148 | 38 Ų | 38 | 64% | 0.643 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -25.7 | 178.9 | -60.3 | 176.4 | 180 | 171.8 | 0 | 112 | R86 D405 | R86-K407 VanDerWaalsContact NH1-C 3.31Å; R86-K407 PolarHBondContact NH1-O 3.37Å; D405-K407 PolarHBondContact O-N 3.12Å; D405-K407 VanDerWaalsContact OD1-CB 3.28Å; D405-K407 WeakPolarHBondContact OD1-CB 3.37Å; D405-K407 WeakPolarHBondContact OD1-CG 3.39Å; D405-K407 PolarHBondContact OD1-N 3.12Å |
| 408 | L | 97.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -14.7 | -175.9 | -61.3 | 179.7 | 0 | 0 | 0 | 112.9 | M82 R86 A402 D405 P406 G410 C411 L412 | M82-L408 HydrophobicContact CB-CD1 4.06Å; M82-L408 HydrophobicContact CE-CD1 4.19Å; M82-L408 HydrophobicContact SD-CD1 3.92Å; R86-L408 HydrophobicContact CB-CD2 4.36Å; R86-L408 HydrophobicContact CG-CD2 4.3Å; A402-L408 HydrophobicContact CB-CB 4.16Å; A402-L408 HydrophobicContact CB-CD1 3.71Å; D405-L408 HydrophobicContact CB-CB 4.35Å; D405-L408 HydrophobicContact CB-CD1 4.02Å; D405-L408 HydrophobicContact CB-CG 4.08Å; D405-L408 PolarHBondContact O-N 3.23Å; P406-L408 VanDerWaalsContact C-N 3.3Å; P406-L408 PolarHBondContact O-N 2.73Å; L408-G410 VanDerWaalsContact C-N 3.32Å; L408-G410 PolarHBondContact O-N 3.28Å; L408-C411 VanDerWaalsContact O-CB 3.31Å; L408-C411 WeakPolarHBondContact O-CB 3.05Å; L408-C411 PolarHBondContact O-N 3.31Å; L408-C411 VanDerWaalsContact O-N 3.09Å; L408-L412 PolarHBondContact O-N 3.17Å; L408-L412 VanDerWaalsContact O-N 3.16Å |
| 409 | L | 96.6 | Very high | 97.7 | Very high | 47 Ų | 47 | 37.8 Ų | 37.8 | 25% | 0.246 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.6 | -40.7 | -178.3 | -69.5 | 179.9 | 0 | 0 | 0 | 114 | Q403 D405 C411 L412 H413 | Q403-L409 WeakPolarHBondContact O-CD2 3.35Å; D405-L409 PolarHBondContact O-N 2.98Å; L409-C411 VanDerWaalsContact C-N 3.32Å; L409-C411 PolarHBondContact O-N 3.5Å; L409-L412 PolarHBondContact O-N 3.06Å; L409-H413 PolarHBondContact O-CD2 2.93Å; L409-H413 PolarHBondContact O-N 3.48Å |
| 410 | G | 97.6 | Very high | 97.7 | Very high | 36 Ų | 36 | 38.9 Ų | 38.9 | 37% | 0.371 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.2 | -43 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L408 L412 H413 D414 | L408-G410 VanDerWaalsContact C-N 3.32Å; L408-G410 PolarHBondContact O-N 3.28Å; G410-L412 VanDerWaalsContact C-N 3.34Å; G410-L412 PolarHBondContact O-N 2.95Å; G410-H413 PolarHBondContact O-N 2.9Å; G410-D414 VanDerWaalsContact O-CG 3.28Å; G410-D414 PolarHBondContact O-N 3.48Å |
| 411 | C | 98.1 | Very high | 97.6 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -41.6 | 176.4 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | R86 Q89 W95 L408 L409 A415 | R86-C411 HydrophobicContact CB-CB 4.45Å; Q89-C411 PolarHBondContact NE2-O 2.75Å; Q89-C411 VanDerWaalsContact OE1-CA 3.27Å; Q89-C411 PolarHBondContact OE1-SG 2.97Å; W95-C411 WeakPolarHBondContact CH2-SG 3.38Å; W95-C411 VanDerWaalsContact CZ2-SG 3.56Å; L408-C411 VanDerWaalsContact O-CB 3.31Å; L408-C411 WeakPolarHBondContact O-CB 3.05Å; L408-C411 PolarHBondContact O-N 3.31Å; L408-C411 VanDerWaalsContact O-N 3.09Å; L409-C411 VanDerWaalsContact C-N 3.32Å; L409-C411 PolarHBondContact O-N 3.5Å; C411-A415 WeakPolarHBondContact O-CB 3.49Å; C411-A415 PolarHBondContact O-N 2.95Å |
| 412 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.3 | -35.9 | 176 | -62.2 | 178.2 | 0 | 0 | 0 | 112.8 | F397 L398 A402 Q403 L408 L409 G410 H416 L468 | F397-L412 HydrophobicContact CB-CD2 4.07Å; F397-L412 HydrophobicContact CD2-CD2 4.25Å; L398-L412 HydrophobicContact CD2-CD1 4.16Å; A402-L412 HydrophobicContact CB-CD1 4.09Å; A402-L412 HydrophobicContact CB-CD2 4.49Å; Q403-L412 HydrophobicContact CB-CD1 4.43Å; L408-L412 PolarHBondContact O-N 3.17Å; L408-L412 VanDerWaalsContact O-N 3.16Å; L409-L412 PolarHBondContact O-N 3.06Å; G410-L412 VanDerWaalsContact C-N 3.34Å; G410-L412 PolarHBondContact O-N 2.95Å; L412-H416 WeakPolarHBondContact O-CB 3.44Å; L412-H416 PolarHBondContact O-N 3.45Å; L412-L468 HydrophobicContact CB-CD2 3.96Å; L412-L468 HydrophobicContact CD2-CD2 4.2Å |
| 413 | H | 98.5 | Very high | 97.7 | Very high | 37 Ų | 37 | 38.8 Ų | 38.8 | 17% | 0.171 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -46.2 | 174.9 | -70.3 | 177.2 | 0 | 0 | 0 | 111.6 | L409 G410 A415 H416 D417 S474 | L409-H413 PolarHBondContact O-CD2 2.93Å; L409-H413 PolarHBondContact O-N 3.48Å; G410-H413 PolarHBondContact O-N 2.9Å; H413-A415 VanDerWaalsContact C-N 3.33Å; H413-A415 PolarHBondContact O-N 3.38Å; H413-H416 WeakPolarHBondContact O-CB 3.14Å; H413-H416 PolarHBondContact O-N 3.19Å; H413-D417 PolarHBondContact O-N 2.82Å; H413-S474 PolarHBondContact CE1-O 3.02Å; H413-S474 PolarHBondContact CE1-OG 3.17Å; H413-S474 PolarHBondContact NE2-OG 2.8Å |
| 414 | D | 98.5 | Very high | 97.8 | Very high | 74 Ų | 74 | 38 Ų | 38 | 40% | 0.396 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 179.2 | -62.8 | -24.1 | 0 | 0 | 0 | 110.7 | G410 H416 D417 F418 | G410-D414 VanDerWaalsContact O-CG 3.28Å; G410-D414 PolarHBondContact O-N 3.48Å; D414-H416 PolarHBondContact O-N 3.34Å; D414-D417 PolarHBondContact O-N 3.02Å; D414-F418 PolarHBondContact O-N 3.31Å |
| 415 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G93 W95 T390 V394 C411 H413 D417 F418 L419 | G93-A415 WeakPolarHBondContact O-CA 3.35Å; W95-A415 HydrophobicContact CH2-CB 4.42Å; W95-A415 HydrophobicContact CZ3-CB 3.98Å; T390-A415 HydrophobicContact CG2-CB 4.11Å; V394-A415 HydrophobicContact CG2-CB 3.7Å; C411-A415 WeakPolarHBondContact O-CB 3.49Å; C411-A415 PolarHBondContact O-N 2.95Å; H413-A415 VanDerWaalsContact C-N 3.33Å; H413-A415 PolarHBondContact O-N 3.38Å; A415-D417 VanDerWaalsContact C-N 3.35Å; A415-F418 PolarHBondContact O-N 2.83Å; A415-L419 WeakPolarHBondContact O-CG 3.25Å; A415-L419 PolarHBondContact O-N 2.83Å |
| 416 | H | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.3 | -45 | 173.7 | 178.6 | -85.7 | 0 | 0 | 0 | 111.6 | L412 H413 D414 F418 L419 R420 L468 I475 Q477 | L412-H416 WeakPolarHBondContact O-CB 3.44Å; L412-H416 PolarHBondContact O-N 3.45Å; H413-H416 WeakPolarHBondContact O-CB 3.14Å; H413-H416 PolarHBondContact O-N 3.19Å; D414-H416 PolarHBondContact O-N 3.34Å; H416-F418 VanDerWaalsContact C-N 3.32Å; H416-F418 PolarHBondContact O-N 3.34Å; H416-L419 PolarHBondContact O-N 3.1Å; H416-R420 WeakPolarHBondContact O-CB 3.07Å; H416-R420 PolarHBondContact O-N 2.69Å; H416-L468 HydrophobicContact CB-CD1 3.95Å; H416-I475 HydrophobicContact CB-CD1 4.14Å; H416-Q477 PolarHBondContact CE1-O 3.16Å; H416-Q477 VanDerWaalsContact CE1-O 3.24Å |
| 417 | D | 98.5 | Very high | 98.2 | Very high | 60 Ų | 60 | 36.3 Ų | 36.3 | 32% | 0.321 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.6 | -39.5 | 178.7 | -86.9 | -30.4 | 0 | 0 | 0 | 112.1 | H413 D414 A415 R420 V421 | H413-D417 PolarHBondContact O-N 2.82Å; D414-D417 PolarHBondContact O-N 3.02Å; A415-D417 VanDerWaalsContact C-N 3.35Å; D417-R420 PolarHBondContact O-N 3.06Å; D417-R420 IonicContact OD1-CZ 3.74Å; D417-R420 IonicContact OD1-NE 3.76Å; D417-R420 PolarHBondContact OD1-NE 3.36Å; D417-R420 VanDerWaalsContact OD1-NE 3.08Å; D417-R420 IonicContact OD1-NH2 3.07Å; D417-R420 PolarHBondContact OD1-NH2 3.2Å; D417-V421 WeakPolarHBondContact O-CG2 3.48Å; D417-V421 PolarHBondContact O-N 3.13Å |
| 418 | F | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 171.9 | 176.6 | -106.1 | 0 | 0 | 0 | 112.5 | D92 H94 Q386 T390 D414 A415 H416 R420 V421 T422 | D92-F418 WeakPolarHBondContact O-CB 3.48Å; H94-F418 HydrophobicContact CB-CD1 3.64Å; H94-F418 HydrophobicContact CB-CD2 3.71Å; H94-F418 HydrophobicContact CB-CE1 3.59Å; H94-F418 HydrophobicContact CB-CE2 3.69Å; H94-F418 HydrophobicContact CB-CG 3.69Å; H94-F418 HydrophobicContact CB-CZ 3.62Å; Q386-F418 HydrophobicContact CB-CE1 4.39Å; Q386-F418 HydrophobicContact CB-CZ 3.78Å; T390-F418 HydrophobicContact CG2-CD1 3.83Å; T390-F418 HydrophobicContact CG2-CE1 4.41Å; D414-F418 PolarHBondContact O-N 3.31Å; A415-F418 PolarHBondContact O-N 2.83Å; H416-F418 VanDerWaalsContact C-N 3.32Å; H416-F418 PolarHBondContact O-N 3.34Å; F418-R420 VanDerWaalsContact C-N 3.32Å; F418-R420 PolarHBondContact O-N 3.42Å; F418-V421 PolarHBondContact O-N 2.89Å; F418-T422 WeakPolarHBondContact CE2-OG1 3.32Å; F418-T422 HydrophobicContact CZ-CG2 4.49Å; F418-T422 VanDerWaalsContact CZ-OG1 3.28Å; F418-T422 WeakPolarHBondContact CZ-OG1 3.28Å; F418-T422 WeakPolarHBondContact O-CB 3.45Å; F418-T422 PolarHBondContact O-N 3.45Å; F418-T422 PolarHBondContact O-OG1 3.15Å |
| 419 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 177.7 | -65.8 | 176.4 | 0 | 0 | 0 | 111 | L387 T390 A415 H416 V421 T422 Q423 F443 V465 L468 | L387-L419 HydrophobicContact CD1-CD2 3.89Å; L387-L419 HydrophobicContact CG-CD2 4.4Å; T390-L419 HydrophobicContact CG2-CD2 4.41Å; A415-L419 WeakPolarHBondContact O-CG 3.25Å; A415-L419 PolarHBondContact O-N 2.83Å; H416-L419 PolarHBondContact O-N 3.1Å; L419-V421 VanDerWaalsContact C-N 3.3Å; L419-V421 PolarHBondContact O-N 3.3Å; L419-T422 PolarHBondContact O-N 2.71Å; L419-T422 VanDerWaalsContact O-N 3.16Å; L419-Q423 PolarHBondContact O-N 3.47Å; L419-F443 WeakPolarHBondContact O-CE1 3.47Å; L419-V465 HydrophobicContact CB-CG2 3.87Å; L419-V465 HydrophobicContact CD1-CG2 4.04Å; L419-L468 HydrophobicContact CD1-CD1 4.11Å |
| 420 | R | 98.5 | Very high | 98.3 | Very high | 62 Ų | 62 | 38.6 Ų | 38.6 | 23% | 0.234 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59 | -40.1 | 176.4 | 179.3 | 179.8 | 61.7 | 69.6 | 4 | 112.9 | H416 D417 F418 Q477 I479 R483 | H416-R420 WeakPolarHBondContact O-CB 3.07Å; H416-R420 PolarHBondContact O-N 2.69Å; D417-R420 PolarHBondContact O-N 3.06Å; D417-R420 IonicContact OD1-CZ 3.74Å; D417-R420 IonicContact OD1-NE 3.76Å; D417-R420 PolarHBondContact OD1-NE 3.36Å; D417-R420 VanDerWaalsContact OD1-NE 3.08Å; D417-R420 IonicContact OD1-NH2 3.07Å; D417-R420 PolarHBondContact OD1-NH2 3.2Å; F418-R420 VanDerWaalsContact C-N 3.32Å; F418-R420 PolarHBondContact O-N 3.42Å; R420-Q477 WeakPolarHBondContact CD-O 3.47Å; R420-I479 HydrophobicContact CB-CD1 4.03Å; R420-I479 HydrophobicContact CB-CG1 4.06Å; R420-I479 HydrophobicContact CG-CD1 4.37Å; R420-I479 HydrophobicContact CG-CG1 4.03Å; R420-R483 PolarHBondContact O-NH2 2.9Å |
| 421 | V | 97.2 | Very high | 98.3 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.2 | -37.8 | 176.6 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | E31 D417 F418 L419 R448 | E31-V421 HydrophobicContact CB-CG1 4.01Å; E31-V421 HydrophobicContact CG-CG1 3.93Å; D417-V421 WeakPolarHBondContact O-CG2 3.48Å; D417-V421 PolarHBondContact O-N 3.13Å; F418-V421 PolarHBondContact O-N 2.89Å; L419-V421 VanDerWaalsContact C-N 3.3Å; L419-V421 PolarHBondContact O-N 3.3Å; V421-R448 VanDerWaalsContact O-CD 3.31Å; V421-R448 WeakPolarHBondContact O-CD 3.35Å; V421-R448 PolarHBondContact O-NH1 2.93Å |
| 422 | T | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.4 | -28.6 | -171 | -58.5 | 0 | 0 | 0 | 0 | 113.9 | L387 F418 L419 I424 P444 | L387-T422 HydrophobicContact CB-CG2 4.31Å; L387-T422 HydrophobicContact CD1-CG2 3.41Å; L387-T422 VanDerWaalsContact CD1-CG2 3.41Å; L387-T422 HydrophobicContact CG-CG2 4.47Å; F418-T422 WeakPolarHBondContact CE2-OG1 3.32Å; F418-T422 HydrophobicContact CZ-CG2 4.49Å; F418-T422 VanDerWaalsContact CZ-OG1 3.28Å; F418-T422 WeakPolarHBondContact CZ-OG1 3.28Å; F418-T422 WeakPolarHBondContact O-CB 3.45Å; F418-T422 PolarHBondContact O-N 3.45Å; F418-T422 PolarHBondContact O-OG1 3.15Å; L419-T422 PolarHBondContact O-N 2.71Å; L419-T422 VanDerWaalsContact O-N 3.16Å; T422-I424 PolarHBondContact O-N 2.85Å; T422-P444 HydrophobicContact CG2-CG 4.26Å |
| 423 | Q | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -58.1 | 133.6 | 178.3 | -167.9 | -172.9 | 32.3 | 0 | 0 | 111.7 | L419 P425 G441 F443 R483 | L419-Q423 PolarHBondContact O-N 3.47Å; Q423-P425 WeakPolarHBondContact O-CD 3.16Å; Q423-G441 WeakPolarHBondContact CG-O 3.15Å; Q423-G441 PolarHBondContact NE2-O 3.01Å; Q423-F443 HydrophobicContact CB-CD1 3.97Å; Q423-F443 HydrophobicContact CB-CE1 3.42Å; Q423-F443 VanDerWaalsContact CB-CE1 3.42Å; Q423-F443 HydrophobicContact CB-CE2 4.24Å; Q423-F443 HydrophobicContact CB-CZ 3.56Å; Q423-F443 HydrophobicContact CG-CD1 4.38Å; Q423-F443 HydrophobicContact CG-CD2 4.33Å; Q423-F443 HydrophobicContact CG-CE1 3.94Å; Q423-F443 HydrophobicContact CG-CE2 3.82Å; Q423-F443 HydrophobicContact CG-CZ 3.63Å; Q423-R483 PolarHBondContact NE2-O 3.36Å |
| 424 | I | 98.7 | Very high | 98.4 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | trans | -70.8 | 122.7 | -175.7 | -57.2 | -50 | 0 | 0 | 0 | 110.9 | T422 E426 N439 G441 G442 P444 R448 I453 | T422-I424 PolarHBondContact O-N 2.85Å; I424-E426 WeakPolarHBondContact CG2-O 3.2Å; I424-N439 WeakPolarHBondContact CB-O 3.28Å; I424-G441 PolarHBondContact O-N 2.73Å; I424-G442 WeakPolarHBondContact CG1-O 3.48Å; I424-G442 PolarHBondContact N-O 3.22Å; I424-P444 HydrophobicContact CD1-CG 4.34Å; I424-R448 HydrophobicContact CD1-CB 4.47Å; I424-R448 HydrophobicContact CD1-CG 4.04Å; I424-I453 HydrophobicContact CB-CG2 4.49Å; I424-I453 HydrophobicContact CG1-CG2 3.6Å | ||
| 425 | P | 97.9 | Very high | 98.4 | Very high | 76 Ų | 76 | 46 Ų | 46 | 49% | 0.494 | 23% | 0.23 | S | C | . | . | trans | -78.3 | -35.4 | -174.1 | 28.9 | -34.3 | 0 | 0 | 0 | 113.6 | Q423 K440 | Q423-P425 WeakPolarHBondContact O-CD 3.16Å; P425-K440 WeakPolarHBondContact O-CE 3.41Å; P425-K440 WeakPolarHBondContact O-CG 3.35Å | ||
| 426 | E | 98.2 | Very high | 98.4 | Very high | 115 Ų | 115 | 46.6 Ų | 46.6 | 54% | 0.537 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -147 | 156 | -173.4 | -65.5 | -58.3 | 159.2 | 0 | 0 | 111.9 | I424 K440 | I424-E426 WeakPolarHBondContact CG2-O 3.2Å; E426-K440 IonicContact OE1-NZ 3.12Å; E426-K440 PolarHBondContact OE1-NZ 3.18Å; E426-K440 WeakPolarHBondContact OE2-CD 3.34Å; E426-K440 IonicContact OE2-NZ 2.62Å; E426-K440 PolarHBondContact OE2-NZ 2.7Å |
| 427 | N | 98.8 | Very high | 98.4 | Very high | 48 Ų | 48 | 47.7 Ų | 47.7 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -70.9 | 143.5 | 171 | -63.7 | -58.5 | 0 | 0 | 0 | 110.5 | Y431 M438 N439 K440 | N427-Y431 HydrophobicContact CB-CD1 3.91Å; N427-Y431 HydrophobicContact CB-CE1 3.98Å; N427-M438 WeakPolarHBondContact OD1-CG 3.31Å; N427-N439 WeakPolarHBondContact CA-OD1 3.47Å; N427-N439 PolarHBondContact OD1-N 3.44Å; N427-N439 PolarHBondContact OD1-OD1 3.48Å; N427-K440 PolarHBondContact OD1-N 3.05Å |
| 428 | P | 98.1 | Very high | 98.4 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 12% | 0.117 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 149.8 | 170.3 | -20.2 | 29.1 | 0 | 0 | 0 | 111.9 | F330 E430 Y431 N439 | F330-P428 HydrophobicContact CB-CB 4.4Å; F330-P428 HydrophobicContact CB-CG 4.36Å; F330-P428 HydrophobicContact CD1-CB 3.44Å; F330-P428 VanDerWaalsContact CD1-CB 3.44Å; F330-P428 HydrophobicContact CD1-CG 4.3Å; F330-P428 HydrophobicContact CD2-CB 4.1Å; F330-P428 HydrophobicContact CD2-CG 4.43Å; F330-P428 HydrophobicContact CE1-CB 3.56Å; F330-P428 HydrophobicContact CE2-CB 4.2Å; F330-P428 HydrophobicContact CG-CB 3.72Å; F330-P428 HydrophobicContact CG-CG 4.12Å; F330-P428 HydrophobicContact CZ-CB 3.94Å; P428-E430 PolarHBondContact O-N 3.41Å; P428-Y431 WeakPolarHBondContact O-CB 3.11Å; P428-Y431 WeakPolarHBondContact O-CD1 3.32Å; P428-Y431 PolarHBondContact O-N 2.84Å; P428-N439 WeakPolarHBondContact CD-OD1 3.47Å |
| 429 | P | 97.3 | Very high | 98.3 | Very high | 97 Ų | 97 | 47.2 Ų | 47.2 | 63% | 0.63 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 138.2 | 175.4 | 26.9 | -33.5 | 0 | 0 | 0 | 110.5 | F330 Y431 | F330-P429 HydrophobicContact CE1-CG 4.3Å; F330-P429 WeakPolarHBondContact CE1-O 3.32Å; F330-P429 VanDerWaalsContact CZ-O 3.27Å; F330-P429 WeakPolarHBondContact CZ-O 3.42Å; P429-Y431 PolarHBondContact O-N 2.95Å |
| 430 | E | 97.3 | Very high | 98.3 | Very high | 129 Ų | 129 | 50.2 Ų | 50.2 | 60% | 0.603 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 22.9 | 178.8 | -56 | -179.5 | 94.2 | 0 | 0 | 114.8 | P428 Q432 K433 Y434 | P428-E430 PolarHBondContact O-N 3.41Å; E430-Q432 PolarHBondContact O-N 2.88Å; E430-K433 HydrophobicContact CB-CB 4.49Å; E430-K433 VanDerWaalsContact O-CB 3.31Å; E430-K433 WeakPolarHBondContact O-CB 3.3Å; E430-K433 PolarHBondContact O-N 3.43Å; E430-Y434 HydrophobicContact CB-CE2 4.11Å; E430-Y434 WeakPolarHBondContact O-CD2 3.47Å |
| 431 | Y | 98.4 | Very high | 98.3 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 15% | 0.153 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -31.9 | -171.9 | 74.9 | -83.8 | 0 | 0 | 0 | 114.3 | N427 P428 P429 Y434 Y435 R436 M438 | N427-Y431 HydrophobicContact CB-CD1 3.91Å; N427-Y431 HydrophobicContact CB-CE1 3.98Å; P428-Y431 WeakPolarHBondContact O-CB 3.11Å; P428-Y431 WeakPolarHBondContact O-CD1 3.32Å; P428-Y431 PolarHBondContact O-N 2.84Å; P429-Y431 PolarHBondContact O-N 2.95Å; Y431-Y434 CarbonylContact O-C 3.59Å; Y431-Y434 PolarHBondContact O-N 3.22Å; Y431-Y435 PolarHBondContact O-N 2.85Å; Y431-R436 HydrophobicContact CD2-CB 4.05Å; Y431-R436 VanDerWaalsContact CD2-O 3.24Å; Y431-R436 WeakPolarHBondContact CD2-O 3.47Å; Y431-R436 WeakPolarHBondContact O-CB 3.36Å; Y431-R436 PolarHBondContact O-N 3.1Å; Y431-M438 HydrophobicContact CE2-CB 4.19Å |
| 432 | Q | 98.5 | Very high | 98.4 | Very high | 134 Ų | 134 | 45.9 Ų | 45.9 | 63% | 0.626 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -36 | 177.9 | -67.2 | 149.8 | -37.9 | 0 | 0 | 113 | E430 Y434 Y435 | E430-Q432 PolarHBondContact O-N 2.88Å; Q432-Y434 PolarHBondContact O-N 3.2Å; Q432-Y435 PolarHBondContact O-N 3.42Å |
| 433 | K | 98.3 | Very high | 98.4 | Very high | 91 Ų | 91 | 46 Ų | 46 | 40% | 0.396 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -39.6 | 175.4 | 178.4 | -175.2 | 166.9 | -159.7 | 0 | 110.4 | D322 E430 Y435 | D322-K433 IonicContact OD1-NZ 2.78Å; D322-K433 WeakPolarHBondContact OD2-CE 3.27Å; D322-K433 IonicContact OD2-NZ 3.05Å; D322-K433 PolarHBondContact OD2-NZ 2.74Å; E430-K433 HydrophobicContact CB-CB 4.49Å; E430-K433 VanDerWaalsContact O-CB 3.31Å; E430-K433 WeakPolarHBondContact O-CB 3.3Å; E430-K433 PolarHBondContact O-N 3.43Å; K433-Y435 VanDerWaalsContact C-N 3.3Å; K433-Y435 WeakPolarHBondContact O-CD1 3.5Å; K433-Y435 WeakPolarHBondContact O-CE1 3.42Å; K433-Y435 PolarHBondContact O-N 3.19Å |
| 434 | Y | 98.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 19.3 | -178.9 | -48.9 | -73.6 | 0 | 0 | 0 | 112.9 | H323 A326 F330 E430 Y431 Q432 R436 | H323-Y434 AromaticContact CE1-CD1 3.96Å; H323-Y434 AromaticContact ND1-CD1 3.94Å; A326-Y434 HydrophobicContact CB-CD1 3.34Å; A326-Y434 HydrophobicContact CB-CD2 3.64Å; A326-Y434 HydrophobicContact CB-CE1 3.51Å; A326-Y434 HydrophobicContact CB-CE2 3.8Å; A326-Y434 HydrophobicContact CB-CG 3.38Å; F330-Y434 AromaticContact CE2-CD2 3.74Å; F330-Y434 HydrophobicContact CE2-CD2 3.74Å; F330-Y434 HydrophobicContact CE2-CG 4.19Å; F330-Y434 AromaticContact CZ-CD2 3.59Å; F330-Y434 HydrophobicContact CZ-CD2 3.59Å; F330-Y434 HydrophobicContact CZ-CE2 4.04Å; F330-Y434 HydrophobicContact CZ-CG 4.45Å; E430-Y434 HydrophobicContact CB-CE2 4.11Å; E430-Y434 WeakPolarHBondContact O-CD2 3.47Å; Y431-Y434 CarbonylContact O-C 3.59Å; Y431-Y434 PolarHBondContact O-N 3.22Å; Q432-Y434 PolarHBondContact O-N 3.2Å; Y434-R436 PolarHBondContact O-N 3.47Å |
| 435 | Y | 98.7 | Very high | 98.4 | Very high | 39 Ų | 39 | 46.2 Ų | 46.2 | 15% | 0.153 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 24.4 | 172.1 | -37.8 | -42.9 | 0 | 0 | 0 | 114.9 | W217 H226 S228 R235 H323 Y431 Q432 K433 R508 | W217-Y435 HydrophobicContact CE3-CE2 4.41Å; W217-Y435 HydrophobicContact CZ3-CE2 4.02Å; H226-Y435 AromaticContact CE1-CZ 3.76Å; H226-Y435 PolarHBondContact CE1-OH 3.22Å; S228-Y435 VanDerWaalsContact CB-CD1 3.42Å; S228-Y435 VanDerWaalsContact CB-CD2 3.48Å; R235-Y435 PolarHBondContact NH2-O 3.16Å; R235-Y435 VanDerWaalsContact NH2-O 3.16Å; H323-Y435 AromaticContact CE1-CD2 3.85Å; H323-Y435 AromaticContact CE1-CE2 3.34Å; H323-Y435 WeakPolarHBondContact CE1-CE2 3.2Å; H323-Y435 AromaticContact CE1-CZ 3.57Å; Y431-Y435 PolarHBondContact O-N 2.85Å; Q432-Y435 PolarHBondContact O-N 3.42Å; K433-Y435 VanDerWaalsContact C-N 3.3Å; K433-Y435 WeakPolarHBondContact O-CD1 3.5Å; K433-Y435 WeakPolarHBondContact O-CE1 3.42Å; K433-Y435 PolarHBondContact O-N 3.19Å; Y435-R508 PolarHBondContact O-NH1 2.88Å; Y435-R508 PolarHBondContact O-NH2 3.16Å |
| 436 | R | 98.8 | Very high | 98.5 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 5% | 0.045 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 146.4 | 176.1 | -69.5 | -70.6 | -62.4 | -96.9 | -6.2 | 110.6 | F330 Y431 Y434 N439 G451 W452 | F330-R436 HydrophobicContact CD2-CG 4.09Å; F330-R436 HydrophobicContact CE2-CG 4.19Å; Y431-R436 HydrophobicContact CD2-CB 4.05Å; Y431-R436 VanDerWaalsContact CD2-O 3.24Å; Y431-R436 WeakPolarHBondContact CD2-O 3.47Å; Y431-R436 WeakPolarHBondContact O-CB 3.36Å; Y431-R436 PolarHBondContact O-N 3.1Å; Y434-R436 PolarHBondContact O-N 3.47Å; R436-N439 PolarHBondContact NH2-ND2 3.05Å; R436-G451 PolarHBondContact NH2-O 3.35Å; R436-W452 VanDerWaalsContact CD-CZ2 3.41Å |
| 437 | Q | 98.8 | Very high | 98.5 | Very high | 25 Ų | 25 | 37.4 Ų | 37.4 | 12% | 0.117 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 149.9 | 165.9 | -171.1 | 61.3 | 27.7 | 0 | 0 | 110.6 | N439 I453 S493 M494 E505 | Q437-N439 PolarHBondContact O-N 2.87Å; Q437-I453 HydrophobicContact CG-CD1 4.34Å; Q437-S493 PolarHBondContact NE2-O 3.02Å; Q437-S493 PolarHBondContact NE2-OG 2.94Å; Q437-M494 HydrophobicContact CG-CG 4.08Å; Q437-M494 HydrophobicContact CG-SD 4.35Å; Q437-E505 HydrophobicContact CB-CG 4.13Å |
| 438 | M | 98.6 | Very high | 98.5 | Very high | 49 Ų | 49 | 38.6 Ų | 38.6 | 24% | 0.241 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 125.7 | 166.7 | -178.6 | -170.4 | 75.7 | 0 | 0 | 109.2 | N427 Y431 N489 V490 | N427-M438 WeakPolarHBondContact OD1-CG 3.31Å; Y431-M438 HydrophobicContact CE2-CB 4.19Å; M438-N489 HydrophobicContact CE-CB 4.28Å; M438-N489 WeakPolarHBondContact CE-O 3.39Å; M438-V490 HydrophobicContact CE-CG2 4.08Å |
| 439 | N | 98.1 | Very high | 98.5 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | trans | -126.9 | -4.7 | -172.2 | 69.9 | -13.9 | 0 | 0 | 0 | 115.2 | I424 N427 P428 R436 Q437 G441 G442 G451 I453 | I424-N439 WeakPolarHBondContact CB-O 3.28Å; N427-N439 WeakPolarHBondContact CA-OD1 3.47Å; N427-N439 PolarHBondContact OD1-N 3.44Å; N427-N439 PolarHBondContact OD1-OD1 3.48Å; P428-N439 WeakPolarHBondContact CD-OD1 3.47Å; R436-N439 PolarHBondContact NH2-ND2 3.05Å; Q437-N439 PolarHBondContact O-N 2.87Å; N439-G441 PolarHBondContact O-N 3.34Å; N439-G442 PolarHBondContact O-N 3.43Å; N439-G451 PolarHBondContact ND2-O 3.23Å; N439-I453 HydrophobicContact CB-CB 4.19Å; N439-I453 HydrophobicContact CB-CG1 3.39Å; N439-I453 HydrophobicContact CB-CG2 3.72Å | ||
| 440 | K | 98.8 | Very high | 98.6 | Very high | 62 Ų | 62 | 34.8 Ų | 34.8 | 27% | 0.27 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 120.6 | 172.5 | 175.2 | 170.3 | -170.3 | 156.1 | 0 | 111.2 | P425 E426 N427 G442 V490 | P425-K440 WeakPolarHBondContact O-CE 3.41Å; P425-K440 WeakPolarHBondContact O-CG 3.35Å; E426-K440 IonicContact OE1-NZ 3.12Å; E426-K440 PolarHBondContact OE1-NZ 3.18Å; E426-K440 WeakPolarHBondContact OE2-CD 3.34Å; E426-K440 IonicContact OE2-NZ 2.62Å; E426-K440 PolarHBondContact OE2-NZ 2.7Å; N427-K440 PolarHBondContact OD1-N 3.05Å; K440-G442 VanDerWaalsContact C-N 3.3Å; K440-V490 WeakPolarHBondContact O-CG2 3.39Å |
| 441 | G | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | -10.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q423 I424 N439 A487 | Q423-G441 WeakPolarHBondContact CG-O 3.15Å; Q423-G441 PolarHBondContact NE2-O 3.01Å; I424-G441 PolarHBondContact O-N 2.73Å; N439-G441 PolarHBondContact O-N 3.34Å; G441-A487 VanDerWaalsContact O-CA 3.32Å; G441-A487 WeakPolarHBondContact O-CA 3.15Å; G441-A487 VanDerWaalsContact O-CB 3.23Å; G441-A487 WeakPolarHBondContact O-CB 3.5Å |
| 442 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -78.1 | 174.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I424 N439 K440 | I424-G442 WeakPolarHBondContact CG1-O 3.48Å; I424-G442 PolarHBondContact N-O 3.22Å; N439-G442 PolarHBondContact O-N 3.43Å; K440-G442 VanDerWaalsContact C-N 3.3Å | ||
| 443 | F | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.009 | 10% | 0.095 | C | C | . | . | trans | -127 | 134 | 176 | -64.2 | -95.9 | 0 | 0 | 0 | 111.6 | L387 L419 Q423 I453 V454 T458 V465 | L387-F443 HydrophobicContact CD1-CB 3.85Å; L387-F443 HydrophobicContact CD1-CD1 3.34Å; L387-F443 HydrophobicContact CD1-CE1 4.16Å; L387-F443 HydrophobicContact CD1-CG 3.99Å; L387-F443 HydrophobicContact CD2-CB 3.61Å; L387-F443 HydrophobicContact CD2-CG 4.41Å; L387-F443 HydrophobicContact CG-CB 4.37Å; L419-F443 WeakPolarHBondContact O-CE1 3.47Å; Q423-F443 HydrophobicContact CB-CD1 3.97Å; Q423-F443 HydrophobicContact CB-CE1 3.42Å; Q423-F443 VanDerWaalsContact CB-CE1 3.42Å; Q423-F443 HydrophobicContact CB-CE2 4.24Å; Q423-F443 HydrophobicContact CB-CZ 3.56Å; Q423-F443 HydrophobicContact CG-CD1 4.38Å; Q423-F443 HydrophobicContact CG-CD2 4.33Å; Q423-F443 HydrophobicContact CG-CE1 3.94Å; Q423-F443 HydrophobicContact CG-CE2 3.82Å; Q423-F443 HydrophobicContact CG-CZ 3.63Å; F443-I453 WeakPolarHBondContact O-CA 3.38Å; F443-V454 PolarHBondContact O-N 3.1Å; F443-V454 VanDerWaalsContact O-N 3.12Å; F443-T458 HydrophobicContact CD2-CG2 4.39Å; F443-T458 PolarHBondContact N-OG1 2.63Å; F443-T458 PolarHBondContact O-OG1 2.86Å; F443-V465 HydrophobicContact CZ-CG2 4.38Å | ||
| 444 | P | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.078 | C | C | . | . | B | Isolated β-bridge | trans | -82.1 | 160 | 174.1 | 34.5 | -33.1 | 0 | 0 | 0 | 111.6 | L387 T422 I424 S446 T447 W452 | L387-P444 WeakPolarHBondContact CB-O 3.27Å; L387-P444 WeakPolarHBondContact CD2-O 3.48Å; T422-P444 HydrophobicContact CG2-CG 4.26Å; I424-P444 HydrophobicContact CD1-CG 4.34Å; P444-S446 VanDerWaalsContact C-N 3.25Å; P444-S446 PolarHBondContact O-N 3.48Å; P444-T447 VanDerWaalsContact CG-C 3.49Å; P444-T447 WeakPolarHBondContact CG-O 3.21Å; P444-W452 VanDerWaalsContact CA-O 3.26Å; P444-W452 WeakPolarHBondContact CA-O 3.31Å; P444-W452 VanDerWaalsContact CB-O 3.24Å; P444-W452 WeakPolarHBondContact CB-O 3.2Å |
| 445 | F | 98.9 | Very high | 98.7 | Very high | 17 Ų | 17 | 16.5 Ų | 16.5 | 8% | 0.075 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -58.3 | -38.1 | 175.1 | 178.1 | -97.9 | 0 | 0 | 0 | 113.2 | Y99 T382 G384 S385 L387 W388 V454 C457 Y705 | Y99-F445 HydrophobicContact CD1-CE1 4.39Å; Y99-F445 AromaticContact CE1-CE1 3.65Å; Y99-F445 HydrophobicContact CE1-CE1 3.65Å; Y99-F445 HydrophobicContact CE1-CZ 4.15Å; Y99-F445 HydrophobicContact CE2-CE1 4.07Å; Y99-F445 AromaticContact CE2-CZ 3.77Å; Y99-F445 HydrophobicContact CE2-CZ 3.77Å; Y99-F445 AromaticContact CZ-CE1 3.48Å; Y99-F445 VanDerWaalsContact CZ-CE1 3.48Å; Y99-F445 AromaticContact CZ-CZ 3.47Å; Y99-F445 VanDerWaalsContact CZ-CZ 3.47Å; Y99-F445 WeakPolarHBondContact OH-CE1 3.48Å; Y99-F445 VanDerWaalsContact OH-CZ 3.25Å; Y99-F445 WeakPolarHBondContact OH-CZ 3.48Å; T382-F445 HydrophobicContact CG2-CD1 4.16Å; T382-F445 HydrophobicContact CG2-CE1 4.45Å; G384-F445 WeakPolarHBondContact O-CD1 3.44Å; G384-F445 WeakPolarHBondContact O-CE1 3.39Å; S385-F445 VanDerWaalsContact CA-CE1 3.47Å; L387-F445 PolarHBondContact N-O 3.15Å; W388-F445 HydrophobicContact CB-CD2 3.67Å; W388-F445 HydrophobicContact CB-CE2 3.44Å; W388-F445 VanDerWaalsContact CB-CE2 3.44Å; W388-F445 HydrophobicContact CB-CG 4.45Å; W388-F445 HydrophobicContact CB-CZ 4.06Å; W388-F445 AromaticContact CD1-CE2 3.82Å; W388-F445 HydrophobicContact CD2-CD2 4.15Å; W388-F445 AromaticContact CD2-CE2 3.79Å; W388-F445 HydrophobicContact CD2-CE2 3.79Å; W388-F445 HydrophobicContact CE3-CD2 4.26Å; W388-F445 HydrophobicContact CE3-CE2 4.34Å; W388-F445 AromaticContact CG-CD2 3.93Å; W388-F445 HydrophobicContact CG-CD2 3.93Å; W388-F445 AromaticContact CG-CE2 3.38Å; W388-F445 HydrophobicContact CG-CE2 3.38Å; W388-F445 HydrophobicContact CG-CZ 4.16Å; W388-F445 PolarHBondContact N-O 3.17Å; F445-V454 HydrophobicContact CB-CG2 4.22Å; F445-C457 VanDerWaalsContact CA-SG 3.56Å; F445-Y705 AromaticContact CE2-CE1 3.98Å; F445-Y705 HydrophobicContact CE2-CE1 3.98Å; F445-Y705 AromaticContact CZ-CE1 3.75Å; F445-Y705 HydrophobicContact CZ-CE1 3.75Å |
| 446 | S | 98.7 | Very high | 98.7 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.014 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -102.7 | -94.5 | -174.4 | 58 | 0 | 0 | 0 | 0 | 112.1 | N383 G384 Q386 L387 P444 C450 | N383-S446 WeakPolarHBondContact OD1-CB 3.41Å; N383-S446 PolarHBondContact OD1-OG 2.96Å; G384-S446 WeakPolarHBondContact O-CB 3.07Å; Q386-S446 VanDerWaalsContact OE1-CA 3.23Å; Q386-S446 VanDerWaalsContact OE1-CB 3.24Å; L387-S446 WeakPolarHBondContact CB-O 3.36Å; L387-S446 PolarHBondContact N-O 2.81Å; L387-S446 VanDerWaalsContact N-O 3.12Å; P444-S446 VanDerWaalsContact C-N 3.25Å; P444-S446 PolarHBondContact O-N 3.48Å; S446-C450 WeakPolarHBondContact OG-CB 3.48Å |
| 447 | T | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 14.7 Ų | 14.7 | 3% | 0.025 | 7% | 0.07 | C | C | . | . | trans | -130.8 | 159.6 | -171 | 67.9 | 0 | 0 | 0 | 0 | 112.1 | N383 Q386 P444 D449 C450 G451 | N383-T447 PolarHBondContact ND2-OG1 3.08Å; Q386-T447 HydrophobicContact CB-CG2 4.44Å; Q386-T447 VanDerWaalsContact CD-CG2 3.45Å; Q386-T447 HydrophobicContact CG-CG2 4.12Å; Q386-T447 VanDerWaalsContact NE2-CG2 3.27Å; P444-T447 VanDerWaalsContact CG-C 3.49Å; P444-T447 WeakPolarHBondContact CG-O 3.21Å; T447-D449 PolarHBondContact O-N 3.29Å; T447-C450 WeakPolarHBondContact O-CB 3.29Å; T447-C450 PolarHBondContact O-N 3.25Å; T447-C450 VanDerWaalsContact O-N 3.1Å; T447-G451 PolarHBondContact O-N 2.93Å | ||
| 448 | R | 98.6 | Very high | 98.7 | Very high | 73 Ų | 73 | 13.5 Ų | 13.5 | 28% | 0.275 | 6% | 0.064 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -41.2 | 176.2 | 177.9 | 174.7 | 63.4 | -167.1 | 6.9 | 112.8 | E31 V421 I424 C450 G451 | E31-R448 IonicContact OE1-CZ 3.12Å; E31-R448 IonicContact OE1-NH2 3.31Å; E31-R448 PolarHBondContact OE1-NH2 2.93Å; E31-R448 IonicContact OE2-CZ 3.2Å; E31-R448 IonicContact OE2-NH2 2.68Å; E31-R448 PolarHBondContact OE2-NH2 3.12Å; V421-R448 VanDerWaalsContact O-CD 3.31Å; V421-R448 WeakPolarHBondContact O-CD 3.35Å; V421-R448 PolarHBondContact O-NH1 2.93Å; I424-R448 HydrophobicContact CD1-CB 4.47Å; I424-R448 HydrophobicContact CD1-CG 4.04Å; R448-C450 VanDerWaalsContact C-N 3.3Å; R448-C450 PolarHBondContact O-N 3.41Å; R448-G451 WeakPolarHBondContact O-CA 3.37Å; R448-G451 PolarHBondContact O-N 2.66Å; R448-G451 VanDerWaalsContact O-N 3.09Å |
| 449 | D | 98.7 | Very high | 98.7 | Very high | 30 Ų | 30 | 11.2 Ų | 11.2 | 16% | 0.16 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -30.7 | -177.2 | -87.6 | 9.8 | 0 | 0 | 0 | 112.9 | T331 K332 I334 R365 T447 | T331-D449 CarbonylContact C-O 3.51Å; T331-D449 VanDerWaalsContact C-O 3.31Å; T331-D449 WeakPolarHBondContact CA-O 3.48Å; T331-D449 VanDerWaalsContact O-O 3.12Å; K332-D449 HydrophobicContact CD-CB 4.32Å; K332-D449 WeakPolarHBondContact CD-OD2 3.48Å; K332-D449 WeakPolarHBondContact CE-OD1 3.21Å; K332-D449 IonicContact NZ-OD1 3.19Å; K332-D449 PolarHBondContact NZ-OD1 2.95Å; K332-D449 IonicContact NZ-OD2 2.77Å; K332-D449 PolarHBondContact NZ-OD2 3.31Å; I334-D449 HydrophobicContact CD1-CB 3.63Å; R365-D449 IonicContact CZ-OD2 3.9Å; R365-D449 IonicContact NH1-OD2 2.84Å; R365-D449 IonicContact NH2-OD2 3.31Å; R365-D449 PolarHBondContact NH2-OD2 3.44Å; T447-D449 PolarHBondContact O-N 3.29Å |
| 450 | C | 98.8 | Very high | 98.8 | Very high | 5 Ų | 5 | 11.1 Ų | 11.1 | 3% | 0.034 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -44 | 169.9 | 172 | 0 | 0 | 0 | 0 | 111 | T331 I334 S446 T447 R448 W452 | T331-C450 WeakPolarHBondContact CG2-O 3.33Å; I334-C450 HydrophobicContact CG2-CB 4.11Å; S446-C450 WeakPolarHBondContact OG-CB 3.48Å; T447-C450 WeakPolarHBondContact O-CB 3.29Å; T447-C450 PolarHBondContact O-N 3.25Å; T447-C450 VanDerWaalsContact O-N 3.1Å; R448-C450 VanDerWaalsContact C-N 3.3Å; R448-C450 PolarHBondContact O-N 3.41Å; C450-W452 PolarHBondContact O-N 2.66Å |
| 451 | G | 97.7 | Very high | 98.8 | Very high | 5 Ų | 5 | 8.1 Ų | 8.1 | 5% | 0.052 | 4% | 0.039 | C | C | . | . | trans | 69.8 | -2.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | R436 N439 T447 R448 I453 | R436-G451 PolarHBondContact NH2-O 3.35Å; N439-G451 PolarHBondContact ND2-O 3.23Å; T447-G451 PolarHBondContact O-N 2.93Å; R448-G451 WeakPolarHBondContact O-CA 3.37Å; R448-G451 PolarHBondContact O-N 2.66Å; R448-G451 VanDerWaalsContact O-N 3.09Å; G451-I453 PolarHBondContact O-N 2.82Å | ||
| 452 | W | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 8.1 Ų | 8.1 | 2% | 0.019 | 4% | 0.039 | C | C | . | . | trans | -81.9 | 95.6 | 172.7 | -79.5 | 95.7 | 0 | 0 | 0 | 110.1 | C232 Q236 D327 I336 R436 P444 C450 Y504 | C232-W452 HydrophobicContact CB-CH2 4.22Å; C232-W452 HydrophobicContact CB-CZ3 3.8Å; Q236-W452 HydrophobicContact CG-CH2 4.19Å; Q236-W452 HydrophobicContact CG-CZ2 4.01Å; D327-W452 PolarHBondContact OD1-NE1 3.32Å; D327-W452 VanDerWaalsContact OD1-NE1 3.13Å; I336-W452 HydrophobicContact CB-CD2 4.04Å; I336-W452 HydrophobicContact CB-CG 3.98Å; I336-W452 HydrophobicContact CB-CZ2 4.48Å; I336-W452 HydrophobicContact CD1-CD2 3.86Å; I336-W452 HydrophobicContact CD1-CE3 3.81Å; I336-W452 HydrophobicContact CD1-CG 4.26Å; I336-W452 HydrophobicContact CD1-CZ3 4.2Å; I336-W452 HydrophobicContact CG1-CB 4.14Å; I336-W452 HydrophobicContact CG1-CD2 3.91Å; I336-W452 HydrophobicContact CG1-CE3 4.36Å; I336-W452 HydrophobicContact CG1-CG 3.82Å; R436-W452 VanDerWaalsContact CD-CZ2 3.41Å; P444-W452 VanDerWaalsContact CA-O 3.26Å; P444-W452 WeakPolarHBondContact CA-O 3.31Å; P444-W452 VanDerWaalsContact CB-O 3.24Å; P444-W452 WeakPolarHBondContact CB-O 3.2Å; C450-W452 PolarHBondContact O-N 2.66Å; W452-Y504 HydrophobicContact CB-CD1 4.01Å; W452-Y504 HydrophobicContact CB-CE1 3.93Å; W452-Y504 HydrophobicContact CE3-CD1 4.2Å | ||
| 453 | I | 98.8 | Very high | 98.8 | Very high | 5 Ų | 5 | 8.8 Ų | 8.8 | 3% | 0.026 | 4% | 0.041 | C | C | . | . | B | Isolated β-bridge | trans | -69.3 | 155.5 | 179.2 | 62.9 | 75.5 | 0 | 0 | 0 | 112 | I424 Q437 N439 F443 G451 V490 M494 Y504 | I424-I453 HydrophobicContact CB-CG2 4.49Å; I424-I453 HydrophobicContact CG1-CG2 3.6Å; Q437-I453 HydrophobicContact CG-CD1 4.34Å; N439-I453 HydrophobicContact CB-CB 4.19Å; N439-I453 HydrophobicContact CB-CG1 3.39Å; N439-I453 HydrophobicContact CB-CG2 3.72Å; F443-I453 WeakPolarHBondContact O-CA 3.38Å; G451-I453 PolarHBondContact O-N 2.82Å; I453-V490 HydrophobicContact CD1-CG1 3.82Å; I453-V490 HydrophobicContact CG1-CG1 4.34Å; I453-M494 HydrophobicContact CD1-CE 4.37Å; I453-M494 HydrophobicContact CD1-SD 3.96Å; I453-Y504 WeakPolarHBondContact O-CA 3.49Å; I453-Y504 WeakPolarHBondContact O-CD1 2.97Å |
| 454 | V | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 8.7 Ų | 8.7 | 3% | 0.03 | 4% | 0.041 | C | C | . | . | trans | -132.7 | 146.8 | 177.3 | -156 | 0 | 0 | 0 | 0 | 108.7 | F443 F445 D456 C457 T458 T503 Y504 | F443-V454 PolarHBondContact O-N 3.1Å; F443-V454 VanDerWaalsContact O-N 3.12Å; F445-V454 HydrophobicContact CB-CG2 4.22Å; V454-D456 WeakPolarHBondContact CG1-OD1 3.4Å; V454-C457 HydrophobicContact CB-CB 3.82Å; V454-C457 HydrophobicContact CG2-CB 4.18Å; V454-C457 PolarHBondContact O-N 3.07Å; V454-T458 WeakPolarHBondContact O-CB 3.35Å; V454-T458 PolarHBondContact O-N 2.89Å; V454-T458 PolarHBondContact O-OG1 3.44Å; V454-T503 CarbonylContact C-O 3.49Å; V454-T503 WeakPolarHBondContact CA-O 3.37Å; V454-T503 VanDerWaalsContact CG1-C 3.49Å; V454-T503 VanDerWaalsContact CG1-O 3.31Å; V454-T503 WeakPolarHBondContact CG1-O 3.48Å; V454-Y504 HydrophobicContact CG2-CD1 3.83Å; V454-Y504 HydrophobicContact CG2-CE1 3.55Å; V454-Y504 HydrophobicContact CG2-CG 4.43Å | ||
| 455 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -60.2 | -50.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T458 A459 L491 M494 F501 A502 T503 | A455-T458 PolarHBondContact O-N 2.8Å; A455-A459 WeakPolarHBondContact O-CB 3.32Å; A455-A459 PolarHBondContact O-N 3.27Å; A455-L491 HydrophobicContact CB-CD2 4.45Å; A455-L491 VanDerWaalsContact O-CD2 3.24Å; A455-L491 WeakPolarHBondContact O-CD2 3.24Å; A455-M494 HydrophobicContact CB-CE 3.74Å; A455-M494 HydrophobicContact CB-SD 4.25Å; A455-F501 HydrophobicContact CB-CB 4.43Å; A455-F501 HydrophobicContact CB-CD1 4.18Å; A455-A502 WeakPolarHBondContact CB-O 3.46Å; A455-T503 PolarHBondContact N-O 2.92Å |
| 456 | D | 98.8 | Very high | 98.8 | Very high | 13 Ų | 13 | 8.2 Ų | 8.2 | 7% | 0.07 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -65.8 | -44.5 | 176.7 | 44.5 | 24.9 | 0 | 0 | 0 | 112.1 | W388 V454 T458 A459 E460 C534 A537 | W388-D456 HydrophobicContact CZ3-CB 4.16Å; V454-D456 WeakPolarHBondContact CG1-OD1 3.4Å; D456-T458 VanDerWaalsContact C-N 3.26Å; D456-T458 PolarHBondContact O-N 2.92Å; D456-A459 CarbonylContact O-C 3.56Å; D456-A459 WeakPolarHBondContact O-CB 3.33Å; D456-A459 PolarHBondContact O-N 3.1Å; D456-A459 VanDerWaalsContact O-N 3.08Å; D456-E460 WeakPolarHBondContact O-CB 3.23Å; D456-E460 VanDerWaalsContact O-CG 3.32Å; D456-E460 WeakPolarHBondContact O-CG 3.3Å; D456-E460 PolarHBondContact O-N 3.04Å; D456-C534 PolarHBondContact OD2-SG 2.84Å; D456-A537 HydrophobicContact CB-CB 3.97Å |
| 457 | C | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 1% | 0.007 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -60.8 | -38.9 | 177.4 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | L387 F445 V454 G461 | L387-C457 HydrophobicContact CD2-CB 3.83Å; L387-C457 WeakPolarHBondContact CD2-O 3.42Å; F445-C457 VanDerWaalsContact CA-SG 3.56Å; V454-C457 HydrophobicContact CB-CB 3.82Å; V454-C457 HydrophobicContact CG2-CB 4.18Å; V454-C457 PolarHBondContact O-N 3.07Å; C457-G461 PolarHBondContact O-N 3.12Å |
| 458 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -67.1 | -41.1 | 174.2 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | F443 V454 A455 D456 L462 A487 V490 L491 | F443-T458 HydrophobicContact CD2-CG2 4.39Å; F443-T458 PolarHBondContact N-OG1 2.63Å; F443-T458 PolarHBondContact O-OG1 2.86Å; V454-T458 WeakPolarHBondContact O-CB 3.35Å; V454-T458 PolarHBondContact O-N 2.89Å; V454-T458 PolarHBondContact O-OG1 3.44Å; A455-T458 PolarHBondContact O-N 2.8Å; D456-T458 VanDerWaalsContact C-N 3.26Å; D456-T458 PolarHBondContact O-N 2.92Å; T458-L462 VanDerWaalsContact O-CB 3.22Å; T458-L462 WeakPolarHBondContact O-CB 3.13Å; T458-L462 PolarHBondContact O-N 3.17Å; T458-A487 HydrophobicContact CG2-CB 4.23Å; T458-V490 HydrophobicContact CG2-CB 4.44Å; T458-V490 HydrophobicContact CG2-CG1 4.32Å; T458-L491 HydrophobicContact CG2-CD2 4.03Å; T458-L491 HydrophobicContact CG2-CG 4.05Å |
| 459 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -65.6 | -49.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A455 D456 L462 K463 L491 A537 A541 | A455-A459 WeakPolarHBondContact O-CB 3.32Å; A455-A459 PolarHBondContact O-N 3.27Å; D456-A459 CarbonylContact O-C 3.56Å; D456-A459 WeakPolarHBondContact O-CB 3.33Å; D456-A459 PolarHBondContact O-N 3.1Å; D456-A459 VanDerWaalsContact O-N 3.08Å; A459-L462 PolarHBondContact O-N 3.36Å; A459-K463 VanDerWaalsContact O-CB 3.26Å; A459-K463 WeakPolarHBondContact O-CB 3.42Å; A459-K463 PolarHBondContact O-N 3.05Å; A459-L491 HydrophobicContact CB-CD1 4.25Å; A459-L491 HydrophobicContact CB-CD2 4.36Å; A459-A537 HydrophobicContact CB-CB 4.14Å; A459-A537 WeakPolarHBondContact CB-O 3.38Å; A459-A541 HydrophobicContact CB-CB 3.72Å; A459-A541 VanDerWaalsContact O-CB 3.25Å; A459-A541 WeakPolarHBondContact O-CB 3.42Å |
| 460 | E | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 12.1 Ų | 12.1 | 1% | 0.009 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66.6 | -39.5 | 178.6 | -62.6 | -54.6 | 148.5 | 0 | 0 | 111.5 | C391 F392 Q395 D456 K463 S464 A537 | C391-E460 HydrophobicContact CB-CB 3.98Å; F392-E460 HydrophobicContact CE1-CG 3.84Å; F392-E460 HydrophobicContact CZ-CG 4.43Å; Q395-E460 PolarHBondContact NE2-OE2 2.85Å; Q395-E460 PolarHBondContact OE1-OE2 2.9Å; D456-E460 WeakPolarHBondContact O-CB 3.23Å; D456-E460 VanDerWaalsContact O-CG 3.32Å; D456-E460 WeakPolarHBondContact O-CG 3.3Å; D456-E460 PolarHBondContact O-N 3.04Å; E460-K463 VanDerWaalsContact CD-NZ 3.28Å; E460-K463 PolarHBondContact O-N 3.37Å; E460-K463 IonicContact OE1-NZ 2.58Å; E460-K463 PolarHBondContact OE1-NZ 3.22Å; E460-K463 WeakPolarHBondContact OE2-CE 3.35Å; E460-K463 IonicContact OE2-NZ 3.59Å; E460-K463 PolarHBondContact OE2-NZ 3.02Å; E460-S464 VanDerWaalsContact O-CB 3.31Å; E460-S464 WeakPolarHBondContact O-CB 3.47Å; E460-S464 PolarHBondContact O-N 3.34Å; E460-S464 PolarHBondContact O-OG 2.94Å; E460-S464 VanDerWaalsContact O-OG 3.05Å; E460-A537 HydrophobicContact CG-CB 4.48Å; E460-A537 WeakPolarHBondContact OE1-CB 3.47Å |
| 461 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.9 | -47 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C391 C457 V465 | C391-G461 WeakPolarHBondContact SG-CA 3.48Å; C457-G461 PolarHBondContact O-N 3.12Å; G461-V465 WeakPolarHBondContact O-CB 3.38Å; G461-V465 VanDerWaalsContact O-CG2 3.29Å; G461-V465 WeakPolarHBondContact O-CG2 3.49Å; G461-V465 PolarHBondContact O-N 3.32Å |
| 462 | L | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.7 | -47.6 | 175.4 | 175.6 | 60.3 | 0 | 0 | 0 | 111.3 | T458 A459 V465 M466 L484 A487 V488 L491 | T458-L462 VanDerWaalsContact O-CB 3.22Å; T458-L462 WeakPolarHBondContact O-CB 3.13Å; T458-L462 PolarHBondContact O-N 3.17Å; A459-L462 PolarHBondContact O-N 3.36Å; L462-V465 PolarHBondContact O-N 2.96Å; L462-M466 HydrophobicContact CD1-CG 4.16Å; L462-M466 HydrophobicContact CD1-SD 4.01Å; L462-M466 HydrophobicContact CG-SD 4.14Å; L462-M466 WeakPolarHBondContact O-CB 3.45Å; L462-M466 VanDerWaalsContact O-CG 3.31Å; L462-M466 WeakPolarHBondContact O-CG 3.2Å; L462-M466 PolarHBondContact O-N 3.18Å; L462-L484 HydrophobicContact CD1-CB 4.15Å; L462-L484 HydrophobicContact CD1-CD2 3.9Å; L462-A487 HydrophobicContact CB-CB 4.43Å; L462-A487 HydrophobicContact CD1-CB 4.22Å; L462-A487 HydrophobicContact CD2-CB 4.36Å; L462-V488 HydrophobicContact CD2-CG2 3.71Å; L462-L491 HydrophobicContact CD2-CD1 4.45Å |
| 463 | K | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 21.2 Ų | 21.2 | 6% | 0.057 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.7 | -47.8 | -179.4 | -163.1 | 170.9 | 74.5 | -167.1 | 0 | 110.9 | Q395 A459 E460 M466 L467 Q540 A541 | Q395-K463 VanDerWaalsContact OE1-NZ 3.15Å; A459-K463 VanDerWaalsContact O-CB 3.26Å; A459-K463 WeakPolarHBondContact O-CB 3.42Å; A459-K463 PolarHBondContact O-N 3.05Å; E460-K463 VanDerWaalsContact CD-NZ 3.28Å; E460-K463 PolarHBondContact O-N 3.37Å; E460-K463 IonicContact OE1-NZ 2.58Å; E460-K463 PolarHBondContact OE1-NZ 3.22Å; E460-K463 WeakPolarHBondContact OE2-CE 3.35Å; E460-K463 IonicContact OE2-NZ 3.59Å; E460-K463 PolarHBondContact OE2-NZ 3.02Å; K463-M466 PolarHBondContact O-N 3.48Å; K463-L467 HydrophobicContact CG-CD1 4.07Å; K463-L467 WeakPolarHBondContact O-CB 3.4Å; K463-L467 WeakPolarHBondContact O-CG 3.48Å; K463-L467 PolarHBondContact O-N 2.97Å; K463-Q540 HydrophobicContact CD-CB 4.16Å; K463-A541 HydrophobicContact CB-CB 4.25Å |
| 464 | S | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 178.4 | -65.9 | 0 | 0 | 0 | 0 | 112.8 | C391 Q395 E460 L468 | C391-S464 WeakPolarHBondContact CA-OG 3.35Å; C391-S464 PolarHBondContact O-OG 3.23Å; Q395-S464 WeakPolarHBondContact CG-OG 3.46Å; Q395-S464 PolarHBondContact NE2-OG 3.5Å; E460-S464 VanDerWaalsContact O-CB 3.31Å; E460-S464 WeakPolarHBondContact O-CB 3.47Å; E460-S464 PolarHBondContact O-N 3.34Å; E460-S464 PolarHBondContact O-OG 2.94Å; E460-S464 VanDerWaalsContact O-OG 3.05Å; S464-L468 WeakPolarHBondContact O-CB 3.31Å; S464-L468 WeakPolarHBondContact O-CD1 3.4Å; S464-L468 VanDerWaalsContact O-CG 3.31Å; S464-L468 WeakPolarHBondContact O-CG 3.4Å; S464-L468 PolarHBondContact O-N 3.47Å |
| 465 | V | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.5 | -48.2 | 174.5 | 166.5 | 0 | 0 | 0 | 0 | 111 | L419 F443 G461 L462 L468 Q469 I479 L484 | L419-V465 HydrophobicContact CB-CG2 3.87Å; L419-V465 HydrophobicContact CD1-CG2 4.04Å; F443-V465 HydrophobicContact CZ-CG2 4.38Å; G461-V465 WeakPolarHBondContact O-CB 3.38Å; G461-V465 VanDerWaalsContact O-CG2 3.29Å; G461-V465 WeakPolarHBondContact O-CG2 3.49Å; G461-V465 PolarHBondContact O-N 3.32Å; L462-V465 PolarHBondContact O-N 2.96Å; V465-L468 PolarHBondContact O-N 3.42Å; V465-Q469 VanDerWaalsContact O-CG 3.3Å; V465-Q469 WeakPolarHBondContact O-CG 3.41Å; V465-Q469 PolarHBondContact O-N 2.9Å; V465-I479 HydrophobicContact CB-CD1 4.48Å; V465-I479 HydrophobicContact CG1-CB 4.04Å; V465-I479 HydrophobicContact CG1-CD1 3.79Å; V465-I479 HydrophobicContact CG1-CG1 4.05Å; V465-I479 HydrophobicContact CG2-CD1 3.8Å; V465-L484 HydrophobicContact CG1-CD2 3.83Å |
| 466 | M | 98.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 3% | 0.034 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.1 | -48.3 | -179.5 | -75.3 | -177.6 | 70.2 | 0 | 0 | 112.1 | L462 K463 L468 Q469 E470 L484 H544 F545 V548 | L462-M466 HydrophobicContact CD1-CG 4.16Å; L462-M466 HydrophobicContact CD1-SD 4.01Å; L462-M466 HydrophobicContact CG-SD 4.14Å; L462-M466 WeakPolarHBondContact O-CB 3.45Å; L462-M466 VanDerWaalsContact O-CG 3.31Å; L462-M466 WeakPolarHBondContact O-CG 3.2Å; L462-M466 PolarHBondContact O-N 3.18Å; K463-M466 PolarHBondContact O-N 3.48Å; M466-L468 PolarHBondContact O-N 3.48Å; M466-Q469 PolarHBondContact O-N 2.94Å; M466-E470 WeakPolarHBondContact O-CB 3.21Å; M466-E470 PolarHBondContact O-N 3.49Å; M466-L484 HydrophobicContact CG-CD1 4.49Å; M466-H544 VanDerWaalsContact CE-CD2 3.47Å; M466-H544 WeakPolarHBondContact CE-CD2 3.46Å; M466-F545 VanDerWaalsContact CE-CA 3.49Å; M466-F545 HydrophobicContact CE-CB 4.26Å; M466-F545 HydrophobicContact CE-CD2 4.42Å; M466-F545 HydrophobicContact SD-CB 4Å; M466-F545 HydrophobicContact SD-CD2 4.07Å; M466-V548 HydrophobicContact CE-CB 3.62Å; M466-V548 HydrophobicContact CE-CG1 4.16Å; M466-V548 HydrophobicContact CE-CG2 3.51Å |
| 467 | L | 98.6 | Very high | 96.9 | Very high | 32 Ų | 32 | 40 Ų | 40 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 178.9 | -67.9 | 169 | 0 | 0 | 0 | 111.5 | Q395 L398 K463 Q469 E470 F471 | Q395-L467 HydrophobicContact CG-CD1 4.04Å; L398-L467 HydrophobicContact CD1-CB 3.6Å; K463-L467 HydrophobicContact CG-CD1 4.07Å; K463-L467 WeakPolarHBondContact O-CB 3.4Å; K463-L467 WeakPolarHBondContact O-CG 3.48Å; K463-L467 PolarHBondContact O-N 2.97Å; L467-Q469 PolarHBondContact O-N 3.46Å; L467-E470 PolarHBondContact O-N 3.09Å; L467-F471 HydrophobicContact CB-CD2 4.31Å; L467-F471 HydrophobicContact CD2-CD2 4.26Å; L467-F471 HydrophobicContact CD2-CE2 3.73Å; L467-F471 WeakPolarHBondContact O-CB 3.35Å; L467-F471 VanDerWaalsContact O-CD2 3.22Å; L467-F471 WeakPolarHBondContact O-CD2 3.36Å; L467-F471 PolarHBondContact O-N 3.44Å |
| 468 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 175.1 | -81 | 165.9 | 0 | 0 | 0 | 111.8 | V394 L398 L412 H416 L419 S464 V465 M466 E470 C472 I475 | V394-L468 HydrophobicContact CB-CD1 4.4Å; V394-L468 HydrophobicContact CG1-CD1 3.56Å; V394-L468 HydrophobicContact CG1-CD2 3.96Å; V394-L468 HydrophobicContact CG1-CG 3.52Å; V394-L468 HydrophobicContact CG2-CD1 3.92Å; L398-L468 HydrophobicContact CD1-CD2 4.23Å; L398-L468 HydrophobicContact CD1-CG 4.19Å; L412-L468 HydrophobicContact CB-CD2 3.96Å; L412-L468 HydrophobicContact CD2-CD2 4.2Å; H416-L468 HydrophobicContact CB-CD1 3.95Å; L419-L468 HydrophobicContact CD1-CD1 4.11Å; S464-L468 WeakPolarHBondContact O-CB 3.31Å; S464-L468 WeakPolarHBondContact O-CD1 3.4Å; S464-L468 VanDerWaalsContact O-CG 3.31Å; S464-L468 WeakPolarHBondContact O-CG 3.4Å; S464-L468 PolarHBondContact O-N 3.47Å; V465-L468 PolarHBondContact O-N 3.42Å; M466-L468 PolarHBondContact O-N 3.48Å; L468-E470 VanDerWaalsContact C-N 3.3Å; L468-E470 PolarHBondContact O-N 3.25Å; L468-C472 WeakPolarHBondContact O-CA 3.3Å; L468-C472 WeakPolarHBondContact O-CB 3.39Å; L468-C472 PolarHBondContact O-N 2.95Å; L468-I475 HydrophobicContact CB-CD1 3.75Å; L468-I475 VanDerWaalsContact O-CD1 3.31Å; L468-I475 WeakPolarHBondContact O-CD1 3.42Å |
| 469 | Q | 97.9 | Very high | 96.7 | Very high | 49 Ų | 49 | 43.9 Ų | 43.9 | 23% | 0.229 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.9 | -29.2 | 179.9 | -67.3 | 179.4 | 159.4 | 0 | 0 | 113.1 | V465 M466 L467 P478 I479 | V465-Q469 VanDerWaalsContact O-CG 3.3Å; V465-Q469 WeakPolarHBondContact O-CG 3.41Å; V465-Q469 PolarHBondContact O-N 2.9Å; M466-Q469 PolarHBondContact O-N 2.94Å; L467-Q469 PolarHBondContact O-N 3.46Å; Q469-P478 HydrophobicContact CG-CB 4.17Å; Q469-P478 VanDerWaalsContact OE1-CA 3.29Å; Q469-P478 VanDerWaalsContact OE1-CB 3.26Å; Q469-I479 PolarHBondContact OE1-O 3.13Å |
| 470 | E | 97.2 | Very high | 96.6 | Very high | 110 Ų | 110 | 46.1 Ų | 46.1 | 51% | 0.514 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -75.6 | -48.1 | 175.8 | -175.7 | 178.2 | 168.9 | 0 | 0 | 111.9 | M466 L467 L468 H544 | M466-E470 WeakPolarHBondContact O-CB 3.21Å; M466-E470 PolarHBondContact O-N 3.49Å; L467-E470 PolarHBondContact O-N 3.09Å; L468-E470 VanDerWaalsContact C-N 3.3Å; L468-E470 PolarHBondContact O-N 3.25Å; E470-H544 IonicContact OE2-CE1 3.5Å; E470-H544 PolarHBondContact OE2-CE1 3.03Å; E470-H544 VanDerWaalsContact OE2-CE1 3.31Å; E470-H544 IonicContact OE2-NE2 3.4Å |
| 471 | F | 97.4 | Very high | 96.5 | Very high | 84 Ų | 84 | 48.6 Ų | 48.6 | 37% | 0.368 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -90.9 | -16.5 | -172.3 | -69.8 | -65.6 | 0 | 0 | 0 | 114.2 | L398 Q403 L467 P473 | L398-F471 HydrophobicContact CD2-CB 4.17Å; Q403-F471 HydrophobicContact CB-CB 4.31Å; Q403-F471 HydrophobicContact CG-CB 4.15Å; L467-F471 HydrophobicContact CB-CD2 4.31Å; L467-F471 HydrophobicContact CD2-CD2 4.26Å; L467-F471 HydrophobicContact CD2-CE2 3.73Å; L467-F471 WeakPolarHBondContact O-CB 3.35Å; L467-F471 VanDerWaalsContact O-CD2 3.22Å; L467-F471 WeakPolarHBondContact O-CD2 3.36Å; L467-F471 PolarHBondContact O-N 3.44Å; F471-P473 WeakPolarHBondContact O-CD 3.11Å |
| 472 | C | 97 | Very high | 96.4 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | trans | -123.1 | 77.7 | -178.6 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | L468 S474 I475 | L468-C472 WeakPolarHBondContact O-CA 3.3Å; L468-C472 WeakPolarHBondContact O-CB 3.39Å; L468-C472 PolarHBondContact O-N 2.95Å; C472-S474 PolarHBondContact O-N 3.31Å; C472-I475 HydrophobicContact CB-CD1 3.84Å; C472-I475 HydrophobicContact CB-CG1 4.01Å; C472-I475 WeakPolarHBondContact O-CG1 3.32Å; C472-I475 PolarHBondContact O-N 2.96Å; C472-I475 VanDerWaalsContact O-N 3.08Å | ||
| 473 | P | 92.6 | Very high | 96.4 | Very high | 120 Ų | 120 | 57.8 Ų | 57.8 | 78% | 0.779 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -10.4 | -178.6 | 27 | -36 | 0 | 0 | 0 | 113.9 | F471 I475 | F471-P473 WeakPolarHBondContact O-CD 3.11Å; P473-I475 VanDerWaalsContact C-N 3.29Å |
| 474 | S | 93.8 | Very high | 96.4 | Very high | 53 Ų | 53 | 57.5 Ų | 57.5 | 37% | 0.371 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -4 | 175.7 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | H413 C472 R476 | H413-S474 PolarHBondContact CE1-O 3.02Å; H413-S474 PolarHBondContact CE1-OG 3.17Å; H413-S474 PolarHBondContact NE2-OG 2.8Å; C472-S474 PolarHBondContact O-N 3.31Å; S474-R476 PolarHBondContact O-N 3.39Å |
| 475 | I | 95.2 | Very high | 96.4 | Very high | 20 Ų | 20 | 59.9 Ų | 59.9 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | trans | -61.6 | 123.3 | 174.6 | -72.9 | 170.4 | 0 | 0 | 0 | 110 | H416 L468 C472 P473 | H416-I475 HydrophobicContact CB-CD1 4.14Å; L468-I475 HydrophobicContact CB-CD1 3.75Å; L468-I475 VanDerWaalsContact O-CD1 3.31Å; L468-I475 WeakPolarHBondContact O-CD1 3.42Å; C472-I475 HydrophobicContact CB-CD1 3.84Å; C472-I475 HydrophobicContact CB-CG1 4.01Å; C472-I475 WeakPolarHBondContact O-CG1 3.32Å; C472-I475 PolarHBondContact O-N 2.96Å; C472-I475 VanDerWaalsContact O-N 3.08Å; P473-I475 VanDerWaalsContact C-N 3.29Å | ||
| 476 | R | 84.1 | Confident | 96.4 | Very high | 229 Ų | 229 | 61.1 Ų | 61.1 | 86% | 0.864 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -79.1 | -35.3 | -170.5 | -60.8 | 178.7 | -176.8 | 173.1 | 2 | 113.9 | S474 | S474-R476 PolarHBondContact O-N 3.39Š|
| 477 | Q | 93.1 | Very high | 96.4 | Very high | 114 Ų | 114 | 60.8 Ų | 60.8 | 53% | 0.533 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -128.8 | 69.7 | -173.4 | -64.8 | -171.1 | 11.4 | 0 | 0 | 110.9 | H416 R420 | H416-Q477 PolarHBondContact CE1-O 3.16Å; H416-Q477 VanDerWaalsContact CE1-O 3.24Å; R420-Q477 WeakPolarHBondContact CD-O 3.47Å |
| 478 | P | 96.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 59.2 Ų | 59.2 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | trans | -60.2 | 146.5 | 178.2 | 26.8 | -34.6 | 0 | 0 | 0 | 111.5 | Q469 G480 | Q469-P478 HydrophobicContact CG-CB 4.17Å; Q469-P478 VanDerWaalsContact OE1-CA 3.29Å; Q469-P478 VanDerWaalsContact OE1-CB 3.26Å; P478-G480 PolarHBondContact O-N 3.35Å | ||
| 479 | I | 97.4 | Very high | 96.4 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | trans | -66.8 | 115 | 167.2 | -57.1 | -167.9 | 0 | 0 | 0 | 108.7 | R420 V465 Q469 R483 L484 | R420-I479 HydrophobicContact CB-CD1 4.03Å; R420-I479 HydrophobicContact CB-CG1 4.06Å; R420-I479 HydrophobicContact CG-CD1 4.37Å; R420-I479 HydrophobicContact CG-CG1 4.03Å; V465-I479 HydrophobicContact CB-CD1 4.48Å; V465-I479 HydrophobicContact CG1-CB 4.04Å; V465-I479 HydrophobicContact CG1-CD1 3.79Å; V465-I479 HydrophobicContact CG1-CG1 4.05Å; V465-I479 HydrophobicContact CG2-CD1 3.8Å; Q469-I479 PolarHBondContact OE1-O 3.13Å; I479-R483 HydrophobicContact CG2-CB 3.43Å; I479-R483 VanDerWaalsContact CG2-CB 3.43Å; I479-R483 HydrophobicContact CG2-CG 4.38Å; I479-L484 HydrophobicContact CB-CD2 4.34Å; I479-L484 HydrophobicContact CG2-CD2 3.96Å; I479-L484 HydrophobicContact CG2-CG 4.45Å | ||
| 480 | G | 96.9 | Very high | 96.5 | Very high | 46 Ų | 46 | 58.9 Ų | 58.9 | 47% | 0.474 | 30% | 0.304 | S | S | . | . | trans | -63.8 | 153.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P478 Q482 R483 L484 | P478-G480 PolarHBondContact O-N 3.35Å; G480-Q482 PolarHBondContact O-N 2.9Å; G480-R483 PolarHBondContact O-N 3.23Å; G480-L484 PolarHBondContact O-N 3.36Å | ||
| 481 | S | 97 | Very high | 96.6 | Very high | 54 Ų | 54 | 53.7 Ų | 53.7 | 38% | 0.378 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -53 | -35.1 | -171.5 | -44.1 | 0 | 0 | 0 | 0 | 114.4 | R483 L484 Y485 | S481-R483 VanDerWaalsContact C-N 3.28Å; S481-R483 PolarHBondContact O-N 3.42Å; S481-L484 WeakPolarHBondContact O-CA 3.28Å; S481-L484 WeakPolarHBondContact O-CB 3.45Å; S481-L484 PolarHBondContact O-N 3.25Å; S481-Y485 WeakPolarHBondContact O-CD1 3.35Å; S481-Y485 PolarHBondContact O-N 3.45Å |
| 482 | Q | 98.2 | Very high | 96.6 | Very high | 118 Ų | 118 | 50 Ų | 50 | 55% | 0.551 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -58.9 | -39.8 | 178.4 | -175 | 57 | 50.1 | 0 | 0 | 112.5 | G480 L484 Y485 D486 | G480-Q482 PolarHBondContact O-N 2.9Å; Q482-L484 VanDerWaalsContact C-N 3.33Å; Q482-Y485 WeakPolarHBondContact O-CB 3.42Å; Q482-Y485 PolarHBondContact O-N 3.31Å; Q482-D486 PolarHBondContact NE2-OD1 3.18Å; Q482-D486 VanDerWaalsContact NE2-OD1 3.15Å; Q482-D486 VanDerWaalsContact O-CG 3.24Å; Q482-D486 PolarHBondContact O-N 3.49Å |
| 483 | R | 98.6 | Very high | 96.7 | Very high | 78 Ų | 78 | 52.2 Ų | 52.2 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -72.7 | -28.5 | 177.5 | -73.2 | -177.6 | 68.6 | -167.5 | 7.7 | 112.1 | R420 Q423 I479 G480 S481 A487 | R420-R483 PolarHBondContact O-NH2 2.9Å; Q423-R483 PolarHBondContact NE2-O 3.36Å; I479-R483 HydrophobicContact CG2-CB 3.43Å; I479-R483 VanDerWaalsContact CG2-CB 3.43Å; I479-R483 HydrophobicContact CG2-CG 4.38Å; G480-R483 PolarHBondContact O-N 3.23Å; S481-R483 VanDerWaalsContact C-N 3.28Å; S481-R483 PolarHBondContact O-N 3.42Å; R483-A487 PolarHBondContact O-N 2.96Å |
| 484 | L | 98.8 | Very high | 97 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.3 | -40.9 | 169.5 | -53.8 | -179.5 | 0 | 0 | 0 | 110.4 | L462 V465 M466 I479 G480 S481 Q482 D486 A487 V488 F545 | L462-L484 HydrophobicContact CD1-CB 4.15Å; L462-L484 HydrophobicContact CD1-CD2 3.9Å; V465-L484 HydrophobicContact CG1-CD2 3.83Å; M466-L484 HydrophobicContact CG-CD1 4.49Å; I479-L484 HydrophobicContact CB-CD2 4.34Å; I479-L484 HydrophobicContact CG2-CD2 3.96Å; I479-L484 HydrophobicContact CG2-CG 4.45Å; G480-L484 PolarHBondContact O-N 3.36Å; S481-L484 WeakPolarHBondContact O-CA 3.28Å; S481-L484 WeakPolarHBondContact O-CB 3.45Å; S481-L484 PolarHBondContact O-N 3.25Å; Q482-L484 VanDerWaalsContact C-N 3.33Å; L484-D486 VanDerWaalsContact C-N 3.32Å; L484-D486 PolarHBondContact O-N 3.46Å; L484-A487 WeakPolarHBondContact O-CB 3.22Å; L484-A487 PolarHBondContact O-N 2.93Å; L484-V488 WeakPolarHBondContact O-CG2 3.15Å; L484-V488 PolarHBondContact O-N 3.26Å; L484-F545 HydrophobicContact CB-CE2 4.27Å |
| 485 | Y | 98.8 | Very high | 97.3 | Very high | 50 Ų | 50 | 48.1 Ų | 48.1 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.9 | -38.5 | 176.1 | -58.1 | -12.8 | 0 | 0 | 0 | 111.5 | S481 Q482 A487 V488 N489 F545 H549 H552 | S481-Y485 WeakPolarHBondContact O-CD1 3.35Å; S481-Y485 PolarHBondContact O-N 3.45Å; Q482-Y485 WeakPolarHBondContact O-CB 3.42Å; Q482-Y485 PolarHBondContact O-N 3.31Å; Y485-A487 VanDerWaalsContact C-N 3.34Å; Y485-A487 PolarHBondContact O-N 3.42Å; Y485-V488 PolarHBondContact O-N 3.32Å; Y485-N489 WeakPolarHBondContact O-CB 3.41Å; Y485-N489 PolarHBondContact O-N 3.16Å; Y485-N489 PolarHBondContact O-ND2 3.26Å; Y485-F545 AromaticContact CD1-CE2 3.68Å; Y485-F545 HydrophobicContact CD1-CE2 3.68Å; Y485-F545 AromaticContact CD1-CZ 3.42Å; Y485-F545 HydrophobicContact CD1-CZ 3.42Å; Y485-F545 VanDerWaalsContact CD1-CZ 3.42Å; Y485-F545 AromaticContact CE1-CE2 3.87Å; Y485-F545 HydrophobicContact CE1-CE2 3.87Å; Y485-F545 AromaticContact CE1-CZ 3.55Å; Y485-F545 HydrophobicContact CE1-CZ 3.55Å; Y485-H549 HydrophobicContact CE1-CB 4.39Å; Y485-H549 AromaticContact CE1-CG 3.96Å; Y485-H549 AromaticContact CE1-ND1 3.86Å; Y485-H549 PolarHBondContact OH-ND1 2.78Å; Y485-H552 AromaticContact CD1-CD2 3.95Å; Y485-H552 AromaticContact CD1-CG 3.95Å; Y485-H552 AromaticContact CD2-CE1 3.52Å; Y485-H552 AromaticContact CD2-ND1 3.64Å; Y485-H552 HydrophobicContact CE1-CB 4.21Å; Y485-H552 AromaticContact CE1-CG 3.96Å; Y485-H552 AromaticContact CE2-ND1 3.69Å; Y485-H552 AromaticContact CG-CE1 3.51Å; Y485-H552 AromaticContact CG-ND1 3.81Å; Y485-H552 AromaticContact CG-NE2 3.73Å; Y485-H552 AromaticContact CZ-ND1 3.92Å |
| 486 | D | 98.9 | Very high | 97.4 | Very high | 26 Ų | 26 | 48.3 Ų | 48.3 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | 175.4 | -65.4 | -19.8 | 0 | 0 | 0 | 111.6 | Q482 L484 N489 V490 | Q482-D486 PolarHBondContact NE2-OD1 3.18Å; Q482-D486 VanDerWaalsContact NE2-OD1 3.15Å; Q482-D486 VanDerWaalsContact O-CG 3.24Å; Q482-D486 PolarHBondContact O-N 3.49Å; L484-D486 VanDerWaalsContact C-N 3.32Å; L484-D486 PolarHBondContact O-N 3.46Å; D486-N489 WeakPolarHBondContact O-CB 3.39Å; D486-N489 PolarHBondContact O-N 3.18Å; D486-V490 PolarHBondContact O-N 2.8Å |
| 487 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G441 T458 L462 R483 L484 Y485 N489 V490 L491 | G441-A487 VanDerWaalsContact O-CA 3.32Å; G441-A487 WeakPolarHBondContact O-CA 3.15Å; G441-A487 VanDerWaalsContact O-CB 3.23Å; G441-A487 WeakPolarHBondContact O-CB 3.5Å; T458-A487 HydrophobicContact CG2-CB 4.23Å; L462-A487 HydrophobicContact CB-CB 4.43Å; L462-A487 HydrophobicContact CD1-CB 4.22Å; L462-A487 HydrophobicContact CD2-CB 4.36Å; R483-A487 PolarHBondContact O-N 2.96Å; L484-A487 WeakPolarHBondContact O-CB 3.22Å; L484-A487 PolarHBondContact O-N 2.93Å; Y485-A487 VanDerWaalsContact C-N 3.34Å; Y485-A487 PolarHBondContact O-N 3.42Å; A487-N489 VanDerWaalsContact C-N 3.29Å; A487-N489 PolarHBondContact O-N 3.24Å; A487-V490 WeakPolarHBondContact O-CB 3.45Å; A487-V490 PolarHBondContact O-N 3.06Å; A487-L491 PolarHBondContact O-N 2.98Å |
| 488 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -38.8 | 174 | 171 | 0 | 0 | 0 | 0 | 111.2 | L462 L484 Y485 V490 L491 L492 L542 F545 I557 | L462-V488 HydrophobicContact CD2-CG2 3.71Å; L484-V488 WeakPolarHBondContact O-CG2 3.15Å; L484-V488 PolarHBondContact O-N 3.26Å; Y485-V488 PolarHBondContact O-N 3.32Å; V488-V490 VanDerWaalsContact C-N 3.34Å; V488-V490 PolarHBondContact O-N 2.99Å; V488-L491 PolarHBondContact O-N 2.99Å; V488-L492 HydrophobicContact CG1-CD1 3.77Å; V488-L492 HydrophobicContact CG1-CG 4.13Å; V488-L492 WeakPolarHBondContact O-CG 3.41Å; V488-L492 PolarHBondContact O-N 2.81Å; V488-L542 HydrophobicContact CB-CD2 4.49Å; V488-L542 HydrophobicContact CG1-CD2 3.92Å; V488-L542 HydrophobicContact CG2-CD2 4.25Å; V488-F545 HydrophobicContact CG1-CE1 4.37Å; V488-F545 HydrophobicContact CG2-CB 4.41Å; V488-F545 HydrophobicContact CG2-CD1 3.8Å; V488-F545 HydrophobicContact CG2-CD2 3.6Å; V488-F545 HydrophobicContact CG2-CE1 3.92Å; V488-F545 HydrophobicContact CG2-CE2 3.72Å; V488-F545 HydrophobicContact CG2-CG 3.64Å; V488-F545 HydrophobicContact CG2-CZ 3.88Å; V488-I557 HydrophobicContact CG1-CD1 4.19Å |
| 489 | N | 98.8 | Very high | 98.5 | Very high | 42 Ų | 42 | 43.3 Ų | 43.3 | 23% | 0.225 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 177.3 | -68.7 | -29.9 | 0 | 0 | 0 | 112 | M438 Y485 D486 A487 S493 R553 | M438-N489 HydrophobicContact CE-CB 4.28Å; M438-N489 WeakPolarHBondContact CE-O 3.39Å; Y485-N489 WeakPolarHBondContact O-CB 3.41Å; Y485-N489 PolarHBondContact O-N 3.16Å; Y485-N489 PolarHBondContact O-ND2 3.26Å; D486-N489 WeakPolarHBondContact O-CB 3.39Å; D486-N489 PolarHBondContact O-N 3.18Å; A487-N489 VanDerWaalsContact C-N 3.29Å; A487-N489 PolarHBondContact O-N 3.24Å; N489-S493 WeakPolarHBondContact O-CB 3.14Å; N489-S493 PolarHBondContact O-N 3.46Å; N489-R553 PolarHBondContact OD1-NH1 3.13Å |
| 490 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.8 | -53.4 | 172 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | M438 K440 I453 T458 D486 A487 V488 L492 S493 M494 | M438-V490 HydrophobicContact CE-CG2 4.08Å; K440-V490 WeakPolarHBondContact O-CG2 3.39Å; I453-V490 HydrophobicContact CD1-CG1 3.82Å; I453-V490 HydrophobicContact CG1-CG1 4.34Å; T458-V490 HydrophobicContact CG2-CB 4.44Å; T458-V490 HydrophobicContact CG2-CG1 4.32Å; D486-V490 PolarHBondContact O-N 2.8Å; A487-V490 WeakPolarHBondContact O-CB 3.45Å; A487-V490 PolarHBondContact O-N 3.06Å; V488-V490 VanDerWaalsContact C-N 3.34Å; V488-V490 PolarHBondContact O-N 2.99Å; V490-L492 PolarHBondContact O-N 2.81Å; V490-S493 WeakPolarHBondContact O-CB 3.43Å; V490-S493 PolarHBondContact O-N 2.93Å; V490-S493 VanDerWaalsContact O-N 3.13Å; V490-S493 PolarHBondContact O-OG 3.24Å; V490-M494 HydrophobicContact CG1-SD 3.88Å; V490-M494 WeakPolarHBondContact O-CG 3.24Å; V490-M494 PolarHBondContact O-N 2.92Å |
| 491 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.7 | -50.5 | 178.9 | -63.7 | 177.7 | 0 | 0 | 0 | 111.7 | A455 T458 A459 L462 A487 V488 S493 M494 F501 L542 | A455-L491 HydrophobicContact CB-CD2 4.45Å; A455-L491 VanDerWaalsContact O-CD2 3.24Å; A455-L491 WeakPolarHBondContact O-CD2 3.24Å; T458-L491 HydrophobicContact CG2-CD2 4.03Å; T458-L491 HydrophobicContact CG2-CG 4.05Å; A459-L491 HydrophobicContact CB-CD1 4.25Å; A459-L491 HydrophobicContact CB-CD2 4.36Å; L462-L491 HydrophobicContact CD2-CD1 4.45Å; A487-L491 PolarHBondContact O-N 2.98Å; V488-L491 PolarHBondContact O-N 2.99Å; L491-S493 PolarHBondContact O-N 3.29Å; L491-M494 PolarHBondContact O-N 2.85Å; L491-F501 HydrophobicContact CB-CE1 4.34Å; L491-F501 WeakPolarHBondContact O-CE1 3.49Å; L491-L542 HydrophobicContact CB-CD2 4.46Å; L491-L542 HydrophobicContact CD1-CD2 4.1Å; L491-L542 HydrophobicContact CD1-CG 4.14Å |
| 492 | L | 98.9 | Very high | 98.7 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.4 | -28 | -179.9 | -66.4 | 178.1 | 0 | 0 | 0 | 112.9 | V488 V490 M494 R495 L542 R553 E556 I557 T560 | V488-L492 HydrophobicContact CG1-CD1 3.77Å; V488-L492 HydrophobicContact CG1-CG 4.13Å; V488-L492 WeakPolarHBondContact O-CG 3.41Å; V488-L492 PolarHBondContact O-N 2.81Å; V490-L492 PolarHBondContact O-N 2.81Å; L492-M494 PolarHBondContact O-N 3.24Å; L492-R495 WeakPolarHBondContact O-CD 3.48Å; L492-R495 WeakPolarHBondContact O-CG 3.44Å; L492-L542 HydrophobicContact CD2-CD1 4.36Å; L492-R553 HydrophobicContact CD1-CB 4.32Å; L492-R553 VanDerWaalsContact CD1-CZ 3.43Å; L492-E556 HydrophobicContact CD1-CG 4.47Å; L492-E556 HydrophobicContact CD2-CG 4.26Å; L492-I557 HydrophobicContact CD1-CG1 4.22Å; L492-I557 HydrophobicContact CD2-CG1 4.33Å; L492-T560 HydrophobicContact CD2-CG2 4.43Å |
| 493 | S | 98.8 | Very high | 98.7 | Very high | 47 Ų | 47 | 32.9 Ų | 32.9 | 33% | 0.329 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -73 | -12.7 | 173.5 | 81.3 | 0 | 0 | 0 | 0 | 114.3 | Q437 N489 V490 L491 | Q437-S493 PolarHBondContact NE2-O 3.02Å; Q437-S493 PolarHBondContact NE2-OG 2.94Å; N489-S493 WeakPolarHBondContact O-CB 3.14Å; N489-S493 PolarHBondContact O-N 3.46Å; V490-S493 WeakPolarHBondContact O-CB 3.43Å; V490-S493 PolarHBondContact O-N 2.93Å; V490-S493 VanDerWaalsContact O-N 3.13Å; V490-S493 PolarHBondContact O-OG 3.24Å; L491-S493 PolarHBondContact O-N 3.29Å |
| 494 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 10.1 | -176.6 | -64.2 | 174.2 | 75.1 | 0 | 0 | 113.6 | Q437 I453 A455 V490 L491 L492 N496 F501 T503 Y504 E505 | Q437-M494 HydrophobicContact CG-CG 4.08Å; Q437-M494 HydrophobicContact CG-SD 4.35Å; I453-M494 HydrophobicContact CD1-CE 4.37Å; I453-M494 HydrophobicContact CD1-SD 3.96Å; A455-M494 HydrophobicContact CB-CE 3.74Å; A455-M494 HydrophobicContact CB-SD 4.25Å; V490-M494 HydrophobicContact CG1-SD 3.88Å; V490-M494 WeakPolarHBondContact O-CG 3.24Å; V490-M494 PolarHBondContact O-N 2.92Å; L491-M494 PolarHBondContact O-N 2.85Å; L492-M494 PolarHBondContact O-N 3.24Å; M494-N496 PolarHBondContact O-ND2 3.48Å; M494-F501 HydrophobicContact CB-CD1 4.26Å; M494-F501 HydrophobicContact CB-CE1 4.35Å; M494-T503 WeakPolarHBondContact CE-O 3.49Å; M494-Y504 WeakPolarHBondContact CE-O 3.39Å; M494-E505 WeakPolarHBondContact CE-O 3.22Å |
| 495 | R | 98.8 | Very high | 98.8 | Very high | 87 Ų | 87 | 30 Ų | 30 | 33% | 0.328 | 14% | 0.135 | S | C | . | . | trans | -61.2 | 142.7 | 174.4 | -68 | 170.8 | 66.1 | -163.4 | 3.5 | 111.4 | L492 F501 E556 T560 D563 | L492-R495 WeakPolarHBondContact O-CD 3.48Å; L492-R495 WeakPolarHBondContact O-CG 3.44Å; R495-F501 HydrophobicContact CG-CZ 4.16Å; R495-E556 IonicContact NH1-OE1 2.8Å; R495-T560 WeakPolarHBondContact CD-OG1 3.34Å; R495-T560 HydrophobicContact CG-CG2 4.14Å; R495-T560 PolarHBondContact NE-OG1 3.29Å; R495-D563 IonicContact NH2-OD2 3.93Å; R495-D563 PolarHBondContact NH2-OD2 2.62Å | ||
| 496 | N | 98.8 | Very high | 98.8 | Very high | 24 Ų | 24 | 29 Ų | 29 | 13% | 0.128 | 14% | 0.135 | C | C | . | . | trans | -115.9 | 161 | 176.5 | -63.5 | -81.9 | 0 | 0 | 0 | 112.1 | M494 D498 G499 G500 T506 K507 T530 | M494-N496 PolarHBondContact O-ND2 3.48Å; N496-D498 WeakPolarHBondContact CB-OD1 3.36Å; N496-D498 PolarHBondContact O-N 2.87Å; N496-G499 PolarHBondContact O-N 2.71Å; N496-G500 WeakPolarHBondContact CB-O 2.81Å; N496-G500 PolarHBondContact ND2-O 2.95Å; N496-T506 WeakPolarHBondContact OD1-CB 3.23Å; N496-K507 PolarHBondContact OD1-N 3.12Å; N496-T530 HydrophobicContact CB-CG2 3.92Å | ||
| 497 | R | 98 | Very high | 98.7 | Very high | 265 Ų | 265 | 30 Ų | 30 | 100% | 1 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.2 | -179.4 | -68.3 | -175.6 | 179.7 | -179.4 | 0.6 | 113.9 | G499 | R497-G499 VanDerWaalsContact C-N 3.34Š|
| 498 | D | 98.4 | Very high | 98.7 | Very high | 41 Ų | 41 | 33.3 Ų | 33.3 | 22% | 0.219 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 14.3 | 176.8 | 66.4 | -18.2 | 0 | 0 | 0 | 113 | N496 G500 K507 T530 F567 R570 | N496-D498 WeakPolarHBondContact CB-OD1 3.36Å; N496-D498 PolarHBondContact O-N 2.87Å; D498-G500 PolarHBondContact O-N 3.41Å; D498-G500 VanDerWaalsContact O-N 3.12Å; D498-K507 VanDerWaalsContact CG-NZ 3.34Å; D498-K507 IonicContact OD1-NZ 2.78Å; D498-K507 IonicContact OD2-NZ 3.31Å; D498-K507 PolarHBondContact OD2-NZ 2.8Å; D498-T530 PolarHBondContact OD2-OG1 3.08Å; D498-T530 VanDerWaalsContact OD2-OG1 3.06Å; D498-F567 WeakPolarHBondContact O-CB 3.14Å; D498-F567 WeakPolarHBondContact O-CD2 3.39Å; D498-R570 PolarHBondContact O-NH2 2.87Å |
| 499 | G | 98.6 | Very high | 98.7 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 11% | 0.113 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 76.1 | -12 | 176 | 0 | 0 | 0 | 0 | 0 | 115.4 | N496 R497 G564 | N496-G499 PolarHBondContact O-N 2.71Å; R497-G499 VanDerWaalsContact C-N 3.34Å; G499-G564 WeakPolarHBondContact O-CA 3.17Å |
| 500 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -82.4 | 165 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N496 D498 T535 | N496-G500 WeakPolarHBondContact CB-O 2.81Å; N496-G500 PolarHBondContact ND2-O 2.95Å; D498-G500 PolarHBondContact O-N 3.41Å; D498-G500 VanDerWaalsContact O-N 3.12Å; G500-T535 WeakPolarHBondContact CA-OG1 3.45Å | ||
| 501 | F | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -107.2 | 139.4 | 170.6 | -77.2 | -104.8 | 0 | 0 | 0 | 110.1 | A455 L491 M494 R495 T530 Y531 C534 T535 A538 T560 | A455-F501 HydrophobicContact CB-CB 4.43Å; A455-F501 HydrophobicContact CB-CD1 4.18Å; L491-F501 HydrophobicContact CB-CE1 4.34Å; L491-F501 WeakPolarHBondContact O-CE1 3.49Å; M494-F501 HydrophobicContact CB-CD1 4.26Å; M494-F501 HydrophobicContact CB-CE1 4.35Å; R495-F501 HydrophobicContact CG-CZ 4.16Å; F501-T530 CarbonylContact O-C 3.15Å; F501-T530 VanDerWaalsContact O-CA 3.27Å; F501-T530 WeakPolarHBondContact O-CA 3.42Å; F501-Y531 PolarHBondContact O-N 2.9Å; F501-C534 HydrophobicContact CB-CB 4.13Å; F501-T535 HydrophobicContact CD2-CG2 4.31Å; F501-T535 PolarHBondContact N-OG1 3.02Å; F501-A538 HydrophobicContact CD1-CB 3.95Å; F501-A538 HydrophobicContact CD2-CB 3.95Å; F501-A538 HydrophobicContact CE1-CB 3.98Å; F501-A538 HydrophobicContact CE2-CB 4.01Å; F501-A538 HydrophobicContact CG-CB 3.92Å; F501-A538 HydrophobicContact CZ-CB 4.02Å; F501-T560 HydrophobicContact CE2-CG2 3.72Å; F501-T560 HydrophobicContact CZ-CG2 3.69Å |
| 502 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -92.5 | -165.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A455 D528 Y529 T530 C534 | A455-A502 WeakPolarHBondContact CB-O 3.46Å; A502-D528 HydrophobicContact CB-CB 4.14Å; A502-D528 WeakPolarHBondContact CB-OD1 3.44Å; A502-Y529 WeakPolarHBondContact CA-O 3.24Å; A502-Y529 WeakPolarHBondContact CB-O 3.26Å; A502-T530 HydrophobicContact CB-CG2 4.39Å; A502-C534 WeakPolarHBondContact O-CB 3.36Å | ||
| 503 | T | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -83.9 | -90.1 | -179.4 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | W231 V454 A455 M494 D528 Y531 W582 | W231-T503 PolarHBondContact NE1-OG1 2.86Å; V454-T503 CarbonylContact C-O 3.49Å; V454-T503 WeakPolarHBondContact CA-O 3.37Å; V454-T503 VanDerWaalsContact CG1-C 3.49Å; V454-T503 VanDerWaalsContact CG1-O 3.31Å; V454-T503 WeakPolarHBondContact CG1-O 3.48Å; A455-T503 PolarHBondContact N-O 2.92Å; M494-T503 WeakPolarHBondContact CE-O 3.49Å; T503-D528 PolarHBondContact N-OD1 3.45Å; T503-D528 VanDerWaalsContact OG1-CG 3.23Å; T503-D528 PolarHBondContact OG1-OD1 3.38Å; T503-D528 PolarHBondContact OG1-OD2 3.1Å; T503-Y531 HydrophobicContact CG2-CD2 4.09Å; T503-Y531 HydrophobicContact CG2-CE2 3.99Å; T503-W582 HydrophobicContact CG2-CH2 3.93Å; T503-W582 HydrophobicContact CG2-CZ2 3.26Å |
| 504 | Y | 98.8 | Very high | 98.5 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 9% | 0.09 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -85.6 | -24.6 | -172.1 | -66.1 | -98.3 | 0 | 0 | 0 | 112.1 | C232 H233 I336 W452 I453 V454 M494 D528 | C232-Y504 VanDerWaalsContact SG-CB 3.56Å; C232-Y504 WeakPolarHBondContact SG-CD2 3.32Å; C232-Y504 VanDerWaalsContact SG-CG 3.52Å; H233-Y504 AromaticContact CD2-CE2 3.53Å; H233-Y504 AromaticContact NE2-CE2 3.34Å; H233-Y504 VanDerWaalsContact NE2-CE2 3.34Å; H233-Y504 WeakPolarHBondContact NE2-CE2 3.47Å; H233-Y504 AromaticContact NE2-CZ 3.39Å; H233-Y504 PolarHBondContact NE2-OH 2.69Å; I336-Y504 HydrophobicContact CD1-CD1 4.03Å; I336-Y504 HydrophobicContact CD1-CD2 4.41Å; I336-Y504 HydrophobicContact CD1-CE1 3.88Å; I336-Y504 HydrophobicContact CD1-CE2 4.31Å; I336-Y504 HydrophobicContact CD1-CG 4.3Å; I336-Y504 HydrophobicContact CG1-CE1 4Å; W452-Y504 HydrophobicContact CB-CD1 4.01Å; W452-Y504 HydrophobicContact CB-CE1 3.93Å; W452-Y504 HydrophobicContact CE3-CD1 4.2Å; I453-Y504 WeakPolarHBondContact O-CA 3.49Å; I453-Y504 WeakPolarHBondContact O-CD1 2.97Å; V454-Y504 HydrophobicContact CG2-CD1 3.83Å; V454-Y504 HydrophobicContact CG2-CE1 3.55Å; V454-Y504 HydrophobicContact CG2-CG 4.43Å; M494-Y504 WeakPolarHBondContact CE-O 3.39Å; Y504-D528 PolarHBondContact N-OD2 2.84Å; Y504-D528 VanDerWaalsContact N-OD2 3.14Å |
| 505 | E | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -139.4 | -149 | -170.1 | -49.6 | -169.5 | 126.9 | 0 | 0 | 111.2 | R235 Q437 M494 R508 D528 | R235-E505 IonicContact CZ-OE1 3.88Å; R235-E505 IonicContact CZ-OE2 3.41Å; R235-E505 VanDerWaalsContact CZ-OE2 3.27Å; R235-E505 IonicContact NH1-OE1 2.68Å; R235-E505 IonicContact NH1-OE2 3.31Å; R235-E505 PolarHBondContact NH1-OE2 3.22Å; R235-E505 IonicContact NH2-OE1 3.24Å; R235-E505 PolarHBondContact NH2-OE1 3.01Å; R235-E505 IonicContact NH2-OE2 3.08Å; R235-E505 PolarHBondContact NH2-OE2 3.45Å; Q437-E505 HydrophobicContact CB-CG 4.13Å; M494-E505 WeakPolarHBondContact CE-O 3.22Å; E505-R508 IonicContact OE1-CZ 3Å; E505-R508 VanDerWaalsContact OE1-CZ 3.31Å; E505-R508 IonicContact OE1-NH1 2.62Å; E505-R508 PolarHBondContact OE1-NH1 3.3Å; E505-R508 IonicContact OE1-NH2 3.06Å; E505-R508 PolarHBondContact OE1-NH2 2.79Å; E505-R508 IonicContact OE2-CZ 3.57Å; E505-R508 VanDerWaalsContact OE2-CZ 3.24Å; E505-R508 IonicContact OE2-NE 3.28Å; E505-R508 IonicContact OE2-NH1 2.74Å; E505-R508 PolarHBondContact OE2-NH1 3.44Å; E505-R508 IonicContact OE2-NH2 3.47Å; E505-R508 PolarHBondContact OE2-NH2 2.83Å; E505-D528 PolarHBondContact N-OD2 2.64Å |
| 506 | T | 98.8 | Very high | 98.4 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | trans | -108.5 | 164.5 | 170.3 | 53.3 | 0 | 0 | 0 | 0 | 109.6 | N496 R508 | N496-T506 WeakPolarHBondContact OD1-CB 3.23Å; T506-R508 VanDerWaalsContact C-N 3.26Å; T506-R508 WeakPolarHBondContact O-CG 3.35Å; T506-R508 PolarHBondContact O-N 2.83Å | ||
| 507 | K | 98.5 | Very high | 98.4 | Very high | 46 Ų | 46 | 47.9 Ų | 47.9 | 20% | 0.2 | 24% | 0.236 | C | C | . | . | trans | -73 | 83.1 | 170.7 | -172.9 | 166.7 | 60.3 | -155.5 | 0 | 110.1 | N496 D498 I527 D528 T530 | N496-K507 PolarHBondContact OD1-N 3.12Å; D498-K507 VanDerWaalsContact CG-NZ 3.34Å; D498-K507 IonicContact OD1-NZ 2.78Å; D498-K507 IonicContact OD2-NZ 3.31Å; D498-K507 PolarHBondContact OD2-NZ 2.8Å; K507-I527 HydrophobicContact CD-CD1 3.98Å; K507-I527 HydrophobicContact CG-CD1 3.97Å; K507-D528 VanDerWaalsContact CA-O 3.31Å; K507-D528 WeakPolarHBondContact CA-O 3.47Å; K507-D528 VanDerWaalsContact CB-O 3.28Å; K507-D528 WeakPolarHBondContact CB-O 3.49Å; K507-T530 HydrophobicContact CB-CG2 4.43Å; K507-T530 PolarHBondContact NZ-OG1 2.99Å | ||
| 508 | R | 98.5 | Very high | 98.4 | Very high | 71 Ų | 71 | 35.8 Ų | 35.8 | 27% | 0.268 | 19% | 0.192 | S | C | . | . | trans | -75.8 | -30.6 | -174.5 | -67 | 173.3 | -174.2 | 170.9 | 5.7 | 113.3 | S228 T229 Y435 E505 T506 | S228-R508 WeakPolarHBondContact O-CD 3.46Å; S228-R508 PolarHBondContact O-NH1 2.76Å; T229-R508 HydrophobicContact CG2-CB 4.48Å; Y435-R508 PolarHBondContact O-NH1 2.88Å; Y435-R508 PolarHBondContact O-NH2 3.16Å; E505-R508 IonicContact OE1-CZ 3Å; E505-R508 VanDerWaalsContact OE1-CZ 3.31Å; E505-R508 IonicContact OE1-NH1 2.62Å; E505-R508 PolarHBondContact OE1-NH1 3.3Å; E505-R508 IonicContact OE1-NH2 3.06Å; E505-R508 PolarHBondContact OE1-NH2 2.79Å; E505-R508 IonicContact OE2-CZ 3.57Å; E505-R508 VanDerWaalsContact OE2-CZ 3.24Å; E505-R508 IonicContact OE2-NE 3.28Å; E505-R508 IonicContact OE2-NH1 2.74Å; E505-R508 PolarHBondContact OE2-NH1 3.44Å; E505-R508 IonicContact OE2-NH2 3.47Å; E505-R508 PolarHBondContact OE2-NH2 2.83Å; T506-R508 VanDerWaalsContact C-N 3.26Å; T506-R508 WeakPolarHBondContact O-CG 3.35Å; T506-R508 PolarHBondContact O-N 2.83Å | ||
| 509 | G | 97.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 12% | 0.124 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -103.7 | 162.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T229 | T229-G509 PolarHBondContact O-N 2.76Š|
| 510 | G | 97.2 | Very high | 98.4 | Very high | 48 Ų | 48 | 33.5 Ų | 33.5 | 50% | 0.495 | 18% | 0.177 | S | C | . | . | trans | -82.8 | 151.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L512 L513 | G510-L512 PolarHBondContact O-N 2.71Å; G510-L512 VanDerWaalsContact O-N 3.08Å; G510-L513 WeakPolarHBondContact O-CB 3.39Å; G510-L513 WeakPolarHBondContact O-CG 3.42Å; G510-L513 PolarHBondContact O-N 3.35Å | ||
| 511 | K | 97.8 | Very high | 98.3 | Very high | 143 Ų | 143 | 33.7 Ų | 33.7 | 62% | 0.622 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | -56.3 | -27.2 | -178.6 | -65.8 | -173.6 | 177.6 | -173.9 | 0 | 114.5 | L513 E514 I527 Y529 | K511-L513 PolarHBondContact O-N 2.69Å; K511-L513 VanDerWaalsContact O-N 3.16Å; K511-E514 WeakPolarHBondContact O-CB 3.25Å; K511-E514 PolarHBondContact O-N 3.23Å; K511-E514 VanDerWaalsContact O-N 3.15Å; K511-I527 HydrophobicContact CG-CD1 4.34Å; K511-Y529 HydrophobicContact CG-CE1 4.47Å |
| 512 | L | 98.3 | Very high | 98.3 | Very high | 138 Ų | 138 | 34 Ų | 34 | 72% | 0.723 | 18% | 0.179 | S | C | * | . | G | 310 helix | trans | -63 | -18.1 | 177.5 | -66.7 | 178.4 | 0 | 0 | 0 | 113.2 | G510 E514 L515 | G510-L512 PolarHBondContact O-N 2.71Å; G510-L512 VanDerWaalsContact O-N 3.08Å; L512-E514 PolarHBondContact O-N 3.25Å; L512-L515 HydrophobicContact CD2-CD1 4.26Å; L512-L515 VanDerWaalsContact O-CB 3.32Å; L512-L515 WeakPolarHBondContact O-CB 3.11Å; L512-L515 WeakPolarHBondContact O-CG 3.37Å; L512-L515 PolarHBondContact O-N 3.06Å; L512-L515 VanDerWaalsContact O-N 3.13Å |
| 513 | L | 98.4 | Very high | 98.2 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 10% | 0.099 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -63.1 | -21.8 | 174.8 | -66.8 | 178 | 0 | 0 | 0 | 112.7 | A225 L230 G510 K511 L515 L516 M526 I527 | A225-L513 HydrophobicContact CB-CD2 3.77Å; L230-L513 HydrophobicContact CD2-CD1 4.16Å; G510-L513 WeakPolarHBondContact O-CB 3.39Å; G510-L513 WeakPolarHBondContact O-CG 3.42Å; G510-L513 PolarHBondContact O-N 3.35Å; K511-L513 PolarHBondContact O-N 2.69Å; K511-L513 VanDerWaalsContact O-N 3.16Å; L513-L515 PolarHBondContact O-N 3.32Å; L513-L516 HydrophobicContact CD2-CD1 4.23Å; L513-L516 WeakPolarHBondContact O-CB 3.35Å; L513-L516 PolarHBondContact O-N 3.34Å; L513-M526 HydrophobicContact CB-CB 4.2Å; L513-M526 WeakPolarHBondContact O-CG 3.4Å; L513-I527 HydrophobicContact CB-CG2 4.11Å; L513-I527 HydrophobicContact CD1-CG2 3.75Å; L513-I527 HydrophobicContact CG-CG2 4.49Å |
| 514 | E | 98.5 | Very high | 98.2 | Very high | 32 Ų | 32 | 35.8 Ų | 35.8 | 15% | 0.15 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -62.8 | -23.7 | 174.7 | -160.2 | 56.6 | -144.4 | 0 | 0 | 112.9 | K511 L512 L516 N517 D524 I525 M526 Y529 | K511-E514 WeakPolarHBondContact O-CB 3.25Å; K511-E514 PolarHBondContact O-N 3.23Å; K511-E514 VanDerWaalsContact O-N 3.15Å; L512-E514 PolarHBondContact O-N 3.25Å; E514-L516 PolarHBondContact O-N 3.25Å; E514-L516 VanDerWaalsContact O-N 3.09Å; E514-N517 VanDerWaalsContact O-CB 3.25Å; E514-N517 WeakPolarHBondContact O-CB 3.29Å; E514-N517 PolarHBondContact O-N 2.97Å; E514-N517 WeakPolarHBondContact OE1-CB 3.47Å; E514-N517 PolarHBondContact OE1-ND2 3.21Å; E514-D524 VanDerWaalsContact CD-CA 3.43Å; E514-D524 VanDerWaalsContact OE1-CA 3.28Å; E514-D524 WeakPolarHBondContact OE1-CA 3.24Å; E514-D524 PolarHBondContact OE1-N 2.86Å; E514-D524 WeakPolarHBondContact OE2-CA 3.18Å; E514-I525 PolarHBondContact OE1-N 2.98Å; E514-I525 PolarHBondContact OE2-N 3Å; E514-M526 WeakPolarHBondContact OE2-CB 3.15Å; E514-M526 PolarHBondContact OE2-N 3.4Å; E514-Y529 WeakPolarHBondContact CB-OH 3.45Å; E514-Y529 WeakPolarHBondContact CG-OH 3.41Å; E514-Y529 PolarHBondContact OE2-OH 2.71Å |
| 515 | L | 98.4 | Very high | 98.1 | Very high | 78 Ų | 78 | 35 Ų | 35 | 41% | 0.408 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -62.5 | -15.9 | 171.8 | -63.1 | 174.8 | 0 | 0 | 0 | 112.3 | S291 L293 L294 L512 L513 | S291-L515 WeakPolarHBondContact CB-O 3.38Å; S291-L515 PolarHBondContact OG-O 3.06Å; L293-L515 HydrophobicContact CB-CB 4.42Å; L293-L515 HydrophobicContact CD2-CB 3.92Å; L293-L515 HydrophobicContact CD2-CD1 4.16Å; L294-L515 WeakPolarHBondContact CB-O 3.32Å; L512-L515 HydrophobicContact CD2-CD1 4.26Å; L512-L515 VanDerWaalsContact O-CB 3.32Å; L512-L515 WeakPolarHBondContact O-CB 3.11Å; L512-L515 WeakPolarHBondContact O-CG 3.37Å; L512-L515 PolarHBondContact O-N 3.06Å; L512-L515 VanDerWaalsContact O-N 3.13Å; L513-L515 PolarHBondContact O-N 3.32Å |
| 516 | L | 98.4 | Very high | 98.1 | Very high | 40 Ų | 40 | 35.5 Ų | 35.5 | 21% | 0.209 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -99 | 9.4 | 176.8 | -56.6 | 177.3 | 0 | 0 | 0 | 113.1 | A225 L293 L294 L513 E514 P518 M526 | A225-L516 HydrophobicContact CB-CD1 3.86Å; L293-L516 HydrophobicContact CD2-CD2 3.92Å; L293-L516 HydrophobicContact CD2-CG 4.47Å; L293-L516 HydrophobicContact CG-CD2 3.93Å; L294-L516 HydrophobicContact CD1-CD2 4.4Å; L513-L516 HydrophobicContact CD2-CD1 4.23Å; L513-L516 WeakPolarHBondContact O-CB 3.35Å; L513-L516 PolarHBondContact O-N 3.34Å; E514-L516 PolarHBondContact O-N 3.25Å; E514-L516 VanDerWaalsContact O-N 3.09Å; L516-P518 WeakPolarHBondContact O-CD 3.25Å; L516-P518 VanDerWaalsContact O-N 3.15Å; L516-M526 HydrophobicContact CB-CE 4.04Å |
| 517 | N | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | trans | -61.3 | 111.5 | 176.8 | 178.5 | -8.8 | 0 | 0 | 0 | 110.8 | T288 L294 E514 S519 F522 I525 M526 | T288-N517 HydrophobicContact CG2-CB 4.33Å; L294-N517 WeakPolarHBondContact CD2-O 3.4Å; E514-N517 VanDerWaalsContact O-CB 3.25Å; E514-N517 WeakPolarHBondContact O-CB 3.29Å; E514-N517 PolarHBondContact O-N 2.97Å; E514-N517 WeakPolarHBondContact OE1-CB 3.47Å; E514-N517 PolarHBondContact OE1-ND2 3.21Å; N517-S519 WeakPolarHBondContact OD1-CB 3.21Å; N517-S519 PolarHBondContact OD1-N 3.04Å; N517-S519 PolarHBondContact OD1-OG 3.43Å; N517-F522 PolarHBondContact ND2-O 3.3Å; N517-I525 HydrophobicContact CB-CG1 4.41Å; N517-I525 WeakPolarHBondContact OD1-CD1 3.33Å; N517-M526 HydrophobicContact CB-CG 3.87Å; N517-M526 HydrophobicContact CB-SD 4.27Å | ||
| 518 | P | 98.2 | Very high | 98.1 | Very high | 12 Ų | 12 | 32 Ų | 32 | 8% | 0.078 | 17% | 0.172 | C | C | . | . | trans | -103.3 | 9.2 | -176.1 | 33.7 | -19.5 | 0 | 0 | 0 | 112.9 | S192 Y238 L294 Y298 L516 E520 | S192-P518 PolarHBondContact OG-O 3.39Å; Y238-P518 HydrophobicContact CE1-CG 4.28Å; L294-P518 HydrophobicContact CD2-CB 3.96Å; Y298-P518 HydrophobicContact CE2-CB 4Å; Y298-P518 WeakPolarHBondContact OH-CB 3.39Å; L516-P518 WeakPolarHBondContact O-CD 3.25Å; L516-P518 VanDerWaalsContact O-N 3.15Å; P518-E520 VanDerWaalsContact O-OE1 3.06Å | ||
| 519 | S | 96.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -80.7 | -17.7 | -170.1 | 66.8 | 0 | 0 | 0 | 0 | 114.4 | N517 V521 F522 I525 | N517-S519 WeakPolarHBondContact OD1-CB 3.21Å; N517-S519 PolarHBondContact OD1-N 3.04Å; N517-S519 PolarHBondContact OD1-OG 3.43Å; S519-V521 PolarHBondContact O-N 2.89Å; S519-F522 PolarHBondContact OG-N 3.48Å; S519-F522 PolarHBondContact OG-O 3.32Å; S519-I525 WeakPolarHBondContact OG-CD1 3.47Å | ||
| 520 | E | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.019 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 61.8 | -40.2 | -177.3 | -57.2 | 100.8 | 178.8 | 0 | 0 | 116.4 | S192 V281 L286 Y287 T288 H290 P518 | S192-E520 WeakPolarHBondContact CB-OE2 3.2Å; S192-E520 PolarHBondContact N-OE2 3.47Å; S192-E520 PolarHBondContact OG-OE2 3.49Å; V281-E520 HydrophobicContact CG1-CB 4.39Å; V281-E520 HydrophobicContact CG2-CG 4.16Å; L286-E520 HydrophobicContact CD1-CB 3.8Å; L286-E520 HydrophobicContact CD1-CG 4.11Å; Y287-E520 PolarHBondContact N-O 2.77Å; T288-E520 PolarHBondContact N-O 2.85Å; T288-E520 WeakPolarHBondContact O-CA 3.22Å; H290-E520 IonicContact CD2-OE1 3.76Å; H290-E520 IonicContact CE1-OE1 2.85Å; H290-E520 PolarHBondContact CE1-OE1 3.38Å; H290-E520 IonicContact NE2-OE1 3.41Å; H290-E520 PolarHBondContact NE2-OE1 3.09Å; P518-E520 VanDerWaalsContact O-OE1 3.06Å |
| 521 | V | 97.9 | Very high | 98.3 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.024 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -95.7 | -13.2 | -174.2 | -55.6 | 0 | 0 | 0 | 0 | 113 | L144 F153 P191 D285 S519 S700 | L144-V521 HydrophobicContact CD1-CB 4.32Å; L144-V521 HydrophobicContact CD1-CG2 4.12Å; L144-V521 HydrophobicContact CD2-CB 4.41Å; F153-V521 HydrophobicContact CD1-CG1 4.38Å; F153-V521 HydrophobicContact CE1-CG2 4.49Å; P191-V521 HydrophobicContact CB-CG1 3.74Å; P191-V521 HydrophobicContact CG-CG1 3.62Å; D285-V521 HydrophobicContact CB-CG1 4.42Å; D285-V521 WeakPolarHBondContact O-CG1 3.34Å; S519-V521 PolarHBondContact O-N 2.89Å; V521-S700 VanDerWaalsContact O-CB 3.31Å; V521-S700 WeakPolarHBondContact O-CB 3.05Å; V521-S700 PolarHBondContact O-OG 2.9Å |
| 522 | F | 98.1 | Very high | 98.3 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | trans | -120.6 | 149.8 | -177 | -54.4 | -60.6 | 0 | 0 | 0 | 112.9 | F104 L144 W193 T288 N517 S519 I525 F697 N698 C701 | F104-F522 HydrophobicContact CE1-CE1 4.19Å; F104-F522 AromaticContact CE1-CZ 3.89Å; F104-F522 HydrophobicContact CE1-CZ 3.89Å; F104-F522 HydrophobicContact CE2-CZ 4.08Å; F104-F522 HydrophobicContact CZ-CE1 4.02Å; F104-F522 AromaticContact CZ-CZ 3.55Å; F104-F522 HydrophobicContact CZ-CZ 3.55Å; L144-F522 HydrophobicContact CD1-CE1 4.22Å; L144-F522 HydrophobicContact CD1-CZ 4.29Å; L144-F522 HydrophobicContact CD2-CE1 4.11Å; W193-F522 HydrophobicContact CD2-CE2 4.35Å; W193-F522 AromaticContact CE3-CE2 3.94Å; W193-F522 HydrophobicContact CE3-CE2 3.94Å; W193-F522 AromaticContact CH2-CE2 3.86Å; W193-F522 HydrophobicContact CH2-CE2 3.86Å; W193-F522 HydrophobicContact CZ2-CE2 4.28Å; W193-F522 AromaticContact CZ3-CE2 3.65Å; W193-F522 HydrophobicContact CZ3-CE2 3.65Å; W193-F522 HydrophobicContact CZ3-CZ 4.24Å; T288-F522 PolarHBondContact OG1-O 3.42Å; N517-F522 PolarHBondContact ND2-O 3.3Å; S519-F522 PolarHBondContact OG-N 3.48Å; S519-F522 PolarHBondContact OG-O 3.32Å; F522-I525 HydrophobicContact CB-CG2 3.61Å; F522-F697 HydrophobicContact CE1-CE2 4.19Å; F522-N698 HydrophobicContact CB-CB 3.95Å; F522-N698 HydrophobicContact CD1-CB 4.28Å; F522-N698 HydrophobicContact CG-CB 4.4Å; F522-C701 HydrophobicContact CD1-CB 4.44Å; F522-C701 HydrophobicContact CE1-CB 3.94Å | ||
| 523 | G | 97.5 | Very high | 98.3 | Very high | 5 Ų | 5 | 16 Ų | 16 | 5% | 0.052 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -112.8 | 150.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N698 | G523-N698 PolarHBondContact N-O 3.2Å; G523-N698 CarbonylContact O-C 3.57Å; G523-N698 WeakPolarHBondContact O-CA 3.36Å; G523-N698 WeakPolarHBondContact O-CB 3.46Å |
| 524 | D | 97.5 | Very high | 98.4 | Very high | 37 Ų | 37 | 15.1 Ų | 15.1 | 20% | 0.198 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 58.3 | 52.2 | 175.6 | -59.9 | -31.9 | 0 | 0 | 0 | 113.1 | E514 Y529 N698 K699 | E514-D524 VanDerWaalsContact CD-CA 3.43Å; E514-D524 VanDerWaalsContact OE1-CA 3.28Å; E514-D524 WeakPolarHBondContact OE1-CA 3.24Å; E514-D524 PolarHBondContact OE1-N 2.86Å; E514-D524 WeakPolarHBondContact OE2-CA 3.18Å; D524-Y529 HydrophobicContact CB-CD2 4.06Å; D524-Y529 HydrophobicContact CB-CE2 3.66Å; D524-Y529 WeakPolarHBondContact O-CE2 3.37Å; D524-N698 PolarHBondContact O-ND2 2.86Å; D524-K699 WeakPolarHBondContact OD2-CE 3.49Å; D524-K699 IonicContact OD2-NZ 2.73Å; D524-K699 PolarHBondContact OD2-NZ 3.13Å |
| 525 | I | 98.3 | Very high | 98.4 | Very high | 5 Ų | 5 | 13.6 Ų | 13.6 | 3% | 0.026 | 7% | 0.071 | C | C | . | . | trans | -106.4 | -13.2 | -176.5 | 68.3 | 164.8 | 0 | 0 | 0 | 114.6 | W231 C234 E514 N517 S519 F522 N698 | W231-I525 VanDerWaalsContact CB-O 3.29Å; W231-I525 WeakPolarHBondContact CB-O 3.5Å; W231-I525 HydrophobicContact CE3-CB 4.24Å; W231-I525 HydrophobicContact CZ3-CB 4.4Å; W231-I525 HydrophobicContact CZ3-CG2 4.42Å; C234-I525 VanDerWaalsContact CB-O 3.31Å; C234-I525 WeakPolarHBondContact CB-O 3.21Å; E514-I525 PolarHBondContact OE1-N 2.98Å; E514-I525 PolarHBondContact OE2-N 3Å; N517-I525 HydrophobicContact CB-CG1 4.41Å; N517-I525 WeakPolarHBondContact OD1-CD1 3.33Å; S519-I525 WeakPolarHBondContact OG-CD1 3.47Å; F522-I525 HydrophobicContact CB-CG2 3.61Å; I525-N698 HydrophobicContact CG2-CB 3.95Å | ||
| 526 | M | 98.6 | Very high | 98.4 | Very high | 12 Ų | 12 | 9.9 Ų | 9.9 | 6% | 0.059 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -78.9 | -29 | -163.4 | -67 | -58.4 | -67 | 0 | 0 | 113.4 | L230 W231 L513 E514 L516 N517 | L230-M526 CarbonylContact C-O 3.54Å; L230-M526 WeakPolarHBondContact CA-O 3.28Å; L230-M526 WeakPolarHBondContact CB-O 3.49Å; L230-M526 HydrophobicContact CD1-CE 4.46Å; L230-M526 HydrophobicContact CD2-CE 4.06Å; L230-M526 WeakPolarHBondContact CD2-O 3.38Å; W231-M526 PolarHBondContact N-O 2.8Å; L513-M526 HydrophobicContact CB-CB 4.2Å; L513-M526 WeakPolarHBondContact O-CG 3.4Å; E514-M526 WeakPolarHBondContact OE2-CB 3.15Å; E514-M526 PolarHBondContact OE2-N 3.4Å; L516-M526 HydrophobicContact CB-CE 4.04Å; N517-M526 HydrophobicContact CB-CG 3.87Å; N517-M526 HydrophobicContact CB-SD 4.27Å |
| 527 | I | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | S | Bend | trans | -132.8 | 159 | 179.8 | 61.1 | 176.4 | 0 | 0 | 0 | 110.6 | K507 K511 L513 Y529 | K507-I527 HydrophobicContact CD-CD1 3.98Å; K507-I527 HydrophobicContact CG-CD1 3.97Å; K511-I527 HydrophobicContact CG-CD1 4.34Å; L513-I527 HydrophobicContact CB-CG2 4.11Å; L513-I527 HydrophobicContact CD1-CG2 3.75Å; L513-I527 HydrophobicContact CG-CG2 4.49Å; I527-Y529 VanDerWaalsContact C-N 3.35Å; I527-Y529 HydrophobicContact CD1-CD1 4.06Å; I527-Y529 HydrophobicContact CD1-CE1 3.75Å; I527-Y529 HydrophobicContact CG1-CD1 4.02Å; I527-Y529 HydrophobicContact CG1-CD2 3.93Å; I527-Y529 HydrophobicContact CG1-CE1 3.74Å; I527-Y529 HydrophobicContact CG1-CE2 3.63Å; I527-Y529 HydrophobicContact CG1-CG 4.1Å; I527-Y529 WeakPolarHBondContact O-CD2 3.36Å; I527-Y529 WeakPolarHBondContact O-CE2 3.42Å; I527-Y529 PolarHBondContact O-N 3.29Å |
| 528 | D | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 7.9 Ų | 7.9 | 2% | 0.016 | 4% | 0.041 | C | C | . | . | trans | -74.9 | 90.8 | 171.4 | -158.2 | -8.6 | 0 | 0 | 0 | 109 | A502 T503 Y504 E505 K507 | A502-D528 HydrophobicContact CB-CB 4.14Å; A502-D528 WeakPolarHBondContact CB-OD1 3.44Å; T503-D528 PolarHBondContact N-OD1 3.45Å; T503-D528 VanDerWaalsContact OG1-CG 3.23Å; T503-D528 PolarHBondContact OG1-OD1 3.38Å; T503-D528 PolarHBondContact OG1-OD2 3.1Å; Y504-D528 PolarHBondContact N-OD2 2.84Å; Y504-D528 VanDerWaalsContact N-OD2 3.14Å; E505-D528 PolarHBondContact N-OD2 2.64Å; K507-D528 VanDerWaalsContact CA-O 3.31Å; K507-D528 WeakPolarHBondContact CA-O 3.47Å; K507-D528 VanDerWaalsContact CB-O 3.28Å; K507-D528 WeakPolarHBondContact CB-O 3.49Å | ||
| 529 | Y | 98.8 | Very high | 98.5 | Very high | 28 Ų | 28 | 7.3 Ų | 7.3 | 11% | 0.11 | 4% | 0.037 | C | C | . | . | trans | -64.8 | 155.4 | -179.6 | -67.3 | -89.7 | 0 | 0 | 0 | 111 | A502 K511 E514 D524 I527 Y531 | A502-Y529 WeakPolarHBondContact CA-O 3.24Å; A502-Y529 WeakPolarHBondContact CB-O 3.26Å; K511-Y529 HydrophobicContact CG-CE1 4.47Å; E514-Y529 WeakPolarHBondContact CB-OH 3.45Å; E514-Y529 WeakPolarHBondContact CG-OH 3.41Å; E514-Y529 PolarHBondContact OE2-OH 2.71Å; D524-Y529 HydrophobicContact CB-CD2 4.06Å; D524-Y529 HydrophobicContact CB-CE2 3.66Å; D524-Y529 WeakPolarHBondContact O-CE2 3.37Å; I527-Y529 VanDerWaalsContact C-N 3.35Å; I527-Y529 HydrophobicContact CD1-CD1 4.06Å; I527-Y529 HydrophobicContact CD1-CE1 3.75Å; I527-Y529 HydrophobicContact CG1-CD1 4.02Å; I527-Y529 HydrophobicContact CG1-CD2 3.93Å; I527-Y529 HydrophobicContact CG1-CE1 3.74Å; I527-Y529 HydrophobicContact CG1-CE2 3.63Å; I527-Y529 HydrophobicContact CG1-CG 4.1Å; I527-Y529 WeakPolarHBondContact O-CD2 3.36Å; I527-Y529 WeakPolarHBondContact O-CE2 3.42Å; I527-Y529 PolarHBondContact O-N 3.29Å; Y529-Y531 WeakPolarHBondContact O-CD2 3.24Å; Y529-Y531 WeakPolarHBondContact O-CE2 3.43Å | ||
| 530 | T | 98.8 | Very high | 98.6 | Very high | 19 Ų | 19 | 8.6 Ų | 8.6 | 12% | 0.117 | 4% | 0.043 | C | C | . | . | trans | -89.3 | 132.8 | 172.3 | 44.6 | 0 | 0 | 0 | 0 | 109.7 | N496 D498 F501 A502 K507 F567 | N496-T530 HydrophobicContact CB-CG2 3.92Å; D498-T530 PolarHBondContact OD2-OG1 3.08Å; D498-T530 VanDerWaalsContact OD2-OG1 3.06Å; F501-T530 CarbonylContact O-C 3.15Å; F501-T530 VanDerWaalsContact O-CA 3.27Å; F501-T530 WeakPolarHBondContact O-CA 3.42Å; A502-T530 HydrophobicContact CB-CG2 4.39Å; K507-T530 HydrophobicContact CB-CG2 4.43Å; K507-T530 PolarHBondContact NZ-OG1 2.99Å; T530-F567 WeakPolarHBondContact O-CZ 3.34Å; T530-F567 WeakPolarHBondContact OG1-CE2 3.19Å | ||
| 531 | Y | 98.9 | Very high | 98.6 | Very high | 19 Ų | 19 | 8.4 Ų | 8.4 | 8% | 0.075 | 4% | 0.042 | C | C | . | . | B | Isolated β-bridge | trans | -123.7 | 150.5 | -170.1 | -64 | -77 | 0 | 0 | 0 | 112.1 | F501 T503 Y529 E533 T535 S581 W582 | F501-Y531 PolarHBondContact O-N 2.9Å; T503-Y531 HydrophobicContact CG2-CD2 4.09Å; T503-Y531 HydrophobicContact CG2-CE2 3.99Å; Y529-Y531 WeakPolarHBondContact O-CD2 3.24Å; Y529-Y531 WeakPolarHBondContact O-CE2 3.43Å; Y531-E533 VanDerWaalsContact C-N 3.26Å; Y531-E533 WeakPolarHBondContact CB-OE2 3.17Å; Y531-E533 PolarHBondContact O-N 3.45Å; Y531-T535 VanDerWaalsContact O-CB 3.3Å; Y531-T535 WeakPolarHBondContact O-CB 3.41Å; Y531-T535 PolarHBondContact O-N 2.72Å; Y531-T535 VanDerWaalsContact O-N 3.09Å; Y531-T535 PolarHBondContact O-OG1 2.88Å; Y531-S581 WeakPolarHBondContact CD1-OG 3.43Å; Y531-S581 VanDerWaalsContact CE1-CB 3.47Å; Y531-S581 WeakPolarHBondContact CE1-OG 2.99Å; Y531-W582 AromaticContact CD1-NE1 3.97Å; Y531-W582 HydrophobicContact CD2-CZ2 4.17Å; Y531-W582 AromaticContact CD2-NE1 3.66Å; Y531-W582 HydrophobicContact CE1-CZ2 4.48Å; Y531-W582 AromaticContact CE2-CZ2 3.6Å; Y531-W582 HydrophobicContact CE2-CZ2 3.6Å; Y531-W582 AromaticContact CE2-NE1 3.95Å; Y531-W582 AromaticContact CG-NE1 3.66Å; Y531-W582 AromaticContact CZ-CZ2 3.76Å |
| 532 | V | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 8.2 Ų | 8.2 | 4% | 0.042 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -66.5 | -34 | 179 | 64.7 | 0 | 0 | 0 | 0 | 110.9 | T535 S536 C568 V571 W578 | V532-T535 PolarHBondContact O-N 2.95Å; V532-S536 WeakPolarHBondContact O-CB 3.35Å; V532-S536 PolarHBondContact O-N 3.11Å; V532-C568 HydrophobicContact CG2-CB 4.48Å; V532-V571 HydrophobicContact CB-CG2 4.34Å; V532-W578 HydrophobicContact CG1-CB 4.07Å; V532-W578 HydrophobicContact CG1-CG 4.35Å; V532-W578 HydrophobicContact CG2-CG 4.12Å |
| 533 | E | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 1% | 0.014 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -69.1 | -51.5 | -177.5 | -49.4 | 100.2 | 116.4 | 0 | 0 | 110.8 | Y531 T535 S536 A537 G580 S581 Y588 F592 | Y531-E533 VanDerWaalsContact C-N 3.26Å; Y531-E533 WeakPolarHBondContact CB-OE2 3.17Å; Y531-E533 PolarHBondContact O-N 3.45Å; E533-T535 VanDerWaalsContact C-N 3.3Å; E533-T535 PolarHBondContact O-N 3.08Å; E533-S536 PolarHBondContact O-N 3.32Å; E533-A537 WeakPolarHBondContact O-CB 3.36Å; E533-A537 PolarHBondContact O-N 2.96Å; E533-G580 WeakPolarHBondContact OE1-CA 3.26Å; E533-S581 PolarHBondContact OE1-N 3.12Å; E533-Y588 HydrophobicContact CB-CE1 4.33Å; E533-Y588 HydrophobicContact CG-CD1 4.01Å; E533-Y588 HydrophobicContact CG-CE1 3.62Å; E533-F592 HydrophobicContact CB-CB 4.36Å; E533-F592 HydrophobicContact CB-CD1 4.18Å; E533-F592 HydrophobicContact CB-CD2 3.81Å; E533-F592 HydrophobicContact CB-CE1 4.42Å; E533-F592 HydrophobicContact CB-CE2 4.11Å; E533-F592 HydrophobicContact CB-CG 3.85Å; E533-F592 HydrophobicContact CB-CZ 4.39Å; E533-F592 HydrophobicContact CG-CB 4.18Å; E533-F592 HydrophobicContact CG-CD2 3.64Å; E533-F592 HydrophobicContact CG-CE2 4.21Å; E533-F592 HydrophobicContact CG-CG 3.95Å |
| 534 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.1 | -39.2 | 176.5 | -48.8 | 0 | 0 | 0 | 0 | 111.8 | D456 F501 A502 A538 | D456-C534 PolarHBondContact OD2-SG 2.84Å; F501-C534 HydrophobicContact CB-CB 4.13Å; A502-C534 WeakPolarHBondContact O-CB 3.36Å; C534-A538 WeakPolarHBondContact O-CB 3.39Å; C534-A538 PolarHBondContact O-N 3.38Å; C534-A538 VanDerWaalsContact O-N 3.09Å |
| 535 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -66.8 | -47.3 | 178.3 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | G500 F501 Y531 V532 E533 A538 M539 F567 | G500-T535 WeakPolarHBondContact CA-OG1 3.45Å; F501-T535 HydrophobicContact CD2-CG2 4.31Å; F501-T535 PolarHBondContact N-OG1 3.02Å; Y531-T535 VanDerWaalsContact O-CB 3.3Å; Y531-T535 WeakPolarHBondContact O-CB 3.41Å; Y531-T535 PolarHBondContact O-N 2.72Å; Y531-T535 VanDerWaalsContact O-N 3.09Å; Y531-T535 PolarHBondContact O-OG1 2.88Å; V532-T535 PolarHBondContact O-N 2.95Å; E533-T535 VanDerWaalsContact C-N 3.3Å; E533-T535 PolarHBondContact O-N 3.08Å; T535-A538 PolarHBondContact O-N 3.33Å; T535-M539 HydrophobicContact CG2-CG 4.47Å; T535-M539 HydrophobicContact CG2-SD 3.97Å; T535-M539 WeakPolarHBondContact O-CB 3.39Å; T535-M539 WeakPolarHBondContact O-CG 3.44Å; T535-M539 PolarHBondContact O-N 3.5Å; T535-F567 HydrophobicContact CG2-CD1 3.84Å; T535-F567 WeakPolarHBondContact OG1-CD1 3.47Å; T535-F567 WeakPolarHBondContact OG1-CE1 3.41Å |
| 536 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 178.6 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | V532 E533 A538 M539 Q540 F592 A596 | V532-S536 WeakPolarHBondContact O-CB 3.35Å; V532-S536 PolarHBondContact O-N 3.11Å; E533-S536 PolarHBondContact O-N 3.32Å; S536-A538 PolarHBondContact O-N 2.89Å; S536-M539 WeakPolarHBondContact O-CB 3.42Å; S536-M539 PolarHBondContact O-N 3.21Å; S536-Q540 VanDerWaalsContact O-CG 3.29Å; S536-Q540 WeakPolarHBondContact O-CG 3.46Å; S536-Q540 PolarHBondContact O-N 3.43Å; S536-Q540 PolarHBondContact O-NE2 3.27Å; S536-Q540 PolarHBondContact OG-NE2 3.16Å; S536-F592 WeakPolarHBondContact CB-O 3.12Å; S536-F592 PolarHBondContact OG-O 3.27Å; S536-A596 PolarHBondContact OG-N 3.04Å |
| 537 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.7 | -50.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D456 A459 E460 E533 M539 Q540 A541 F592 | D456-A537 HydrophobicContact CB-CB 3.97Å; A459-A537 HydrophobicContact CB-CB 4.14Å; A459-A537 WeakPolarHBondContact CB-O 3.38Å; E460-A537 HydrophobicContact CG-CB 4.48Å; E460-A537 WeakPolarHBondContact OE1-CB 3.47Å; E533-A537 WeakPolarHBondContact O-CB 3.36Å; E533-A537 PolarHBondContact O-N 2.96Å; A537-M539 VanDerWaalsContact C-N 3.33Å; A537-M539 PolarHBondContact O-N 3.49Å; A537-Q540 PolarHBondContact O-N 3.44Å; A537-A541 PolarHBondContact O-N 3.13Å; A537-F592 HydrophobicContact CB-CE1 4.41Å |
| 538 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.5 | -42.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F501 C534 T535 S536 L542 | F501-A538 HydrophobicContact CD1-CB 3.95Å; F501-A538 HydrophobicContact CD2-CB 3.95Å; F501-A538 HydrophobicContact CE1-CB 3.98Å; F501-A538 HydrophobicContact CE2-CB 4.01Å; F501-A538 HydrophobicContact CG-CB 3.92Å; F501-A538 HydrophobicContact CZ-CB 4.02Å; C534-A538 WeakPolarHBondContact O-CB 3.39Å; C534-A538 PolarHBondContact O-N 3.38Å; C534-A538 VanDerWaalsContact O-N 3.09Å; T535-A538 PolarHBondContact O-N 3.33Å; S536-A538 PolarHBondContact O-N 2.89Å; A538-L542 VanDerWaalsContact O-CB 3.25Å; A538-L542 WeakPolarHBondContact O-CB 3.43Å; A538-L542 WeakPolarHBondContact O-CG 3.41Å; A538-L542 PolarHBondContact O-N 2.87Å |
| 539 | M | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61 | -48 | 176.2 | -74.2 | 170 | 63.7 | 0 | 0 | 112.1 | T535 S536 A537 A541 L542 R543 L561 L565 A596 M600 | T535-M539 HydrophobicContact CG2-CG 4.47Å; T535-M539 HydrophobicContact CG2-SD 3.97Å; T535-M539 WeakPolarHBondContact O-CB 3.39Å; T535-M539 WeakPolarHBondContact O-CG 3.44Å; T535-M539 PolarHBondContact O-N 3.5Å; S536-M539 WeakPolarHBondContact O-CB 3.42Å; S536-M539 PolarHBondContact O-N 3.21Å; A537-M539 VanDerWaalsContact C-N 3.33Å; A537-M539 PolarHBondContact O-N 3.49Å; M539-A541 PolarHBondContact O-N 3.38Å; M539-L542 PolarHBondContact O-N 2.95Å; M539-R543 WeakPolarHBondContact O-CB 3.42Å; M539-R543 PolarHBondContact O-N 3.16Å; M539-L561 HydrophobicContact CB-CD2 3.91Å; M539-L561 HydrophobicContact CG-CD2 4.13Å; M539-L561 VanDerWaalsContact O-CD2 3.22Å; M539-L561 WeakPolarHBondContact O-CD2 3.38Å; M539-L565 HydrophobicContact CE-CB 3.85Å; M539-L565 HydrophobicContact CE-CD1 4.37Å; M539-A596 HydrophobicContact CE-CB 4.02Å; M539-A596 HydrophobicContact SD-CB 4.12Å; M539-M600 HydrophobicContact CE-CG 3.68Å; M539-M600 HydrophobicContact CE-SD 4.25Å |
| 540 | Q | 98.9 | Very high | 98.4 | Very high | 26 Ų | 26 | 22.7 Ų | 22.7 | 12% | 0.121 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.6 | -47.2 | 180 | -69.2 | 169 | 52.9 | 0 | 0 | 111.6 | K463 S536 A537 R543 H544 C599 | K463-Q540 HydrophobicContact CD-CB 4.16Å; S536-Q540 VanDerWaalsContact O-CG 3.29Å; S536-Q540 WeakPolarHBondContact O-CG 3.46Å; S536-Q540 PolarHBondContact O-N 3.43Å; S536-Q540 PolarHBondContact O-NE2 3.27Å; S536-Q540 PolarHBondContact OG-NE2 3.16Å; A537-Q540 PolarHBondContact O-N 3.44Å; Q540-R543 PolarHBondContact O-N 3.41Å; Q540-H544 WeakPolarHBondContact O-CB 3.38Å; Q540-H544 PolarHBondContact O-N 3.43Å; Q540-C599 HydrophobicContact CG-CB 4.18Å |
| 541 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.4 | -47 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | A459 K463 A537 M539 R543 H544 F545 | A459-A541 HydrophobicContact CB-CB 3.72Å; A459-A541 VanDerWaalsContact O-CB 3.25Å; A459-A541 WeakPolarHBondContact O-CB 3.42Å; K463-A541 HydrophobicContact CB-CB 4.25Å; A537-A541 PolarHBondContact O-N 3.13Å; M539-A541 PolarHBondContact O-N 3.38Å; A541-R543 VanDerWaalsContact C-N 3.33Å; A541-R543 PolarHBondContact O-N 3.35Å; A541-H544 PolarHBondContact O-N 3.24Å; A541-F545 VanDerWaalsContact O-CB 3.31Å; A541-F545 WeakPolarHBondContact O-CB 3.34Å; A541-F545 PolarHBondContact O-N 2.92Å |
| 542 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.3 | -34.7 | 178.3 | -71.6 | 175.9 | 0 | 0 | 0 | 112.3 | V488 L491 L492 A538 M539 L546 I557 T560 L561 | V488-L542 HydrophobicContact CB-CD2 4.49Å; V488-L542 HydrophobicContact CG1-CD2 3.92Å; V488-L542 HydrophobicContact CG2-CD2 4.25Å; L491-L542 HydrophobicContact CB-CD2 4.46Å; L491-L542 HydrophobicContact CD1-CD2 4.1Å; L491-L542 HydrophobicContact CD1-CG 4.14Å; L492-L542 HydrophobicContact CD2-CD1 4.36Å; A538-L542 VanDerWaalsContact O-CB 3.25Å; A538-L542 WeakPolarHBondContact O-CB 3.43Å; A538-L542 WeakPolarHBondContact O-CG 3.41Å; A538-L542 PolarHBondContact O-N 2.87Å; M539-L542 PolarHBondContact O-N 2.95Å; L542-L546 WeakPolarHBondContact O-CB 3.17Å; L542-L546 PolarHBondContact O-N 2.89Å; L542-I557 HydrophobicContact CB-CG2 4Å; L542-T560 HydrophobicContact CD1-CG2 3.86Å; L542-L561 HydrophobicContact CB-CD2 4.23Å |
| 543 | R | 98.7 | Very high | 98.2 | Very high | 82 Ų | 82 | 34.3 Ų | 34.3 | 31% | 0.309 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.2 | -46.7 | 175.9 | 179.1 | 59.3 | 175.9 | 150.8 | 0.2 | 111.2 | M539 Q540 A541 L546 Q547 L561 | M539-R543 WeakPolarHBondContact O-CB 3.42Å; M539-R543 PolarHBondContact O-N 3.16Å; Q540-R543 PolarHBondContact O-N 3.41Å; A541-R543 VanDerWaalsContact C-N 3.33Å; A541-R543 PolarHBondContact O-N 3.35Å; R543-L546 PolarHBondContact O-N 2.93Å; R543-Q547 WeakPolarHBondContact O-CG 3.43Å; R543-Q547 PolarHBondContact O-N 2.71Å; R543-L561 HydrophobicContact CB-CD1 4.27Å; R543-L561 HydrophobicContact CB-CD2 4.15Å |
| 544 | H | 98.6 | Very high | 98.2 | Very high | 27 Ų | 27 | 35.3 Ų | 35.3 | 13% | 0.125 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 176.1 | -176.4 | 65.5 | 0 | 0 | 0 | 111.2 | M466 E470 Q540 A541 L546 Q547 V548 | M466-H544 VanDerWaalsContact CE-CD2 3.47Å; M466-H544 WeakPolarHBondContact CE-CD2 3.46Å; E470-H544 IonicContact OE2-CE1 3.5Å; E470-H544 PolarHBondContact OE2-CE1 3.03Å; E470-H544 VanDerWaalsContact OE2-CE1 3.31Å; E470-H544 IonicContact OE2-NE2 3.4Å; Q540-H544 WeakPolarHBondContact O-CB 3.38Å; Q540-H544 PolarHBondContact O-N 3.43Å; A541-H544 PolarHBondContact O-N 3.24Å; H544-L546 VanDerWaalsContact C-N 3.32Å; H544-L546 PolarHBondContact O-N 3.45Å; H544-Q547 WeakPolarHBondContact O-CB 3.41Å; H544-Q547 PolarHBondContact O-N 3.23Å; H544-V548 PolarHBondContact O-N 2.66Å |
| 545 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.1 | -45.9 | 173.3 | 178.4 | -89.2 | 0 | 0 | 0 | 112.6 | M466 L484 Y485 V488 A541 Q547 V548 H549 H552 I557 | M466-F545 VanDerWaalsContact CE-CA 3.49Å; M466-F545 HydrophobicContact CE-CB 4.26Å; M466-F545 HydrophobicContact CE-CD2 4.42Å; M466-F545 HydrophobicContact SD-CB 4Å; M466-F545 HydrophobicContact SD-CD2 4.07Å; L484-F545 HydrophobicContact CB-CE2 4.27Å; Y485-F545 AromaticContact CD1-CE2 3.68Å; Y485-F545 HydrophobicContact CD1-CE2 3.68Å; Y485-F545 AromaticContact CD1-CZ 3.42Å; Y485-F545 HydrophobicContact CD1-CZ 3.42Å; Y485-F545 VanDerWaalsContact CD1-CZ 3.42Å; Y485-F545 AromaticContact CE1-CE2 3.87Å; Y485-F545 HydrophobicContact CE1-CE2 3.87Å; Y485-F545 AromaticContact CE1-CZ 3.55Å; Y485-F545 HydrophobicContact CE1-CZ 3.55Å; V488-F545 HydrophobicContact CG1-CE1 4.37Å; V488-F545 HydrophobicContact CG2-CB 4.41Å; V488-F545 HydrophobicContact CG2-CD1 3.8Å; V488-F545 HydrophobicContact CG2-CD2 3.6Å; V488-F545 HydrophobicContact CG2-CE1 3.92Å; V488-F545 HydrophobicContact CG2-CE2 3.72Å; V488-F545 HydrophobicContact CG2-CG 3.64Å; V488-F545 HydrophobicContact CG2-CZ 3.88Å; A541-F545 VanDerWaalsContact O-CB 3.31Å; A541-F545 WeakPolarHBondContact O-CB 3.34Å; A541-F545 PolarHBondContact O-N 2.92Å; F545-Q547 VanDerWaalsContact C-N 3.25Å; F545-Q547 PolarHBondContact O-N 2.8Å; F545-V548 PolarHBondContact O-N 2.94Å; F545-H549 HydrophobicContact CD1-CB 4.42Å; F545-H549 AromaticContact CD2-CD2 3.77Å; F545-H549 HydrophobicContact CE1-CB 3.87Å; F545-H549 HydrophobicContact CE2-CB 4.05Å; F545-H549 AromaticContact CE2-CD2 3.43Å; F545-H549 VanDerWaalsContact CE2-CD2 3.43Å; F545-H549 WeakPolarHBondContact CE2-CD2 3.17Å; F545-H549 AromaticContact CE2-CG 3.9Å; F545-H549 HydrophobicContact CZ-CB 3.66Å; F545-H549 AromaticContact CZ-CD2 3.97Å; F545-H549 AromaticContact CZ-CG 3.96Å; F545-H549 PolarHBondContact O-N 3.44Å; F545-H552 HydrophobicContact CE1-CB 4.07Å; F545-H552 AromaticContact CE1-CD2 3.87Å; F545-H552 HydrophobicContact CZ-CB 4.1Å; F545-H552 AromaticContact CZ-CD2 3.79Å; F545-I557 HydrophobicContact CD1-CD1 3.78Å; F545-I557 HydrophobicContact CE1-CD1 3.9Å |
| 546 | L | 98.3 | Very high | 98.1 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.3 | -26.7 | 179.1 | -174.3 | 64.5 | 0 | 0 | 0 | 113.2 | L542 R543 H544 P550 A554 I557 R558 L561 | L542-L546 WeakPolarHBondContact O-CB 3.17Å; L542-L546 PolarHBondContact O-N 2.89Å; R543-L546 PolarHBondContact O-N 2.93Å; H544-L546 VanDerWaalsContact C-N 3.32Å; H544-L546 PolarHBondContact O-N 3.45Å; L546-P550 VanDerWaalsContact O-CA 3.28Å; L546-P550 WeakPolarHBondContact O-CA 3.42Å; L546-A554 HydrophobicContact CD1-CB 3.83Å; L546-I557 HydrophobicContact CB-CG2 4.14Å; L546-I557 HydrophobicContact CD2-CG2 4.1Å; L546-R558 HydrophobicContact CD2-CG 3.75Å; L546-L561 HydrophobicContact CD2-CD1 4.46Å |
| 547 | Q | 96.9 | Very high | 98.1 | Very high | 118 Ų | 118 | 41.8 Ų | 41.8 | 55% | 0.551 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -71.2 | -39.2 | 174.9 | -70.3 | 169.1 | -24.1 | 0 | 0 | 111.4 | R543 H544 F545 | R543-Q547 WeakPolarHBondContact O-CG 3.43Å; R543-Q547 PolarHBondContact O-N 2.71Å; H544-Q547 WeakPolarHBondContact O-CB 3.41Å; H544-Q547 PolarHBondContact O-N 3.23Å; F545-Q547 VanDerWaalsContact C-N 3.25Å; F545-Q547 PolarHBondContact O-N 2.8Å |
| 548 | V | 95.9 | Very high | 98.1 | Very high | 70 Ų | 70 | 48.4 Ų | 48.4 | 42% | 0.424 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -83.4 | -34.3 | -178.6 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | M466 H544 F545 P550 | M466-V548 HydrophobicContact CE-CB 3.62Å; M466-V548 HydrophobicContact CE-CG1 4.16Å; M466-V548 HydrophobicContact CE-CG2 3.51Å; H544-V548 PolarHBondContact O-N 2.66Å; F545-V548 PolarHBondContact O-N 2.94Å; V548-P550 WeakPolarHBondContact O-CD 3.33Å |
| 549 | H | 97.1 | Very high | 98.1 | Very high | 32 Ų | 32 | 50.9 Ų | 50.9 | 15% | 0.148 | 26% | 0.263 | C | S | . | . | trans | -124.3 | 69.9 | -178.4 | -63.8 | -75.8 | 0 | 0 | 0 | 111.5 | Y485 F545 D551 H552 | Y485-H549 HydrophobicContact CE1-CB 4.39Å; Y485-H549 AromaticContact CE1-CG 3.96Å; Y485-H549 AromaticContact CE1-ND1 3.86Å; Y485-H549 PolarHBondContact OH-ND1 2.78Å; F545-H549 HydrophobicContact CD1-CB 4.42Å; F545-H549 AromaticContact CD2-CD2 3.77Å; F545-H549 HydrophobicContact CE1-CB 3.87Å; F545-H549 HydrophobicContact CE2-CB 4.05Å; F545-H549 AromaticContact CE2-CD2 3.43Å; F545-H549 VanDerWaalsContact CE2-CD2 3.43Å; F545-H549 WeakPolarHBondContact CE2-CD2 3.17Å; F545-H549 AromaticContact CE2-CG 3.9Å; F545-H549 HydrophobicContact CZ-CB 3.66Å; F545-H549 AromaticContact CZ-CD2 3.97Å; F545-H549 AromaticContact CZ-CG 3.96Å; F545-H549 PolarHBondContact O-N 3.44Å; H549-D551 PolarHBondContact O-N 3.3Å; H549-D551 VanDerWaalsContact O-N 3.15Å; H549-H552 HydrophobicContact CB-CB 4.37Å; H549-H552 PolarHBondContact O-N 3.28Å | ||
| 550 | P | 96.9 | Very high | 98.1 | Very high | 67 Ų | 67 | 50.9 Ų | 50.9 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.4 | -169.1 | 26.1 | -36.1 | 0 | 0 | 0 | 115.1 | L546 V548 A554 | L546-P550 VanDerWaalsContact O-CA 3.28Å; L546-P550 WeakPolarHBondContact O-CA 3.42Å; V548-P550 WeakPolarHBondContact O-CD 3.33Å; P550-A554 VanDerWaalsContact O-CB 3.22Å; P550-A554 WeakPolarHBondContact O-CB 3.43Å |
| 551 | D | 96.4 | Very high | 98.1 | Very high | 155 Ų | 155 | 49.9 Ų | 49.9 | 83% | 0.829 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -15.9 | -176.2 | -58.6 | -45.6 | 0 | 0 | 0 | 113.5 | H549 R553 | H549-D551 PolarHBondContact O-N 3.3Å; H549-D551 VanDerWaalsContact O-N 3.15Å; D551-R553 PolarHBondContact O-N 3.4Å |
| 552 | H | 97.4 | Very high | 98.1 | Very high | 42 Ų | 42 | 53.6 Ų | 53.6 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -84 | 108.8 | -174 | -171.4 | 83.8 | 0 | 0 | 0 | 111.7 | Y485 F545 H549 A554 I557 | Y485-H552 AromaticContact CD1-CD2 3.95Å; Y485-H552 AromaticContact CD1-CG 3.95Å; Y485-H552 AromaticContact CD2-CE1 3.52Å; Y485-H552 AromaticContact CD2-ND1 3.64Å; Y485-H552 HydrophobicContact CE1-CB 4.21Å; Y485-H552 AromaticContact CE1-CG 3.96Å; Y485-H552 AromaticContact CE2-ND1 3.69Å; Y485-H552 AromaticContact CG-CE1 3.51Å; Y485-H552 AromaticContact CG-ND1 3.81Å; Y485-H552 AromaticContact CG-NE2 3.73Å; Y485-H552 AromaticContact CZ-ND1 3.92Å; F545-H552 HydrophobicContact CE1-CB 4.07Å; F545-H552 AromaticContact CE1-CD2 3.87Å; F545-H552 HydrophobicContact CZ-CB 4.1Å; F545-H552 AromaticContact CZ-CD2 3.79Å; H549-H552 HydrophobicContact CB-CB 4.37Å; H549-H552 PolarHBondContact O-N 3.28Å; H552-A554 PolarHBondContact O-N 2.72Å; H552-I557 WeakPolarHBondContact O-CD1 3.33Å |
| 553 | R | 97.9 | Very high | 98.1 | Very high | 93 Ų | 93 | 56.6 Ų | 56.6 | 35% | 0.351 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 50.5 | 31 | 178.9 | -61 | -176.2 | 73.9 | 173.1 | 3.2 | 113.9 | N489 L492 D551 A555 E556 I557 | N489-R553 PolarHBondContact OD1-NH1 3.13Å; L492-R553 HydrophobicContact CD1-CB 4.32Å; L492-R553 VanDerWaalsContact CD1-CZ 3.43Å; D551-R553 PolarHBondContact O-N 3.4Å; R553-A555 VanDerWaalsContact C-N 3.33Å; R553-A555 PolarHBondContact O-N 3.07Å; R553-E556 IonicContact CZ-OE1 2.78Å; R553-E556 IonicContact CZ-OE2 3.11Å; R553-E556 IonicContact NE-OE2 2.64Å; R553-E556 PolarHBondContact NE-OE2 3.48Å; R553-E556 IonicContact NH2-OE1 3.12Å; R553-E556 PolarHBondContact NH2-OE1 2.8Å; R553-E556 IonicContact NH2-OE2 3.07Å; R553-E556 PolarHBondContact NH2-OE2 3.31Å; R553-E556 PolarHBondContact O-N 3.29Å; R553-E556 VanDerWaalsContact O-N 3.1Å; R553-I557 PolarHBondContact O-N 2.86Å |
| 554 | A | 98.2 | Very high | 98.1 | Very high | 23 Ų | 23 | 52.7 Ų | 52.7 | 19% | 0.19 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54 | -43 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L546 P550 H552 E556 I557 R558 | L546-A554 HydrophobicContact CD1-CB 3.83Å; P550-A554 VanDerWaalsContact O-CB 3.22Å; P550-A554 WeakPolarHBondContact O-CB 3.43Å; H552-A554 PolarHBondContact O-N 2.72Å; A554-E556 PolarHBondContact O-N 3.42Å; A554-I557 PolarHBondContact O-N 3.31Å; A554-R558 WeakPolarHBondContact O-CB 3.4Å; A554-R558 VanDerWaalsContact O-CG 3.26Å; A554-R558 WeakPolarHBondContact O-CG 3.28Å; A554-R558 PolarHBondContact O-N 3.42Å |
| 555 | A | 98.4 | Very high | 98.1 | Very high | 81 Ų | 81 | 52 Ų | 52 | 67% | 0.669 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.9 | -43.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R553 R558 S559 | R553-A555 VanDerWaalsContact C-N 3.33Å; R553-A555 PolarHBondContact O-N 3.07Å; A555-R558 PolarHBondContact O-N 2.9Å; A555-S559 PolarHBondContact O-N 2.99Å |
| 556 | E | 98.4 | Very high | 98.1 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 26% | 0.262 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.2 | -38.8 | -179.5 | -170.7 | 179.2 | 177.2 | 0 | 0 | 112 | L492 R495 R553 A554 S559 T560 | L492-E556 HydrophobicContact CD1-CG 4.47Å; L492-E556 HydrophobicContact CD2-CG 4.26Å; R495-E556 IonicContact NH1-OE1 2.8Å; R553-E556 IonicContact CZ-OE1 2.78Å; R553-E556 IonicContact CZ-OE2 3.11Å; R553-E556 IonicContact NE-OE2 2.64Å; R553-E556 PolarHBondContact NE-OE2 3.48Å; R553-E556 IonicContact NH2-OE1 3.12Å; R553-E556 PolarHBondContact NH2-OE1 2.8Å; R553-E556 IonicContact NH2-OE2 3.07Å; R553-E556 PolarHBondContact NH2-OE2 3.31Å; R553-E556 PolarHBondContact O-N 3.29Å; R553-E556 VanDerWaalsContact O-N 3.1Å; A554-E556 PolarHBondContact O-N 3.42Å; E556-S559 PolarHBondContact O-N 3.24Å; E556-T560 WeakPolarHBondContact O-CB 3.21Å; E556-T560 PolarHBondContact O-N 3.2Å; E556-T560 PolarHBondContact O-OG1 2.83Å |
| 557 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 173.9 | -65.6 | 173.5 | 0 | 0 | 0 | 110.1 | V488 L492 L542 F545 L546 H552 R553 A554 S559 T560 L561 | V488-I557 HydrophobicContact CG1-CD1 4.19Å; L492-I557 HydrophobicContact CD1-CG1 4.22Å; L492-I557 HydrophobicContact CD2-CG1 4.33Å; L542-I557 HydrophobicContact CB-CG2 4Å; F545-I557 HydrophobicContact CD1-CD1 3.78Å; F545-I557 HydrophobicContact CE1-CD1 3.9Å; L546-I557 HydrophobicContact CB-CG2 4.14Å; L546-I557 HydrophobicContact CD2-CG2 4.1Å; H552-I557 WeakPolarHBondContact O-CD1 3.33Å; R553-I557 PolarHBondContact O-N 2.86Å; A554-I557 PolarHBondContact O-N 3.31Å; I557-S559 VanDerWaalsContact C-N 3.34Å; I557-S559 PolarHBondContact O-N 3.37Å; I557-T560 WeakPolarHBondContact O-CB 3.49Å; I557-T560 PolarHBondContact O-N 3.41Å; I557-T560 VanDerWaalsContact O-N 3.12Å; I557-L561 HydrophobicContact CG2-CD1 4.07Å; I557-L561 HydrophobicContact CG2-CG 4.31Å; I557-L561 VanDerWaalsContact O-CG 3.31Å; I557-L561 WeakPolarHBondContact O-CG 3.25Å; I557-L561 PolarHBondContact O-N 3.17Å |
| 558 | R | 98.8 | Very high | 98.2 | Very high | 139 Ų | 139 | 49.7 Ų | 49.7 | 53% | 0.525 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 177.5 | -72 | 175.1 | -165.8 | -92.6 | 2 | 112.7 | L546 A554 A555 L561 T562 | L546-R558 HydrophobicContact CD2-CG 3.75Å; A554-R558 WeakPolarHBondContact O-CB 3.4Å; A554-R558 VanDerWaalsContact O-CG 3.26Å; A554-R558 WeakPolarHBondContact O-CG 3.28Å; A554-R558 PolarHBondContact O-N 3.42Å; A555-R558 PolarHBondContact O-N 2.9Å; R558-L561 PolarHBondContact O-N 3.41Å; R558-T562 PolarHBondContact O-N 3Å; R558-T562 VanDerWaalsContact O-N 3.09Å; R558-T562 PolarHBondContact O-OG1 3.3Å |
| 559 | S | 98.7 | Very high | 98.4 | Very high | 51 Ų | 51 | 50 Ų | 50 | 36% | 0.357 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.1 | -47.8 | 172.9 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | A555 E556 I557 L561 T562 D563 | A555-S559 PolarHBondContact O-N 2.99Å; E556-S559 PolarHBondContact O-N 3.24Å; I557-S559 VanDerWaalsContact C-N 3.34Å; I557-S559 PolarHBondContact O-N 3.37Å; S559-L561 VanDerWaalsContact C-N 3.32Å; S559-L561 PolarHBondContact O-N 3.07Å; S559-T562 PolarHBondContact O-N 3.05Å; S559-T562 VanDerWaalsContact O-N 3.13Å; S559-D563 WeakPolarHBondContact O-CB 3.37Å; S559-D563 PolarHBondContact O-N 3.49Å; S559-D563 PolarHBondContact OG-OD2 2.67Å |
| 560 | T | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.7 | -41.7 | -180 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | L492 R495 F501 L542 E556 I557 G564 | L492-T560 HydrophobicContact CD2-CG2 4.43Å; R495-T560 WeakPolarHBondContact CD-OG1 3.34Å; R495-T560 HydrophobicContact CG-CG2 4.14Å; R495-T560 PolarHBondContact NE-OG1 3.29Å; F501-T560 HydrophobicContact CE2-CG2 3.72Å; F501-T560 HydrophobicContact CZ-CG2 3.69Å; L542-T560 HydrophobicContact CD1-CG2 3.86Å; E556-T560 WeakPolarHBondContact O-CB 3.21Å; E556-T560 PolarHBondContact O-N 3.2Å; E556-T560 PolarHBondContact O-OG1 2.83Å; I557-T560 WeakPolarHBondContact O-CB 3.49Å; I557-T560 PolarHBondContact O-N 3.41Å; I557-T560 VanDerWaalsContact O-N 3.12Å; T560-G564 PolarHBondContact O-N 2.6Å |
| 561 | L | 98.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | 175.9 | -67.8 | 174.1 | 0 | 0 | 0 | 112.4 | M539 L542 R543 L546 I557 R558 S559 L565 M600 | M539-L561 HydrophobicContact CB-CD2 3.91Å; M539-L561 HydrophobicContact CG-CD2 4.13Å; M539-L561 VanDerWaalsContact O-CD2 3.22Å; M539-L561 WeakPolarHBondContact O-CD2 3.38Å; L542-L561 HydrophobicContact CB-CD2 4.23Å; R543-L561 HydrophobicContact CB-CD1 4.27Å; R543-L561 HydrophobicContact CB-CD2 4.15Å; L546-L561 HydrophobicContact CD2-CD1 4.46Å; I557-L561 HydrophobicContact CG2-CD1 4.07Å; I557-L561 HydrophobicContact CG2-CG 4.31Å; I557-L561 VanDerWaalsContact O-CG 3.31Å; I557-L561 WeakPolarHBondContact O-CG 3.25Å; I557-L561 PolarHBondContact O-N 3.17Å; R558-L561 PolarHBondContact O-N 3.41Å; S559-L561 VanDerWaalsContact C-N 3.32Å; S559-L561 PolarHBondContact O-N 3.07Å; L561-L565 PolarHBondContact O-N 2.76Å; L561-M600 HydrophobicContact CB-CE 4.03Å; L561-M600 HydrophobicContact CB-SD 3.9Å |
| 562 | T | 98.8 | Very high | 98.6 | Very high | 78 Ų | 78 | 49 Ų | 49 | 48% | 0.479 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68 | -48.6 | 178.2 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | R558 S559 G564 L565 E566 | R558-T562 PolarHBondContact O-N 3Å; R558-T562 VanDerWaalsContact O-N 3.09Å; R558-T562 PolarHBondContact O-OG1 3.3Å; S559-T562 PolarHBondContact O-N 3.05Å; S559-T562 VanDerWaalsContact O-N 3.13Å; T562-G564 VanDerWaalsContact C-N 3.29Å; T562-G564 PolarHBondContact O-N 3.02Å; T562-L565 PolarHBondContact O-N 3.32Å; T562-E566 PolarHBondContact O-N 2.64Å; T562-E566 VanDerWaalsContact O-N 3.09Å |
| 563 | D | 98.9 | Very high | 98.7 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 34% | 0.337 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 178.7 | -62.7 | -27.6 | 0 | 0 | 0 | 111.4 | R495 S559 E566 F567 | R495-D563 IonicContact NH2-OD2 3.93Å; R495-D563 PolarHBondContact NH2-OD2 2.62Å; S559-D563 WeakPolarHBondContact O-CB 3.37Å; S559-D563 PolarHBondContact O-N 3.49Å; S559-D563 PolarHBondContact OG-OD2 2.67Å; D563-E566 PolarHBondContact O-N 2.94Å; D563-F567 PolarHBondContact O-N 3.19Å |
| 564 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | G499 T560 T562 E566 F567 C568 | G499-G564 WeakPolarHBondContact O-CA 3.17Å; T560-G564 PolarHBondContact O-N 2.6Å; T562-G564 VanDerWaalsContact C-N 3.29Å; T562-G564 PolarHBondContact O-N 3.02Å; G564-E566 VanDerWaalsContact C-N 3.32Å; G564-E566 PolarHBondContact O-N 2.82Å; G564-F567 WeakPolarHBondContact O-CB 3.34Å; G564-F567 PolarHBondContact O-N 2.97Å; G564-C568 PolarHBondContact O-N 2.79Å; G564-C568 PolarHBondContact O-SG 3.27Å; G564-C568 VanDerWaalsContact O-SG 3.34Å |
| 565 | L | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.5 | -177.4 | 64.8 | 0 | 0 | 0 | 111.3 | M539 L561 T562 F567 C568 R569 F597 M600 H602 | M539-L565 HydrophobicContact CE-CB 3.85Å; M539-L565 HydrophobicContact CE-CD1 4.37Å; L561-L565 PolarHBondContact O-N 2.76Å; T562-L565 PolarHBondContact O-N 3.32Å; L565-F567 VanDerWaalsContact C-N 3.32Å; L565-F567 PolarHBondContact O-N 3.36Å; L565-C568 WeakPolarHBondContact O-CB 3.36Å; L565-C568 PolarHBondContact O-N 3.09Å; L565-R569 PolarHBondContact O-N 2.64Å; L565-F597 HydrophobicContact CD1-CD1 3.96Å; L565-F597 HydrophobicContact CD1-CD2 3.98Å; L565-F597 HydrophobicContact CD1-CE1 4.05Å; L565-F597 HydrophobicContact CD1-CE2 4.08Å; L565-F597 HydrophobicContact CD1-CG 3.93Å; L565-F597 HydrophobicContact CD1-CZ 4.11Å; L565-M600 HydrophobicContact CB-CG 4.36Å; L565-M600 HydrophobicContact CD1-CB 4.48Å; L565-M600 HydrophobicContact CD1-CG 4.27Å; L565-M600 HydrophobicContact CD2-CB 4.02Å; L565-M600 HydrophobicContact CD2-CE 4.35Å; L565-M600 HydrophobicContact CD2-CG 4.08Å; L565-M600 HydrophobicContact CG-CG 4.47Å; L565-H602 WeakPolarHBondContact CD2-NE2 3.35Å |
| 566 | E | 98.8 | Very high | 98.7 | Very high | 69 Ų | 69 | 50.9 Ų | 50.9 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.6 | -31.9 | 176.6 | -73.8 | -57 | 122.1 | 0 | 0 | 112.6 | T562 D563 G564 R569 R570 | T562-E566 PolarHBondContact O-N 2.64Å; T562-E566 VanDerWaalsContact O-N 3.09Å; D563-E566 PolarHBondContact O-N 2.94Å; G564-E566 VanDerWaalsContact C-N 3.32Å; G564-E566 PolarHBondContact O-N 2.82Å; E566-R569 IonicContact OE1-CZ 3.13Å; E566-R569 IonicContact OE1-NE 2.68Å; E566-R569 PolarHBondContact OE1-NE 3.07Å; E566-R569 IonicContact OE1-NH2 3.62Å; E566-R569 PolarHBondContact OE1-NH2 3.13Å; E566-R569 IonicContact OE2-NE 3.9Å; E566-R570 WeakPolarHBondContact O-CG 3.24Å; E566-R570 PolarHBondContact O-N 2.56Å; E566-R570 VanDerWaalsContact O-N 3.07Å; E566-R570 PolarHBondContact O-NH1 3.42Å |
| 567 | F | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -53 | 167.6 | 171.9 | -93 | 0 | 0 | 0 | 111.1 | D498 T530 T535 D563 G564 L565 R569 R570 V571 | D498-F567 WeakPolarHBondContact O-CB 3.14Å; D498-F567 WeakPolarHBondContact O-CD2 3.39Å; T530-F567 WeakPolarHBondContact O-CZ 3.34Å; T530-F567 WeakPolarHBondContact OG1-CE2 3.19Å; T535-F567 HydrophobicContact CG2-CD1 3.84Å; T535-F567 WeakPolarHBondContact OG1-CD1 3.47Å; T535-F567 WeakPolarHBondContact OG1-CE1 3.41Å; D563-F567 PolarHBondContact O-N 3.19Å; G564-F567 WeakPolarHBondContact O-CB 3.34Å; G564-F567 PolarHBondContact O-N 2.97Å; L565-F567 VanDerWaalsContact C-N 3.32Å; L565-F567 PolarHBondContact O-N 3.36Å; F567-R569 VanDerWaalsContact C-N 3.27Å; F567-R569 PolarHBondContact O-N 2.88Å; F567-R570 PolarHBondContact O-N 3.37Å; F567-V571 HydrophobicContact CD1-CG2 4.28Å; F567-V571 HydrophobicContact CD2-CG1 4.19Å; F567-V571 HydrophobicContact CE1-CG1 4.25Å; F567-V571 HydrophobicContact CE1-CG2 3.88Å; F567-V571 HydrophobicContact CE2-CG1 3.7Å; F567-V571 HydrophobicContact CZ-CG1 3.73Å; F567-V571 HydrophobicContact CZ-CG2 4.16Å; F567-V571 WeakPolarHBondContact O-CG2 3.29Å; F567-V571 PolarHBondContact O-N 3.41Å |
| 568 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.4 | -42.7 | 178.8 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | V532 G564 L565 V571 Q572 W578 F597 | V532-C568 HydrophobicContact CG2-CB 4.48Å; G564-C568 PolarHBondContact O-N 2.79Å; G564-C568 PolarHBondContact O-SG 3.27Å; G564-C568 VanDerWaalsContact O-SG 3.34Å; L565-C568 WeakPolarHBondContact O-CB 3.36Å; L565-C568 PolarHBondContact O-N 3.09Å; C568-V571 PolarHBondContact O-N 3.1Å; C568-Q572 PolarHBondContact O-N 3.2Å; C568-W578 PolarHBondContact O-NE1 3.14Å; C568-F597 HydrophobicContact CB-CE2 4.32Å |
| 569 | R | 98.8 | Very high | 98.8 | Very high | 77 Ų | 77 | 43 Ų | 43 | 29% | 0.291 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 174.5 | -167.5 | -171.1 | -60.2 | -93.8 | 0 | 112.1 | L565 E566 F567 V571 Q572 F597 E612 | L565-R569 PolarHBondContact O-N 2.64Å; E566-R569 IonicContact OE1-CZ 3.13Å; E566-R569 IonicContact OE1-NE 2.68Å; E566-R569 PolarHBondContact OE1-NE 3.07Å; E566-R569 IonicContact OE1-NH2 3.62Å; E566-R569 PolarHBondContact OE1-NH2 3.13Å; E566-R569 IonicContact OE2-NE 3.9Å; F567-R569 VanDerWaalsContact C-N 3.27Å; F567-R569 PolarHBondContact O-N 2.88Å; R569-V571 PolarHBondContact O-N 3.12Å; R569-Q572 PolarHBondContact O-N 2.78Å; R569-F597 HydrophobicContact CB-CZ 4.34Å; R569-E612 WeakPolarHBondContact CD-OE1 3.44Å; R569-E612 HydrophobicContact CG-CG 3.96Å; R569-E612 WeakPolarHBondContact CG-OE1 3.32Å; R569-E612 IonicContact CZ-OE1 2.69Å; R569-E612 IonicContact NE-OE1 2.8Å; R569-E612 IonicContact NH1-OE1 3.69Å; R569-E612 PolarHBondContact NH1-OE1 2.92Å; R569-E612 IonicContact NH1-OE2 3.74Å; R569-E612 PolarHBondContact NH1-OE2 3.4Å; R569-E612 VanDerWaalsContact NH1-OE2 3.13Å |
| 570 | R | 98.6 | Very high | 98.8 | Very high | 140 Ų | 140 | 40.6 Ų | 40.6 | 53% | 0.528 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.4 | -33.1 | -177.7 | -77.7 | -171.2 | -60 | -83.6 | -0.1 | 114 | D498 E566 F567 | D498-R570 PolarHBondContact O-NH2 2.87Å; E566-R570 WeakPolarHBondContact O-CG 3.24Å; E566-R570 PolarHBondContact O-N 2.56Å; E566-R570 VanDerWaalsContact O-N 3.07Å; E566-R570 PolarHBondContact O-NH1 3.42Å; F567-R570 PolarHBondContact O-N 3.37Å |
| 571 | V | 98.6 | Very high | 98.8 | Very high | 63 Ų | 63 | 41.2 Ų | 41.2 | 38% | 0.382 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -91.4 | -3.5 | -177.1 | -57.6 | 0 | 0 | 0 | 0 | 113.3 | V532 F567 C568 R569 | V532-V571 HydrophobicContact CB-CG2 4.34Å; F567-V571 HydrophobicContact CD1-CG2 4.28Å; F567-V571 HydrophobicContact CD2-CG1 4.19Å; F567-V571 HydrophobicContact CE1-CG1 4.25Å; F567-V571 HydrophobicContact CE1-CG2 3.88Å; F567-V571 HydrophobicContact CE2-CG1 3.7Å; F567-V571 HydrophobicContact CZ-CG1 3.73Å; F567-V571 HydrophobicContact CZ-CG2 4.16Å; F567-V571 WeakPolarHBondContact O-CG2 3.29Å; F567-V571 PolarHBondContact O-N 3.41Å; C568-V571 PolarHBondContact O-N 3.1Å; R569-V571 PolarHBondContact O-N 3.12Å |
| 572 | Q | 98.9 | Very high | 98.8 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -62.8 | 137.6 | 170.3 | -163.6 | -178.6 | 31.8 | 0 | 0 | 110.2 | C568 R569 G576 W578 E612 | C568-Q572 PolarHBondContact O-N 3.2Å; R569-Q572 PolarHBondContact O-N 2.78Å; Q572-G576 PolarHBondContact NE2-O 3.37Å; Q572-W578 HydrophobicContact CB-CD2 4.23Å; Q572-W578 VanDerWaalsContact CB-CE2 3.48Å; Q572-W578 HydrophobicContact CB-CH2 4.28Å; Q572-W578 HydrophobicContact CB-CZ2 3.48Å; Q572-W578 VanDerWaalsContact CB-CZ2 3.48Å; Q572-W578 VanDerWaalsContact CD-CH2 3.41Å; Q572-W578 HydrophobicContact CG-CD2 3.89Å; Q572-W578 HydrophobicContact CG-CE3 4.09Å; Q572-W578 HydrophobicContact CG-CH2 3.74Å; Q572-W578 HydrophobicContact CG-CZ2 3.44Å; Q572-W578 VanDerWaalsContact CG-CZ2 3.44Å; Q572-W578 HydrophobicContact CG-CZ3 4.06Å; Q572-W578 VanDerWaalsContact NE2-CZ3 3.3Å; Q572-E612 PolarHBondContact NE2-O 3.42Å; Q572-E612 VanDerWaalsContact OE1-CA 3.25Å |
| 573 | R | 98.8 | Very high | 98.7 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | trans | -75.4 | 162.8 | 174.4 | -67.7 | -177.3 | 169.9 | -156.2 | 1.7 | 111.2 | D575 G576 S577 E579 R640 | R573-D575 VanDerWaalsContact CB-OD1 3.27Å; R573-D575 WeakPolarHBondContact CB-OD1 3.48Å; R573-D575 PolarHBondContact O-N 3.32Å; R573-G576 PolarHBondContact O-N 3.44Å; R573-S577 WeakPolarHBondContact CB-O 3.42Å; R573-S577 WeakPolarHBondContact CD-OG 3.26Å; R573-S577 PolarHBondContact N-O 3.24Å; R573-E579 IonicContact CZ-OE2 2.96Å; R573-E579 VanDerWaalsContact NH2-CD 3.26Å; R573-E579 IonicContact NH2-OE1 3.38Å; R573-E579 IonicContact NH2-OE2 3.6Å; R573-E579 PolarHBondContact NH2-OE2 3.36Å; R573-R640 PolarHBondContact NH1-O 3.12Å; R573-R640 PolarHBondContact NH2-O 2.88Å | ||
| 574 | T | 98.2 | Very high | 98.7 | Very high | 132 Ų | 132 | 35.9 Ų | 35.9 | 81% | 0.81 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -31.3 | -178.5 | 47.9 | 0 | 0 | 0 | 0 | 113.4 | G576 K615 | T574-G576 PolarHBondContact O-N 3.3Å; T574-K615 PolarHBondContact O-NZ 3.13Å |
| 575 | D | 98.4 | Very high | 98.7 | Very high | 78 Ų | 78 | 35.9 Ų | 35.9 | 42% | 0.417 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -8 | 174.1 | 61.1 | 17.3 | 0 | 0 | 0 | 113.7 | R573 S577 F619 | R573-D575 VanDerWaalsContact CB-OD1 3.27Å; R573-D575 WeakPolarHBondContact CB-OD1 3.48Å; R573-D575 PolarHBondContact O-N 3.32Å; D575-S577 WeakPolarHBondContact OD1-CB 3.14Å; D575-S577 PolarHBondContact OD1-N 2.91Å; D575-S577 PolarHBondContact OD1-OG 2.78Å; D575-F619 HydrophobicContact CB-CD2 4.39Å |
| 576 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 96.9 | -11.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q572 R573 T574 A616 | Q572-G576 PolarHBondContact NE2-O 3.37Å; R573-G576 PolarHBondContact O-N 3.44Å; T574-G576 PolarHBondContact O-N 3.3Å; G576-A616 WeakPolarHBondContact O-CA 3.35Å; G576-A616 WeakPolarHBondContact O-CB 3.2Å |
| 577 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -76.9 | 161.5 | -180 | 69.3 | 0 | 0 | 0 | 0 | 112.6 | R573 D575 | R573-S577 WeakPolarHBondContact CB-O 3.42Å; R573-S577 WeakPolarHBondContact CD-OG 3.26Å; R573-S577 PolarHBondContact N-O 3.24Å; D575-S577 WeakPolarHBondContact OD1-CB 3.14Å; D575-S577 PolarHBondContact OD1-N 2.91Å; D575-S577 PolarHBondContact OD1-OG 2.78Å | ||
| 578 | W | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | trans | -117.1 | 137.3 | 160.3 | -74.3 | -93.6 | 0 | 0 | 0 | 109.6 | V532 C568 Q572 F586 G589 T590 F597 A616 | V532-W578 HydrophobicContact CG1-CB 4.07Å; V532-W578 HydrophobicContact CG1-CG 4.35Å; V532-W578 HydrophobicContact CG2-CG 4.12Å; C568-W578 PolarHBondContact O-NE1 3.14Å; Q572-W578 HydrophobicContact CB-CD2 4.23Å; Q572-W578 VanDerWaalsContact CB-CE2 3.48Å; Q572-W578 HydrophobicContact CB-CH2 4.28Å; Q572-W578 HydrophobicContact CB-CZ2 3.48Å; Q572-W578 VanDerWaalsContact CB-CZ2 3.48Å; Q572-W578 VanDerWaalsContact CD-CH2 3.41Å; Q572-W578 HydrophobicContact CG-CD2 3.89Å; Q572-W578 HydrophobicContact CG-CE3 4.09Å; Q572-W578 HydrophobicContact CG-CH2 3.74Å; Q572-W578 HydrophobicContact CG-CZ2 3.44Å; Q572-W578 VanDerWaalsContact CG-CZ2 3.44Å; Q572-W578 HydrophobicContact CG-CZ3 4.06Å; Q572-W578 VanDerWaalsContact NE2-CZ3 3.3Å; W578-F586 WeakPolarHBondContact O-CA 3.28Å; W578-G589 WeakPolarHBondContact CB-O 3.42Å; W578-T590 HydrophobicContact CE3-CG2 4.15Å; W578-T590 HydrophobicContact CZ3-CG2 4.47Å; W578-T590 PolarHBondContact N-OG1 3.01Å; W578-T590 VanDerWaalsContact N-OG1 3.09Å; W578-F597 HydrophobicContact CH2-CD2 4.19Å; W578-F597 AromaticContact CH2-CE2 3.85Å; W578-F597 HydrophobicContact CH2-CE2 3.85Å; W578-F597 HydrophobicContact CZ2-CD2 4.43Å; W578-F597 AromaticContact CZ2-CE2 3.77Å; W578-F597 HydrophobicContact CZ2-CE2 3.77Å; W578-A616 HydrophobicContact CE3-CB 4.41Å; W578-A616 HydrophobicContact CH2-CB 4.43Å; W578-A616 HydrophobicContact CZ3-CB 3.61Å | ||
| 579 | E | 98.9 | Very high | 98.7 | Very high | 28 Ų | 28 | 31.9 Ų | 31.9 | 13% | 0.131 | 15% | 0.153 | C | C | . | . | trans | -78.7 | 119 | 176.9 | -178.4 | -179.4 | -174.9 | 0 | 0 | 110 | R573 F586 R640 K699 | R573-E579 IonicContact CZ-OE2 2.96Å; R573-E579 VanDerWaalsContact NH2-CD 3.26Å; R573-E579 IonicContact NH2-OE1 3.38Å; R573-E579 IonicContact NH2-OE2 3.6Å; R573-E579 PolarHBondContact NH2-OE2 3.36Å; E579-F586 HydrophobicContact CB-CE1 3.89Å; E579-F586 HydrophobicContact CB-CZ 4.34Å; E579-F586 HydrophobicContact CG-CE1 4.28Å; E579-F586 HydrophobicContact CG-CZ 4.23Å; E579-R640 WeakPolarHBondContact OE1-CG 3.46Å; E579-R640 IonicContact OE1-CZ 2.76Å; E579-R640 IonicContact OE1-NE 3.77Å; E579-R640 PolarHBondContact OE1-NE 3.35Å; E579-R640 IonicContact OE1-NH2 3.36Å; E579-R640 PolarHBondContact OE1-NH2 2.87Å; E579-R640 IonicContact OE2-CZ 3.68Å; E579-R640 IonicContact OE2-NE 3.84Å; E579-R640 PolarHBondContact OE2-NE 2.88Å; E579-R640 IonicContact OE2-NH2 3.99Å; E579-R640 PolarHBondContact OE2-NH2 3.27Å; E579-K699 VanDerWaalsContact OE1-CE 3.31Å; E579-K699 WeakPolarHBondContact OE1-CE 3.4Å | ||
| 580 | G | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | trans | -72.8 | 137.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E533 C585 | E533-G580 WeakPolarHBondContact OE1-CA 3.26Å; G580-C585 WeakPolarHBondContact CA-O 3.27Å; G580-C585 PolarHBondContact N-O 2.85Å | ||
| 581 | S | 98.7 | Very high | 98.7 | Very high | 14 Ų | 14 | 21.8 Ų | 21.8 | 10% | 0.098 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -111.7 | -13.4 | 178.6 | -63.5 | 0 | 0 | 0 | 0 | 113.6 | Y531 E533 | Y531-S581 WeakPolarHBondContact CD1-OG 3.43Å; Y531-S581 VanDerWaalsContact CE1-CB 3.47Å; Y531-S581 WeakPolarHBondContact CE1-OG 2.99Å; E533-S581 PolarHBondContact OE1-N 3.12Å |
| 582 | W | 98.7 | Very high | 98.7 | Very high | 34 Ų | 34 | 18.9 Ų | 18.9 | 13% | 0.129 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -122.6 | -11 | -177.6 | -53 | 104.8 | 0 | 0 | 0 | 114.2 | W231 T503 Y531 Y588 V696 F697 | W231-W582 HydrophobicContact CZ2-CH2 4.1Å; T503-W582 HydrophobicContact CG2-CH2 3.93Å; T503-W582 HydrophobicContact CG2-CZ2 3.26Å; Y531-W582 AromaticContact CD1-NE1 3.97Å; Y531-W582 HydrophobicContact CD2-CZ2 4.17Å; Y531-W582 AromaticContact CD2-NE1 3.66Å; Y531-W582 HydrophobicContact CE1-CZ2 4.48Å; Y531-W582 AromaticContact CE2-CZ2 3.6Å; Y531-W582 HydrophobicContact CE2-CZ2 3.6Å; Y531-W582 AromaticContact CE2-NE1 3.95Å; Y531-W582 AromaticContact CG-NE1 3.66Å; Y531-W582 AromaticContact CZ-CZ2 3.76Å; W582-Y588 HydrophobicContact CB-CE1 4.1Å; W582-V696 CarbonylContact C-O 3.45Å; W582-V696 VanDerWaalsContact CA-O 3.32Å; W582-V696 WeakPolarHBondContact CA-O 3.38Å; W582-V696 PolarHBondContact O-N 2.85Å; W582-F697 HydrophobicContact CE3-CB 4.38Å; W582-F697 HydrophobicContact CZ3-CB 4.01Å |
| 583 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | B | Isolated β-bridge | trans | -142.3 | 150.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | C585 S694 | G583-C585 VanDerWaalsContact O-CA 3.25Å; G583-C585 WeakPolarHBondContact O-CA 3.43Å; G583-S694 CarbonylContact C-O 3.51Å; G583-S694 VanDerWaalsContact CA-O 3.32Å; G583-S694 WeakPolarHBondContact CA-O 3.49Å |
| 584 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -85.5 | 109.9 | -171.2 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | E632 F634 N652 W655 S694 V696 | V584-E632 HydrophobicContact CG1-CB 4.3Å; V584-F634 HydrophobicContact CG2-CD2 3.86Å; V584-F634 HydrophobicContact CG2-CE2 4.38Å; V584-N652 PolarHBondContact O-ND2 3.25Å; V584-W655 WeakPolarHBondContact O-CZ3 3.47Å; V584-S694 PolarHBondContact N-O 2.99Å; V584-V696 HydrophobicContact CG2-CB 4.09Å; V584-V696 HydrophobicContact CG2-CG1 4.31Å |
| 585 | C | 97.3 | Very high | 98.8 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.043 | C | C | . | . | S | Bend | cis | -140.3 | -71.9 | -16.4 | 177.1 | 0 | 0 | 0 | 0 | 107.6 | G580 G583 Y588 G589 E632 | G580-C585 WeakPolarHBondContact CA-O 3.27Å; G580-C585 PolarHBondContact N-O 2.85Å; G583-C585 VanDerWaalsContact O-CA 3.25Å; G583-C585 WeakPolarHBondContact O-CA 3.43Å; C585-Y588 WeakPolarHBondContact O-CB 3.34Å; C585-Y588 PolarHBondContact O-N 3.31Å; C585-G589 PolarHBondContact O-N 3.4Å; C585-E632 WeakPolarHBondContact CB-OE2 3.28Å; C585-E632 PolarHBondContact N-OE1 3.09Å; C585-E632 PolarHBondContact N-OE2 3.12Å |
| 586 | F | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 5 Ų | 5 | 1% | 0.009 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -79.2 | -35.2 | -174.9 | -67.8 | -83 | 0 | 0 | 0 | 113.2 | W578 E579 Y588 T590 F619 E632 R641 Y642 | W578-F586 WeakPolarHBondContact O-CA 3.28Å; E579-F586 HydrophobicContact CB-CE1 3.89Å; E579-F586 HydrophobicContact CB-CZ 4.34Å; E579-F586 HydrophobicContact CG-CE1 4.28Å; E579-F586 HydrophobicContact CG-CZ 4.23Å; F586-Y588 VanDerWaalsContact C-N 3.27Å; F586-Y588 PolarHBondContact O-N 3.03Å; F586-T590 WeakPolarHBondContact O-CB 3.37Å; F586-T590 PolarHBondContact O-N 3.29Å; F586-T590 PolarHBondContact O-OG1 2.83Å; F586-F619 HydrophobicContact CB-CE1 3.83Å; F586-F619 HydrophobicContact CB-CZ 3.83Å; F586-F619 HydrophobicContact CD1-CZ 4.44Å; F586-F619 HydrophobicContact CG-CZ 4.2Å; F586-E632 WeakPolarHBondContact CD2-OE2 3.43Å; F586-E632 PolarHBondContact N-OE1 2.64Å; F586-E632 PolarHBondContact N-OE2 3.14Å; F586-R641 VanDerWaalsContact CE2-CA 3.42Å; F586-R641 WeakPolarHBondContact CE2-O 3.44Å; F586-Y642 HydrophobicContact CB-CD2 3.9Å; F586-Y642 HydrophobicContact CB-CE2 4.48Å; F586-Y642 HydrophobicContact CD2-CD2 4.32Å; F586-Y642 HydrophobicContact CG-CD2 4.4Å |
| 587 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 171.2 | 49.5 | 0 | 0 | 0 | 0 | 110.9 | W591 L620 W630 E632 Y642 N652 A656 | T587-W591 WeakPolarHBondContact O-CB 3.37Å; T587-W591 PolarHBondContact O-N 3.33Å; T587-L620 HydrophobicContact CG2-CD2 4.2Å; T587-W630 HydrophobicContact CG2-CB 4.21Å; T587-W630 HydrophobicContact CG2-CG 4.41Å; T587-E632 VanDerWaalsContact CB-OE1 3.29Å; T587-E632 WeakPolarHBondContact CB-OE1 3.17Å; T587-E632 WeakPolarHBondContact CG2-OE1 3.44Å; T587-E632 PolarHBondContact N-OE1 2.95Å; T587-E632 PolarHBondContact OG1-OE1 3.3Å; T587-Y642 HydrophobicContact CG2-CE2 4.18Å; T587-N652 HydrophobicContact CG2-CB 4.17Å; T587-N652 PolarHBondContact OG1-ND2 2.69Å; T587-A656 HydrophobicContact CG2-CB 4.31Å |
| 588 | Y | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 6 Ų | 6 | 0% | 0.004 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -63.8 | -58.2 | 176.2 | -173.3 | -106.1 | 0 | 0 | 0 | 112.3 | E533 W582 C585 F586 T590 W591 F592 W655 | E533-Y588 HydrophobicContact CB-CE1 4.33Å; E533-Y588 HydrophobicContact CG-CD1 4.01Å; E533-Y588 HydrophobicContact CG-CE1 3.62Å; W582-Y588 HydrophobicContact CB-CE1 4.1Å; C585-Y588 WeakPolarHBondContact O-CB 3.34Å; C585-Y588 PolarHBondContact O-N 3.31Å; F586-Y588 VanDerWaalsContact C-N 3.27Å; F586-Y588 PolarHBondContact O-N 3.03Å; Y588-T590 VanDerWaalsContact C-N 3.29Å; Y588-T590 PolarHBondContact O-N 3.28Å; Y588-W591 HydrophobicContact CD2-CE3 4.29Å; Y588-W591 HydrophobicContact CD2-CZ3 4.43Å; Y588-W591 HydrophobicContact CE2-CE3 4.45Å; Y588-W591 HydrophobicContact CE2-CZ3 4.17Å; Y588-W591 WeakPolarHBondContact O-CB 3.22Å; Y588-W591 PolarHBondContact O-N 3.08Å; Y588-F592 HydrophobicContact CD1-CD2 4.4Å; Y588-F592 HydrophobicContact CD1-CE2 4.45Å; Y588-F592 HydrophobicContact CD2-CE2 4.19Å; Y588-F592 HydrophobicContact CE1-CD2 4.15Å; Y588-F592 AromaticContact CE1-CE2 3.88Å; Y588-F592 HydrophobicContact CE1-CE2 3.88Å; Y588-F592 HydrophobicContact CE2-CD2 4.32Å; Y588-F592 AromaticContact CE2-CE2 3.57Å; Y588-F592 HydrophobicContact CE2-CE2 3.57Å; Y588-F592 AromaticContact CZ-CE2 3.38Å; Y588-F592 WeakPolarHBondContact O-CD2 3.45Å; Y588-F592 PolarHBondContact O-N 3.49Å; Y588-F592 WeakPolarHBondContact OH-CE2 3.48Å; Y588-W655 AromaticContact CD2-CD2 3.82Å; Y588-W655 HydrophobicContact CD2-CD2 3.82Å; Y588-W655 AromaticContact CD2-CE2 3.59Å; Y588-W655 HydrophobicContact CD2-CE3 4Å; Y588-W655 HydrophobicContact CD2-CG 4.5Å; Y588-W655 AromaticContact CD2-CH2 3.74Å; Y588-W655 HydrophobicContact CD2-CH2 3.74Å; Y588-W655 AromaticContact CD2-CZ2 3.55Å; Y588-W655 HydrophobicContact CD2-CZ2 3.55Å; Y588-W655 AromaticContact CD2-CZ3 3.96Å; Y588-W655 HydrophobicContact CD2-CZ3 3.96Å; Y588-W655 HydrophobicContact CE2-CH2 4.48Å; Y588-W655 HydrophobicContact CE2-CZ2 4.05Å; Y588-W655 HydrophobicContact CG-CE3 4.33Å; Y588-W655 HydrophobicContact CG-CH2 4.35Å; Y588-W655 HydrophobicContact CG-CZ3 4.24Å |
| 589 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -60 | -40.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W578 C585 F592 G593 | W578-G589 WeakPolarHBondContact CB-O 3.42Å; C585-G589 PolarHBondContact O-N 3.4Å; G589-F592 PolarHBondContact O-N 3.31Å; G589-G593 PolarHBondContact O-N 3.12Å |
| 590 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -70.1 | -34.2 | -179.7 | -54.8 | 0 | 0 | 0 | 0 | 112.5 | W578 F586 Y588 G593 L594 A616 L620 | W578-T590 HydrophobicContact CE3-CG2 4.15Å; W578-T590 HydrophobicContact CZ3-CG2 4.47Å; W578-T590 PolarHBondContact N-OG1 3.01Å; W578-T590 VanDerWaalsContact N-OG1 3.09Å; F586-T590 WeakPolarHBondContact O-CB 3.37Å; F586-T590 PolarHBondContact O-N 3.29Å; F586-T590 PolarHBondContact O-OG1 2.83Å; Y588-T590 VanDerWaalsContact C-N 3.29Å; Y588-T590 PolarHBondContact O-N 3.28Å; T590-G593 PolarHBondContact O-N 3.09Å; T590-L594 HydrophobicContact CG2-CD1 4.08Å; T590-L594 HydrophobicContact CG2-CG 4.36Å; T590-L594 WeakPolarHBondContact O-CB 3.33Å; T590-L594 WeakPolarHBondContact O-CG 3.48Å; T590-L594 PolarHBondContact O-N 3.03Å; T590-A616 HydrophobicContact CG2-CB 3.87Å; T590-L620 HydrophobicContact CG2-CD1 3.99Å; T590-L620 HydrophobicContact CG2-CD2 4.12Å; T590-L620 HydrophobicContact CG2-CG 3.97Å |
| 591 | W | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 10.6 Ų | 10.6 | 2% | 0.019 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.4 | -52.4 | 170.2 | 166.9 | 41.8 | 0 | 0 | 0 | 111.1 | T587 Y588 G593 L594 E595 W655 L658 F712 | T587-W591 WeakPolarHBondContact O-CB 3.37Å; T587-W591 PolarHBondContact O-N 3.33Å; Y588-W591 HydrophobicContact CD2-CE3 4.29Å; Y588-W591 HydrophobicContact CD2-CZ3 4.43Å; Y588-W591 HydrophobicContact CE2-CE3 4.45Å; Y588-W591 HydrophobicContact CE2-CZ3 4.17Å; Y588-W591 WeakPolarHBondContact O-CB 3.22Å; Y588-W591 PolarHBondContact O-N 3.08Å; W591-G593 VanDerWaalsContact C-N 3.34Å; W591-G593 PolarHBondContact O-N 3.31Å; W591-L594 PolarHBondContact O-N 3.31Å; W591-E595 VanDerWaalsContact NE1-CG 3.32Å; W591-E595 PolarHBondContact NE1-OE1 3.43Å; W591-E595 WeakPolarHBondContact O-CG 3.34Å; W591-E595 PolarHBondContact O-N 3.04Å; W591-W655 HydrophobicContact CB-CB 3.93Å; W591-W655 WeakPolarHBondContact CB-O 3.46Å; W591-W655 HydrophobicContact CD2-CG 4.49Å; W591-W655 HydrophobicContact CE3-CB 4.4Å; W591-W655 AromaticContact CE3-CD1 3.4Å; W591-W655 VanDerWaalsContact CE3-CD1 3.4Å; W591-W655 AromaticContact CE3-CG 3.96Å; W591-W655 HydrophobicContact CE3-CG 3.96Å; W591-W655 AromaticContact CE3-NE1 3.93Å; W591-W655 HydrophobicContact CG-CB 4.33Å; W591-W655 AromaticContact CZ3-CD1 3.76Å; W591-W655 AromaticContact CZ3-NE1 3.88Å; W591-L658 HydrophobicContact CG-CB 4.33Å; W591-L658 HydrophobicContact CZ2-CD1 4.13Å; W591-F712 AromaticContact CH2-CE1 3.46Å; W591-F712 HydrophobicContact CH2-CE1 3.46Å; W591-F712 VanDerWaalsContact CH2-CE1 3.46Å; W591-F712 AromaticContact CH2-CZ 3.93Å; W591-F712 HydrophobicContact CH2-CZ 3.93Å; W591-F712 HydrophobicContact CZ2-CE1 4.18Å; W591-F712 AromaticContact CZ3-CE1 3.63Å; W591-F712 HydrophobicContact CZ3-CE1 3.63Å; W591-F712 AromaticContact CZ3-CZ 3.81Å; W591-F712 HydrophobicContact CZ3-CZ 3.81Å |
| 592 | F | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.009 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.5 | -40.4 | 177.4 | -83.7 | -79.3 | 0 | 0 | 0 | 112.9 | F392 E533 S536 A537 Y588 G589 E595 A596 | F392-F592 HydrophobicContact CZ-CZ 4.47Å; E533-F592 HydrophobicContact CB-CB 4.36Å; E533-F592 HydrophobicContact CB-CD1 4.18Å; E533-F592 HydrophobicContact CB-CD2 3.81Å; E533-F592 HydrophobicContact CB-CE1 4.42Å; E533-F592 HydrophobicContact CB-CE2 4.11Å; E533-F592 HydrophobicContact CB-CG 3.85Å; E533-F592 HydrophobicContact CB-CZ 4.39Å; E533-F592 HydrophobicContact CG-CB 4.18Å; E533-F592 HydrophobicContact CG-CD2 3.64Å; E533-F592 HydrophobicContact CG-CE2 4.21Å; E533-F592 HydrophobicContact CG-CG 3.95Å; S536-F592 WeakPolarHBondContact CB-O 3.12Å; S536-F592 PolarHBondContact OG-O 3.27Å; A537-F592 HydrophobicContact CB-CE1 4.41Å; Y588-F592 HydrophobicContact CD1-CD2 4.4Å; Y588-F592 HydrophobicContact CD1-CE2 4.45Å; Y588-F592 HydrophobicContact CD2-CE2 4.19Å; Y588-F592 HydrophobicContact CE1-CD2 4.15Å; Y588-F592 AromaticContact CE1-CE2 3.88Å; Y588-F592 HydrophobicContact CE1-CE2 3.88Å; Y588-F592 HydrophobicContact CE2-CD2 4.32Å; Y588-F592 AromaticContact CE2-CE2 3.57Å; Y588-F592 HydrophobicContact CE2-CE2 3.57Å; Y588-F592 AromaticContact CZ-CE2 3.38Å; Y588-F592 WeakPolarHBondContact O-CD2 3.45Å; Y588-F592 PolarHBondContact O-N 3.49Å; Y588-F592 WeakPolarHBondContact OH-CE2 3.48Å; G589-F592 PolarHBondContact O-N 3.31Å; F592-E595 PolarHBondContact O-N 3.19Å; F592-A596 PolarHBondContact O-N 3.07Å |
| 593 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -56.5 | -51.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G589 T590 W591 E595 A596 F597 | G589-G593 PolarHBondContact O-N 3.12Å; T590-G593 PolarHBondContact O-N 3.09Å; W591-G593 VanDerWaalsContact C-N 3.34Å; W591-G593 PolarHBondContact O-N 3.31Å; G593-E595 PolarHBondContact O-N 2.89Å; G593-A596 WeakPolarHBondContact O-CB 3.22Å; G593-A596 PolarHBondContact O-N 3.11Å; G593-F597 WeakPolarHBondContact O-CD2 3.38Å; G593-F597 PolarHBondContact O-N 2.76Å |
| 594 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.5 | -38.7 | 178.9 | -72.3 | 171.5 | 0 | 0 | 0 | 112.9 | T590 W591 A596 F597 A598 V613 A616 L620 V663 | T590-L594 HydrophobicContact CG2-CD1 4.08Å; T590-L594 HydrophobicContact CG2-CG 4.36Å; T590-L594 WeakPolarHBondContact O-CB 3.33Å; T590-L594 WeakPolarHBondContact O-CG 3.48Å; T590-L594 PolarHBondContact O-N 3.03Å; W591-L594 PolarHBondContact O-N 3.31Å; L594-A596 VanDerWaalsContact C-N 3.34Å; L594-A596 PolarHBondContact O-N 3.05Å; L594-F597 PolarHBondContact O-N 2.9Å; L594-A598 WeakPolarHBondContact O-CB 3.24Å; L594-A598 PolarHBondContact O-N 3.09Å; L594-V613 HydrophobicContact CD2-CG1 4.18Å; L594-A616 HydrophobicContact CD1-CB 4.38Å; L594-A616 HydrophobicContact CD2-CB 3.73Å; L594-A616 HydrophobicContact CG-CB 4.1Å; L594-L620 HydrophobicContact CD1-CD1 3.72Å; L594-V663 HydrophobicContact CB-CG1 4.12Å; L594-V663 HydrophobicContact CD2-CG1 3.82Å; L594-V663 HydrophobicContact CD2-CG2 4.09Å |
| 595 | E | 98.9 | Very high | 98.2 | Very high | 17 Ų | 17 | 23 Ų | 23 | 8% | 0.079 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63 | -38.3 | 174.6 | -68.7 | -76.1 | -165.4 | 0 | 0 | 112.4 | W591 F592 G593 F597 A598 C599 A662 R719 | W591-E595 VanDerWaalsContact NE1-CG 3.32Å; W591-E595 PolarHBondContact NE1-OE1 3.43Å; W591-E595 WeakPolarHBondContact O-CG 3.34Å; W591-E595 PolarHBondContact O-N 3.04Å; F592-E595 PolarHBondContact O-N 3.19Å; G593-E595 PolarHBondContact O-N 2.89Å; E595-F597 PolarHBondContact O-N 2.74Å; E595-A598 PolarHBondContact O-N 3.49Å; E595-C599 WeakPolarHBondContact O-CB 3.48Å; E595-C599 PolarHBondContact O-N 3.28Å; E595-A662 HydrophobicContact CG-CB 4.38Å; E595-A662 WeakPolarHBondContact OE2-CB 3.46Å; E595-R719 IonicContact OE1-CZ 3.51Å; E595-R719 IonicContact OE1-NH1 3.78Å; E595-R719 PolarHBondContact OE1-NH1 3.49Å; E595-R719 IonicContact OE1-NH2 3.07Å; E595-R719 PolarHBondContact OE1-NH2 2.84Å; E595-R719 VanDerWaalsContact OE1-NH2 3.15Å |
| 596 | A | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.2 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | S536 M539 F592 G593 L594 C599 M600 | S536-A596 PolarHBondContact OG-N 3.04Å; M539-A596 HydrophobicContact CE-CB 4.02Å; M539-A596 HydrophobicContact SD-CB 4.12Å; F592-A596 PolarHBondContact O-N 3.07Å; G593-A596 WeakPolarHBondContact O-CB 3.22Å; G593-A596 PolarHBondContact O-N 3.11Å; L594-A596 VanDerWaalsContact C-N 3.34Å; L594-A596 PolarHBondContact O-N 3.05Å; A596-C599 PolarHBondContact O-SG 2.93Å; A596-M600 WeakPolarHBondContact O-CG 3.43Å |
| 597 | F | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.7 | -44.1 | 173.8 | -84.4 | -97.8 | 0 | 0 | 0 | 111.2 | L565 C568 R569 W578 G593 L594 E595 C599 M600 G601 H602 P610 E612 V613 | L565-F597 HydrophobicContact CD1-CD1 3.96Å; L565-F597 HydrophobicContact CD1-CD2 3.98Å; L565-F597 HydrophobicContact CD1-CE1 4.05Å; L565-F597 HydrophobicContact CD1-CE2 4.08Å; L565-F597 HydrophobicContact CD1-CG 3.93Å; L565-F597 HydrophobicContact CD1-CZ 4.11Å; C568-F597 HydrophobicContact CB-CE2 4.32Å; R569-F597 HydrophobicContact CB-CZ 4.34Å; W578-F597 HydrophobicContact CH2-CD2 4.19Å; W578-F597 AromaticContact CH2-CE2 3.85Å; W578-F597 HydrophobicContact CH2-CE2 3.85Å; W578-F597 HydrophobicContact CZ2-CD2 4.43Å; W578-F597 AromaticContact CZ2-CE2 3.77Å; W578-F597 HydrophobicContact CZ2-CE2 3.77Å; G593-F597 WeakPolarHBondContact O-CD2 3.38Å; G593-F597 PolarHBondContact O-N 2.76Å; L594-F597 PolarHBondContact O-N 2.9Å; E595-F597 PolarHBondContact O-N 2.74Å; F597-C599 PolarHBondContact O-N 2.53Å; F597-M600 CarbonylContact O-C 3.55Å; F597-M600 PolarHBondContact O-N 2.52Å; F597-G601 PolarHBondContact O-N 3.24Å; F597-H602 HydrophobicContact CB-CB 4.08Å; F597-H602 HydrophobicContact CD1-CB 3.97Å; F597-H602 AromaticContact CD1-CD2 3.99Å; F597-H602 WeakPolarHBondContact O-CB 3.36Å; F597-H602 PolarHBondContact O-N 3.26Å; F597-P610 HydrophobicContact CE1-CB 4.39Å; F597-E612 HydrophobicContact CE1-CB 3.8Å; F597-E612 HydrophobicContact CE1-CG 4.26Å; F597-E612 HydrophobicContact CE2-CB 4.29Å; F597-E612 HydrophobicContact CZ-CB 3.58Å; F597-E612 HydrophobicContact CZ-CG 3.88Å; F597-V613 HydrophobicContact CB-CG2 3.75Å; F597-V613 HydrophobicContact CD1-CG2 3.67Å; F597-V613 HydrophobicContact CE1-CG2 4.48Å; F597-V613 HydrophobicContact CG-CG2 3.81Å |
| 598 | A | 98.8 | Very high | 96.6 | Very high | 19 Ų | 19 | 42.5 Ų | 42.5 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L594 E595 M600 G601 T603 A662 V663 | L594-A598 WeakPolarHBondContact O-CB 3.24Å; L594-A598 PolarHBondContact O-N 3.09Å; E595-A598 PolarHBondContact O-N 3.49Å; A598-M600 PolarHBondContact O-N 2.89Å; A598-G601 PolarHBondContact O-N 3.02Å; A598-T603 HydrophobicContact CB-CG2 4.43Å; A598-A662 HydrophobicContact CB-CB 4Å; A598-V663 HydrophobicContact CB-CG1 4.11Å |
| 599 | C | 98.3 | Very high | 96.4 | Very high | 31 Ų | 31 | 44 Ų | 44 | 21% | 0.209 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67 | -20.3 | 179.5 | 80.7 | 0 | 0 | 0 | 0 | 113.1 | Q540 E595 A596 F597 | Q540-C599 HydrophobicContact CG-CB 4.18Å; E595-C599 WeakPolarHBondContact O-CB 3.48Å; E595-C599 PolarHBondContact O-N 3.28Å; A596-C599 PolarHBondContact O-SG 2.93Å; F597-C599 PolarHBondContact O-N 2.53Å |
| 600 | M | 98.3 | Very high | 96.4 | Very high | 53 Ų | 53 | 45 Ų | 45 | 26% | 0.261 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 2.1 | 173 | -64.1 | -61.1 | -73.3 | 0 | 0 | 113.3 | M539 L561 L565 A596 F597 A598 | M539-M600 HydrophobicContact CE-CG 3.68Å; M539-M600 HydrophobicContact CE-SD 4.25Å; L561-M600 HydrophobicContact CB-CE 4.03Å; L561-M600 HydrophobicContact CB-SD 3.9Å; L565-M600 HydrophobicContact CB-CG 4.36Å; L565-M600 HydrophobicContact CD1-CB 4.48Å; L565-M600 HydrophobicContact CD1-CG 4.27Å; L565-M600 HydrophobicContact CD2-CB 4.02Å; L565-M600 HydrophobicContact CD2-CE 4.35Å; L565-M600 HydrophobicContact CD2-CG 4.08Å; L565-M600 HydrophobicContact CG-CG 4.47Å; A596-M600 WeakPolarHBondContact O-CG 3.43Å; F597-M600 CarbonylContact O-C 3.55Å; F597-M600 PolarHBondContact O-N 2.52Å; A598-M600 PolarHBondContact O-N 2.89Å |
| 601 | G | 97.3 | Very high | 96.3 | Very high | 45 Ų | 45 | 48.7 Ų | 48.7 | 46% | 0.464 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | 3.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F597 A598 T603 | F597-G601 PolarHBondContact O-N 3.24Å; A598-G601 PolarHBondContact O-N 3.02Å; G601-T603 PolarHBondContact O-N 3.09Å; G601-T603 VanDerWaalsContact O-N 3.15Å |
| 602 | H | 98.1 | Very high | 96.3 | Very high | 55 Ų | 55 | 49.6 Ų | 49.6 | 26% | 0.255 | 26% | 0.263 | S | S | . | . | trans | -83.1 | 91.2 | 179 | -62.6 | -57.4 | 0 | 0 | 0 | 111 | L565 F597 P610 V613 | L565-H602 WeakPolarHBondContact CD2-NE2 3.35Å; F597-H602 HydrophobicContact CB-CB 4.08Å; F597-H602 HydrophobicContact CD1-CB 3.97Å; F597-H602 AromaticContact CD1-CD2 3.99Å; F597-H602 WeakPolarHBondContact O-CB 3.36Å; F597-H602 PolarHBondContact O-N 3.26Å; H602-P610 HydrophobicContact CB-CG 3.79Å; H602-V613 HydrophobicContact CB-CG2 4.45Å | ||
| 603 | T | 97.9 | Very high | 96.3 | Very high | 23 Ų | 23 | 49.5 Ų | 49.5 | 14% | 0.141 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -133.6 | 167.2 | -178.2 | 72 | 0 | 0 | 0 | 0 | 110.9 | A598 G601 K605 A606 V663 | A598-T603 HydrophobicContact CB-CG2 4.43Å; G601-T603 PolarHBondContact O-N 3.09Å; G601-T603 VanDerWaalsContact O-N 3.15Å; T603-K605 PolarHBondContact O-N 3.19Å; T603-K605 VanDerWaalsContact O-N 3.15Å; T603-K605 PolarHBondContact OG1-N 3.48Å; T603-A606 VanDerWaalsContact O-CB 3.31Å; T603-A606 WeakPolarHBondContact O-CB 3.47Å; T603-A606 PolarHBondContact O-N 3.31Å; T603-V663 WeakPolarHBondContact CA-O 3.04Å; T603-V663 WeakPolarHBondContact CB-O 3.39Å |
| 604 | Y | 97.4 | Very high | 96.3 | Very high | 60 Ų | 60 | 53.3 Ų | 53.3 | 24% | 0.235 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -6.5 | 173.6 | -81.5 | -95.6 | 0 | 0 | 0 | 114.7 | V609 V613 Q614 C617 V663 R664 H665 P666 | Y604-V609 HydrophobicContact CD1-CG1 4.2Å; Y604-V609 HydrophobicContact CD1-CG2 3.95Å; Y604-V609 HydrophobicContact CD2-CG1 4.08Å; Y604-V609 HydrophobicContact CE1-CG1 4.16Å; Y604-V609 HydrophobicContact CE1-CG2 4.48Å; Y604-V609 HydrophobicContact CE2-CG1 4.02Å; Y604-V609 HydrophobicContact CG-CG1 4.18Å; Y604-V609 HydrophobicContact CG-CG2 4.18Å; Y604-V613 HydrophobicContact CD2-CG1 4.19Å; Y604-V613 HydrophobicContact CE2-CG1 3.74Å; Y604-Q614 WeakPolarHBondContact OH-CA 3.25Å; Y604-C617 HydrophobicContact CE2-CB 4.48Å; Y604-V663 HydrophobicContact CD2-CB 4.48Å; Y604-V663 HydrophobicContact CD2-CG2 4.21Å; Y604-V663 WeakPolarHBondContact CD2-O 3.19Å; Y604-V663 HydrophobicContact CE2-CG2 4.31Å; Y604-V663 PolarHBondContact N-O 3.06Å; Y604-R664 WeakPolarHBondContact CB-O 3.47Å; Y604-H665 HydrophobicContact CD2-CB 4.48Å; Y604-H665 AromaticContact CE2-CD2 3.59Å; Y604-H665 AromaticContact CZ-CD2 3.59Å; Y604-P666 HydrophobicContact CD1-CG 4.13Å; Y604-P666 HydrophobicContact CE1-CG 4.42Å |
| 605 | K | 91.8 | Very high | 96.3 | Very high | 169 Ų | 169 | 57 Ų | 57 | 74% | 0.735 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -11 | 170.5 | -69.7 | -171.4 | 175.7 | -175.1 | 0 | 113.3 | T603 R664 | T603-K605 PolarHBondContact O-N 3.19Å; T603-K605 VanDerWaalsContact O-N 3.15Å; T603-K605 PolarHBondContact OG1-N 3.48Å; K605-R664 HydrophobicContact CD-CG 4.28Å; K605-R664 HydrophobicContact CG-CB 4.15Å; K605-R664 HydrophobicContact CG-CG 4.34Å |
| 606 | A | 87.4 | Confident | 96.3 | Very high | 38 Ų | 38 | 56.2 Ų | 56.2 | 31% | 0.314 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -73.9 | 159.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | T603 E608 | T603-A606 VanDerWaalsContact O-CB 3.31Å; T603-A606 WeakPolarHBondContact O-CB 3.47Å; T603-A606 PolarHBondContact O-N 3.31Å; A606-E608 VanDerWaalsContact C-N 3.25Å; A606-E608 PolarHBondContact O-N 3.29Å |
| 607 | E | 83.4 | Confident | 96.3 | Very high | 208 Ų | 208 | 56.2 Ų | 56.2 | 97% | 0.972 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -59.4 | -38.8 | 177.1 | -65.4 | -177.9 | 176.6 | 0 | 0 | 111.8 | ||
| 608 | E | 91.5 | Very high | 96.3 | Very high | 167 Ų | 167 | 62.7 Ų | 62.7 | 78% | 0.78 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -125.6 | 126.3 | 176.2 | -65.5 | -174 | 172.9 | 0 | 0 | 110.8 | A606 | A606-E608 VanDerWaalsContact C-N 3.25Å; A606-E608 PolarHBondContact O-N 3.29Å |
| 609 | V | 95.1 | Very high | 96.3 | Very high | 31 Ų | 31 | 62.1 Ų | 62.1 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | trans | -94.9 | 120.7 | 177 | -170.7 | 0 | 0 | 0 | 0 | 109 | Y604 V613 Q614 | Y604-V609 HydrophobicContact CD1-CG1 4.2Å; Y604-V609 HydrophobicContact CD1-CG2 3.95Å; Y604-V609 HydrophobicContact CD2-CG1 4.08Å; Y604-V609 HydrophobicContact CE1-CG1 4.16Å; Y604-V609 HydrophobicContact CE1-CG2 4.48Å; Y604-V609 HydrophobicContact CE2-CG1 4.02Å; Y604-V609 HydrophobicContact CG-CG1 4.18Å; Y604-V609 HydrophobicContact CG-CG2 4.18Å; V609-V613 HydrophobicContact CG1-CB 4.13Å; V609-V613 HydrophobicContact CG1-CG1 3.99Å; V609-Q614 HydrophobicContact CB-CG 4.32Å; V609-Q614 HydrophobicContact CG1-CG 3.91Å; V609-Q614 PolarHBondContact O-NE2 3.08Å | ||
| 610 | P | 96.9 | Very high | 96.3 | Very high | 22 Ų | 22 | 60.7 Ų | 60.7 | 14% | 0.143 | 30% | 0.302 | C | S | . | . | trans | -59.1 | 145.8 | 179.7 | -25.7 | 35.7 | 0 | 0 | 0 | 112.7 | F597 H602 E612 V613 Q614 | F597-P610 HydrophobicContact CE1-CB 4.39Å; H602-P610 HydrophobicContact CB-CG 3.79Å; P610-E612 VanDerWaalsContact CB-OE2 3.28Å; P610-E612 WeakPolarHBondContact CB-OE2 3.41Å; P610-E612 PolarHBondContact O-N 3.28Å; P610-V613 HydrophobicContact CB-CG2 4.42Å; P610-V613 PolarHBondContact O-N 3.25Å; P610-V613 VanDerWaalsContact O-N 3.12Å; P610-Q614 PolarHBondContact O-N 2.91Å; P610-Q614 VanDerWaalsContact O-N 3.16Å | ||
| 611 | V | 98.1 | Very high | 96.3 | Very high | 78 Ų | 78 | 60.1 Ų | 60.1 | 47% | 0.473 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.8 | -31.3 | -179.8 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | Q614 K615 | V611-Q614 PolarHBondContact O-N 3.24Å; V611-K615 HydrophobicContact CG2-CD 4.3Å; V611-K615 HydrophobicContact CG2-CG 4.3Å; V611-K615 WeakPolarHBondContact O-CB 3.1Å; V611-K615 WeakPolarHBondContact O-CG 3.39Å; V611-K615 PolarHBondContact O-N 3.49Å |
| 612 | E | 98.7 | Very high | 96.4 | Very high | 24 Ų | 24 | 64.5 Ų | 64.5 | 11% | 0.112 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 176.5 | -64.4 | 83.9 | 178.7 | 0 | 0 | 111.4 | R569 Q572 F597 P610 K615 A616 | R569-E612 WeakPolarHBondContact CD-OE1 3.44Å; R569-E612 HydrophobicContact CG-CG 3.96Å; R569-E612 WeakPolarHBondContact CG-OE1 3.32Å; R569-E612 IonicContact CZ-OE1 2.69Å; R569-E612 IonicContact NE-OE1 2.8Å; R569-E612 IonicContact NH1-OE1 3.69Å; R569-E612 PolarHBondContact NH1-OE1 2.92Å; R569-E612 IonicContact NH1-OE2 3.74Å; R569-E612 PolarHBondContact NH1-OE2 3.4Å; R569-E612 VanDerWaalsContact NH1-OE2 3.13Å; Q572-E612 PolarHBondContact NE2-O 3.42Å; Q572-E612 VanDerWaalsContact OE1-CA 3.25Å; F597-E612 HydrophobicContact CE1-CB 3.8Å; F597-E612 HydrophobicContact CE1-CG 4.26Å; F597-E612 HydrophobicContact CE2-CB 4.29Å; F597-E612 HydrophobicContact CZ-CB 3.58Å; F597-E612 HydrophobicContact CZ-CG 3.88Å; P610-E612 VanDerWaalsContact CB-OE2 3.28Å; P610-E612 WeakPolarHBondContact CB-OE2 3.41Å; P610-E612 PolarHBondContact O-N 3.28Å; E612-K615 PolarHBondContact O-N 2.64Å; E612-A616 WeakPolarHBondContact O-CB 3.49Å; E612-A616 PolarHBondContact O-N 3.43Å |
| 613 | V | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | 177.4 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | L594 F597 H602 Y604 V609 P610 K615 A616 C617 V663 | L594-V613 HydrophobicContact CD2-CG1 4.18Å; F597-V613 HydrophobicContact CB-CG2 3.75Å; F597-V613 HydrophobicContact CD1-CG2 3.67Å; F597-V613 HydrophobicContact CE1-CG2 4.48Å; F597-V613 HydrophobicContact CG-CG2 3.81Å; H602-V613 HydrophobicContact CB-CG2 4.45Å; Y604-V613 HydrophobicContact CD2-CG1 4.19Å; Y604-V613 HydrophobicContact CE2-CG1 3.74Å; V609-V613 HydrophobicContact CG1-CB 4.13Å; V609-V613 HydrophobicContact CG1-CG1 3.99Å; P610-V613 HydrophobicContact CB-CG2 4.42Å; P610-V613 PolarHBondContact O-N 3.25Å; P610-V613 VanDerWaalsContact O-N 3.12Å; V613-K615 PolarHBondContact O-N 2.98Å; V613-A616 PolarHBondContact O-N 2.91Å; V613-C617 PolarHBondContact O-N 2.84Å; V613-C617 PolarHBondContact O-SG 2.94Å; V613-V663 HydrophobicContact CG1-CB 3.82Å; V613-V663 HydrophobicContact CG1-CG1 3.88Å; V613-V663 HydrophobicContact CG1-CG2 3.89Å; V613-V663 HydrophobicContact CG2-CG1 4.48Å |
| 614 | Q | 98.7 | Very high | 96.5 | Very high | 79 Ų | 79 | 64.4 Ų | 64.4 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 179 | -63.5 | 179.3 | 40.4 | 0 | 0 | 112.5 | Y604 V609 P610 V611 R618 | Y604-Q614 WeakPolarHBondContact OH-CA 3.25Å; V609-Q614 HydrophobicContact CB-CG 4.32Å; V609-Q614 HydrophobicContact CG1-CG 3.91Å; V609-Q614 PolarHBondContact O-NE2 3.08Å; P610-Q614 PolarHBondContact O-N 2.91Å; P610-Q614 VanDerWaalsContact O-N 3.16Å; V611-Q614 PolarHBondContact O-N 3.24Å; Q614-R618 WeakPolarHBondContact O-CB 3.13Å; Q614-R618 PolarHBondContact O-N 2.88Å |
| 615 | K | 98.8 | Very high | 96.6 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 178.6 | -73.2 | -179.4 | 172.7 | -169 | 0 | 111.9 | T574 V611 E612 V613 R618 F619 | T574-K615 PolarHBondContact O-NZ 3.13Å; V611-K615 HydrophobicContact CG2-CD 4.3Å; V611-K615 HydrophobicContact CG2-CG 4.3Å; V611-K615 WeakPolarHBondContact O-CB 3.1Å; V611-K615 WeakPolarHBondContact O-CG 3.39Å; V611-K615 PolarHBondContact O-N 3.49Å; E612-K615 PolarHBondContact O-N 2.64Å; V613-K615 PolarHBondContact O-N 2.98Å; K615-R618 WeakPolarHBondContact O-CB 3.48Å; K615-R618 PolarHBondContact O-N 2.84Å; K615-F619 WeakPolarHBondContact O-CB 3.32Å; K615-F619 PolarHBondContact O-N 3.1Å |
| 616 | A | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | G576 W578 T590 L594 E612 V613 R618 F619 L620 | G576-A616 WeakPolarHBondContact O-CA 3.35Å; G576-A616 WeakPolarHBondContact O-CB 3.2Å; W578-A616 HydrophobicContact CE3-CB 4.41Å; W578-A616 HydrophobicContact CH2-CB 4.43Å; W578-A616 HydrophobicContact CZ3-CB 3.61Å; T590-A616 HydrophobicContact CG2-CB 3.87Å; L594-A616 HydrophobicContact CD1-CB 4.38Å; L594-A616 HydrophobicContact CD2-CB 3.73Å; L594-A616 HydrophobicContact CG-CB 4.1Å; E612-A616 WeakPolarHBondContact O-CB 3.49Å; E612-A616 PolarHBondContact O-N 3.43Å; V613-A616 PolarHBondContact O-N 2.91Å; A616-R618 VanDerWaalsContact C-N 3.34Å; A616-R618 PolarHBondContact O-N 3.46Å; A616-F619 WeakPolarHBondContact O-CB 3.41Å; A616-F619 PolarHBondContact O-N 3.16Å; A616-L620 WeakPolarHBondContact O-CG 3.47Å; A616-L620 PolarHBondContact O-N 3.03Å |
| 617 | C | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 176 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | Y604 V613 L620 L621 L660 V663 H665 | Y604-C617 HydrophobicContact CE2-CB 4.48Å; V613-C617 PolarHBondContact O-N 2.84Å; V613-C617 PolarHBondContact O-SG 2.94Å; C617-L620 PolarHBondContact O-N 3.27Å; C617-L621 WeakPolarHBondContact O-CB 3.32Å; C617-L621 WeakPolarHBondContact O-CD1 3.33Å; C617-L621 VanDerWaalsContact O-CG 3.25Å; C617-L621 WeakPolarHBondContact O-CG 3.5Å; C617-L621 PolarHBondContact O-N 3.1Å; C617-L660 HydrophobicContact CB-CD2 3.83Å; C617-V663 VanDerWaalsContact SG-CG2 3.58Å; C617-H665 VanDerWaalsContact CB-CD2 3.46Å; C617-H665 WeakPolarHBondContact CB-CD2 3.4Å |
| 618 | R | 98.8 | Very high | 98.1 | Very high | 136 Ų | 136 | 53.2 Ų | 53.2 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 174.8 | -173.7 | -172.1 | -46.7 | 177.9 | 5 | 111.6 | Q614 K615 A616 L620 L621 E622 | Q614-R618 WeakPolarHBondContact O-CB 3.13Å; Q614-R618 PolarHBondContact O-N 2.88Å; K615-R618 WeakPolarHBondContact O-CB 3.48Å; K615-R618 PolarHBondContact O-N 2.84Å; A616-R618 VanDerWaalsContact C-N 3.34Å; A616-R618 PolarHBondContact O-N 3.46Å; R618-L620 VanDerWaalsContact C-N 3.3Å; R618-L620 PolarHBondContact O-N 3.26Å; R618-L621 PolarHBondContact O-N 2.96Å; R618-E622 WeakPolarHBondContact CD-OE1 3.31Å; R618-E622 HydrophobicContact CG-CG 4.22Å; R618-E622 VanDerWaalsContact CG-OE1 3.25Å; R618-E622 WeakPolarHBondContact CG-OE1 3.37Å; R618-E622 WeakPolarHBondContact O-CB 3.4Å; R618-E622 WeakPolarHBondContact O-CG 3.35Å; R618-E622 PolarHBondContact O-N 3.31Å |
| 619 | F | 98.9 | Very high | 98.4 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.4 | -48.6 | 176.3 | 174.1 | -91.8 | 0 | 0 | 0 | 111.2 | D575 F586 K615 A616 H623 Y642 | D575-F619 HydrophobicContact CB-CD2 4.39Å; F586-F619 HydrophobicContact CB-CE1 3.83Å; F586-F619 HydrophobicContact CB-CZ 3.83Å; F586-F619 HydrophobicContact CD1-CZ 4.44Å; F586-F619 HydrophobicContact CG-CZ 4.2Å; K615-F619 WeakPolarHBondContact O-CB 3.32Å; K615-F619 PolarHBondContact O-N 3.1Å; A616-F619 WeakPolarHBondContact O-CB 3.41Å; A616-F619 PolarHBondContact O-N 3.16Å; F619-H623 AromaticContact CD2-CE1 3.81Å; F619-H623 AromaticContact CE2-CE1 3.5Å; F619-H623 VanDerWaalsContact CE2-CE1 3.5Å; F619-H623 WeakPolarHBondContact CE2-CE1 3.34Å; F619-H623 AromaticContact CE2-ND1 3.99Å; F619-H623 AromaticContact CZ-CE1 3.92Å; F619-H623 PolarHBondContact O-N 3.48Å; F619-H623 PolarHBondContact O-ND1 2.93Å; F619-Y642 HydrophobicContact CE1-CD2 4.17Å; F619-Y642 AromaticContact CZ-CD2 3.78Å; F619-Y642 HydrophobicContact CZ-CD2 3.78Å; F619-Y642 HydrophobicContact CZ-CG 4.46Å |
| 620 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.7 | -50.8 | 177.2 | -66.2 | 175.6 | 0 | 0 | 0 | 111.2 | T587 T590 L594 A616 C617 R618 E622 H623 Q624 W630 A656 L660 | T587-L620 HydrophobicContact CG2-CD2 4.2Å; T590-L620 HydrophobicContact CG2-CD1 3.99Å; T590-L620 HydrophobicContact CG2-CD2 4.12Å; T590-L620 HydrophobicContact CG2-CG 3.97Å; L594-L620 HydrophobicContact CD1-CD1 3.72Å; A616-L620 WeakPolarHBondContact O-CG 3.47Å; A616-L620 PolarHBondContact O-N 3.03Å; C617-L620 PolarHBondContact O-N 3.27Å; R618-L620 VanDerWaalsContact C-N 3.3Å; R618-L620 PolarHBondContact O-N 3.26Å; L620-E622 VanDerWaalsContact C-N 3.31Å; L620-E622 PolarHBondContact O-N 3.48Å; L620-H623 CarbonylContact O-C 3.47Å; L620-H623 PolarHBondContact O-N 2.98Å; L620-Q624 PolarHBondContact O-N 3.28Å; L620-W630 PolarHBondContact O-NE1 3.16Å; L620-A656 HydrophobicContact CD1-CB 4.48Å; L620-A656 HydrophobicContact CD2-CB 4.1Å; L620-L660 HydrophobicContact CB-CD2 4.48Å; L620-L660 HydrophobicContact CD1-CD2 4.34Å; L620-L660 HydrophobicContact CD1-CG 4.09Å |
| 621 | L | 98.9 | Very high | 98.7 | Very high | 41 Ų | 41 | 42.8 Ų | 42.8 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -34.2 | -176.7 | -68 | 165.3 | 0 | 0 | 0 | 113.4 | C617 R618 H623 Q624 L660 H665 A670 | C617-L621 WeakPolarHBondContact O-CB 3.32Å; C617-L621 WeakPolarHBondContact O-CD1 3.33Å; C617-L621 VanDerWaalsContact O-CG 3.25Å; C617-L621 WeakPolarHBondContact O-CG 3.5Å; C617-L621 PolarHBondContact O-N 3.1Å; R618-L621 PolarHBondContact O-N 2.96Å; L621-H623 PolarHBondContact O-N 2.87Å; L621-Q624 PolarHBondContact O-N 3Å; L621-L660 HydrophobicContact CD2-CD1 4.08Å; L621-L660 HydrophobicContact CG-CD2 4.27Å; L621-H665 WeakPolarHBondContact CD1-CE1 3.48Å; L621-A670 HydrophobicContact CD2-CB 3.51Å |
| 622 | E | 98.6 | Very high | 98.7 | Very high | 137 Ų | 137 | 39.1 Ų | 39.1 | 64% | 0.64 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -65.6 | -22.8 | 174.7 | -75.2 | 174 | 179.3 | 0 | 0 | 112.9 | R618 L620 | R618-E622 WeakPolarHBondContact CD-OE1 3.31Å; R618-E622 HydrophobicContact CG-CG 4.22Å; R618-E622 VanDerWaalsContact CG-OE1 3.25Å; R618-E622 WeakPolarHBondContact CG-OE1 3.37Å; R618-E622 WeakPolarHBondContact O-CB 3.4Å; R618-E622 WeakPolarHBondContact O-CG 3.35Å; R618-E622 PolarHBondContact O-N 3.31Å; L620-E622 VanDerWaalsContact C-N 3.31Å; L620-E622 PolarHBondContact O-N 3.48Å |
| 623 | H | 98.8 | Very high | 98.7 | Very high | 47 Ų | 47 | 39.3 Ų | 39.3 | 22% | 0.218 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 8 | 177.7 | -65.6 | 83.7 | 0 | 0 | 0 | 113.3 | F619 L620 L621 M625 W630 Y642 | F619-H623 AromaticContact CD2-CE1 3.81Å; F619-H623 AromaticContact CE2-CE1 3.5Å; F619-H623 VanDerWaalsContact CE2-CE1 3.5Å; F619-H623 WeakPolarHBondContact CE2-CE1 3.34Å; F619-H623 AromaticContact CE2-ND1 3.99Å; F619-H623 AromaticContact CZ-CE1 3.92Å; F619-H623 PolarHBondContact O-N 3.48Å; F619-H623 PolarHBondContact O-ND1 2.93Å; L620-H623 CarbonylContact O-C 3.47Å; L620-H623 PolarHBondContact O-N 2.98Å; L621-H623 PolarHBondContact O-N 2.87Å; H623-M625 PolarHBondContact O-N 3.42Å; H623-W630 VanDerWaalsContact O-CD1 3.27Å; H623-Y642 HydrophobicContact CB-CE1 4.3Å; H623-Y642 HydrophobicContact CB-CE2 4.25Å; H623-Y642 AromaticContact CD2-CD1 3.38Å; H623-Y642 WeakPolarHBondContact CD2-CD1 3.49Å; H623-Y642 AromaticContact CD2-CD2 3.94Å; H623-Y642 AromaticContact CD2-CE1 3.62Å; H623-Y642 AromaticContact CD2-CG 3.56Å; H623-Y642 AromaticContact NE2-CD1 3.95Å; H623-Y642 AromaticContact NE2-CG 3.77Å |
| 624 | Q | 98.9 | Very high | 98.7 | Very high | 29 Ų | 29 | 39.4 Ų | 39.4 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | trans | -68.9 | 126.1 | 172.8 | -165.7 | 175.4 | 24.7 | 0 | 0 | 109.9 | L620 L621 G628 W630 A670 | L620-Q624 PolarHBondContact O-N 3.28Å; L621-Q624 PolarHBondContact O-N 3Å; Q624-G628 PolarHBondContact NE2-O 3.26Å; Q624-W630 HydrophobicContact CB-CD2 4.47Å; Q624-W630 HydrophobicContact CB-CH2 3.96Å; Q624-W630 HydrophobicContact CB-CZ2 3.45Å; Q624-W630 VanDerWaalsContact CB-CZ2 3.45Å; Q624-W630 HydrophobicContact CG-CD2 4.31Å; Q624-W630 HydrophobicContact CG-CE3 4.24Å; Q624-W630 HydrophobicContact CG-CH2 3.5Å; Q624-W630 VanDerWaalsContact CG-CH2 3.5Å; Q624-W630 HydrophobicContact CG-CZ2 3.55Å; Q624-W630 HydrophobicContact CG-CZ3 3.85Å; Q624-W630 VanDerWaalsContact NE2-CH2 3.31Å; Q624-A670 PolarHBondContact NE2-O 2.64Å | ||
| 625 | M | 98.8 | Very high | 98.7 | Very high | 36 Ų | 36 | 36.7 Ų | 36.7 | 18% | 0.177 | 18% | 0.183 | C | C | . | . | trans | -75.2 | 164.1 | 179.5 | -59.9 | -179.8 | 73.4 | 0 | 0 | 111.5 | H623 D627 G628 G629 Q644 A648 | H623-M625 PolarHBondContact O-N 3.42Å; M625-D627 WeakPolarHBondContact CB-OD1 3.46Å; M625-D627 PolarHBondContact O-N 3.32Å; M625-G628 PolarHBondContact O-N 2.95Å; M625-G629 WeakPolarHBondContact CB-O 3.46Å; M625-G629 PolarHBondContact N-O 3.45Å; M625-Q644 PolarHBondContact SD-NE2 2.81Å; M625-A648 WeakPolarHBondContact SD-CA 3.43Å; M625-A648 HydrophobicContact SD-CB 3.83Å; M625-A648 PolarHBondContact SD-N 2.93Å; M625-A648 VanDerWaalsContact SD-N 3.37Å | ||
| 626 | S | 98.1 | Very high | 98.7 | Very high | 133 Ų | 133 | 33 Ų | 33 | 93% | 0.93 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -24.3 | -178.4 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 627 | D | 97.7 | Very high | 98.7 | Very high | 71 Ų | 71 | 33 Ų | 33 | 38% | 0.38 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -2.2 | 174.5 | 65 | 1 | 0 | 0 | 0 | 112.9 | M625 G629 A648 L677 | M625-D627 WeakPolarHBondContact CB-OD1 3.46Å; M625-D627 PolarHBondContact O-N 3.32Å; D627-G629 PolarHBondContact OD1-N 2.95Å; D627-A648 WeakPolarHBondContact OD2-CB 3.31Å; D627-L677 HydrophobicContact CB-CD1 3.8Å; D627-L677 WeakPolarHBondContact O-CD1 3.27Å; D627-L677 WeakPolarHBondContact OD2-CD1 3.36Å |
| 628 | G | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 93.7 | -9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q624 M625 W630 G674 | Q624-G628 PolarHBondContact NE2-O 3.26Å; M625-G628 PolarHBondContact O-N 2.95Å; G628-W630 WeakPolarHBondContact O-CZ3 3.46Å; G628-G674 WeakPolarHBondContact O-CA 3.41Å; G628-G674 PolarHBondContact O-N 2.82Å |
| 629 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -92.7 | -172.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | M625 D627 T653 | M625-G629 WeakPolarHBondContact CB-O 3.46Å; M625-G629 PolarHBondContact N-O 3.45Å; D627-G629 PolarHBondContact OD1-N 2.95Å; G629-T653 WeakPolarHBondContact CA-OG1 3.15Å | ||
| 630 | W | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -129.9 | 152.3 | 171.6 | -76.6 | -97.9 | 0 | 0 | 0 | 109.3 | T587 L620 H623 Q624 G628 A648 Q649 N652 T653 A656 L657 L660 | T587-W630 HydrophobicContact CG2-CB 4.21Å; T587-W630 HydrophobicContact CG2-CG 4.41Å; L620-W630 PolarHBondContact O-NE1 3.16Å; H623-W630 VanDerWaalsContact O-CD1 3.27Å; Q624-W630 HydrophobicContact CB-CD2 4.47Å; Q624-W630 HydrophobicContact CB-CH2 3.96Å; Q624-W630 HydrophobicContact CB-CZ2 3.45Å; Q624-W630 VanDerWaalsContact CB-CZ2 3.45Å; Q624-W630 HydrophobicContact CG-CD2 4.31Å; Q624-W630 HydrophobicContact CG-CE3 4.24Å; Q624-W630 HydrophobicContact CG-CH2 3.5Å; Q624-W630 VanDerWaalsContact CG-CH2 3.5Å; Q624-W630 HydrophobicContact CG-CZ2 3.55Å; Q624-W630 HydrophobicContact CG-CZ3 3.85Å; Q624-W630 VanDerWaalsContact NE2-CH2 3.31Å; G628-W630 WeakPolarHBondContact O-CZ3 3.46Å; W630-A648 CarbonylContact O-C 3.6Å; W630-A648 WeakPolarHBondContact O-CA 3.46Å; W630-Q649 PolarHBondContact O-N 3.25Å; W630-Q649 VanDerWaalsContact O-O 3.12Å; W630-N652 HydrophobicContact CB-CB 4.07Å; W630-T653 HydrophobicContact CE3-CG2 4.22Å; W630-T653 PolarHBondContact N-OG1 3.22Å; W630-T653 PolarHBondContact O-OG1 2.74Å; W630-A656 HydrophobicContact CB-CB 4.44Å; W630-A656 HydrophobicContact CD2-CB 3.46Å; W630-A656 VanDerWaalsContact CD2-CB 3.46Å; W630-A656 HydrophobicContact CE3-CB 3.8Å; W630-A656 HydrophobicContact CG-CB 3.76Å; W630-A656 HydrophobicContact CH2-CB 4.44Å; W630-A656 HydrophobicContact CZ2-CB 4.15Å; W630-A656 HydrophobicContact CZ3-CB 4.28Å; W630-L657 HydrophobicContact CH2-CD2 4.46Å; W630-L657 HydrophobicContact CZ3-CD2 4.11Å; W630-L657 HydrophobicContact CZ3-CG 4.18Å; W630-L660 HydrophobicContact CH2-CD1 4.2Å; W630-L660 HydrophobicContact CZ2-CD1 4.26Å | ||
| 631 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -158.7 | 126.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y642 Q644 S645 | G631-Y642 PolarHBondContact N-OH 3.38Å; G631-Y642 PolarHBondContact O-OH 2.79Å; G631-Q644 PolarHBondContact O-NE2 2.92Å; G631-Q644 VanDerWaalsContact O-NE2 3.09Å; G631-S645 VanDerWaalsContact CA-OG 3.23Å; G631-S645 WeakPolarHBondContact CA-OG 3.33Å; G631-S645 PolarHBondContact O-N 2.83Å; G631-S645 PolarHBondContact O-OG 3.03Å | ||
| 632 | E | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -115.9 | 136.8 | 175.8 | -67.7 | 179.1 | -104.4 | 0 | 0 | 110.1 | V584 C585 F586 T587 Y642 V643 N652 | V584-E632 HydrophobicContact CG1-CB 4.3Å; C585-E632 WeakPolarHBondContact CB-OE2 3.28Å; C585-E632 PolarHBondContact N-OE1 3.09Å; C585-E632 PolarHBondContact N-OE2 3.12Å; F586-E632 WeakPolarHBondContact CD2-OE2 3.43Å; F586-E632 PolarHBondContact N-OE1 2.64Å; F586-E632 PolarHBondContact N-OE2 3.14Å; T587-E632 VanDerWaalsContact CB-OE1 3.29Å; T587-E632 WeakPolarHBondContact CB-OE1 3.17Å; T587-E632 WeakPolarHBondContact CG2-OE1 3.44Å; T587-E632 PolarHBondContact N-OE1 2.95Å; T587-E632 PolarHBondContact OG1-OE1 3.3Å; E632-Y642 HydrophobicContact CG-CD1 4.3Å; E632-Y642 HydrophobicContact CG-CD2 3.89Å; E632-Y642 HydrophobicContact CG-CE1 3.8Å; E632-Y642 HydrophobicContact CG-CE2 3.33Å; E632-Y642 HydrophobicContact CG-CG 4.34Å; E632-V643 WeakPolarHBondContact CA-O 3.29Å; E632-N652 PolarHBondContact N-OD1 2.74Å |
| 633 | D | 98.8 | Very high | 98.6 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | trans | -80.5 | 151.2 | 165.4 | -92.6 | 5.8 | 0 | 0 | 0 | 109.5 | R10 E635 S636 V643 S645 | R10-D633 IonicContact CZ-OD1 3.23Å; R10-D633 IonicContact CZ-OD2 3.79Å; R10-D633 IonicContact NE-OD1 3.95Å; R10-D633 IonicContact NE-OD2 3.93Å; R10-D633 IonicContact NH2-OD2 3.75Å; R10-D633 PolarHBondContact NH2-OD2 3.07Å; D633-E635 PolarHBondContact O-N 3.08Å; D633-E635 VanDerWaalsContact O-N 3.1Å; D633-S636 VanDerWaalsContact O-CB 3.24Å; D633-S636 WeakPolarHBondContact O-CB 3.29Å; D633-S636 PolarHBondContact O-N 3.16Å; D633-S636 PolarHBondContact O-OG 3.41Å; D633-V643 HydrophobicContact CB-CB 4.49Å; D633-V643 HydrophobicContact CB-CG1 4.11Å; D633-V643 PolarHBondContact N-O 2.97Å; D633-S645 WeakPolarHBondContact OD1-CA 3.39Å; D633-S645 WeakPolarHBondContact OD1-CB 3.41Å | ||
| 634 | F | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -35.5 | 179.3 | 179.3 | -98.7 | 0 | 0 | 0 | 113.2 | H145 V584 S636 C637 E638 I693 V696 A702 | H145-F634 AromaticContact CE1-CD1 3.63Å; H145-F634 AromaticContact CE1-CE1 3.54Å; H145-F634 AromaticContact NE2-CD1 3.81Å; H145-F634 AromaticContact NE2-CE1 3.27Å; H145-F634 VanDerWaalsContact NE2-CE1 3.27Å; H145-F634 WeakPolarHBondContact NE2-CE1 3.48Å; H145-F634 AromaticContact NE2-CZ 3.83Å; V584-F634 HydrophobicContact CG2-CD2 3.86Å; V584-F634 HydrophobicContact CG2-CE2 4.38Å; F634-S636 PolarHBondContact O-N 2.84Å; F634-C637 WeakPolarHBondContact O-CB 3.37Å; F634-C637 PolarHBondContact O-N 2.95Å; F634-E638 HydrophobicContact CD1-CG 4.31Å; F634-E638 HydrophobicContact CE1-CG 3.94Å; F634-I693 HydrophobicContact CD2-CG2 4.19Å; F634-V696 HydrophobicContact CE2-CB 3.92Å; F634-V696 HydrophobicContact CE2-CG2 3.69Å; F634-V696 HydrophobicContact CZ-CG2 3.98Å; F634-A702 HydrophobicContact CD2-CB 3.65Å; F634-A702 VanDerWaalsContact CE2-CA 3.47Å; F634-A702 HydrophobicContact CE2-CB 3.4Å; F634-A702 HydrophobicContact CG-CB 4.37Å; F634-A702 HydrophobicContact CZ-CB 3.92Å |
| 635 | E | 98.6 | Very high | 98.6 | Very high | 21 Ų | 21 | 39.1 Ų | 39.1 | 10% | 0.098 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.2 | -15.6 | 176.3 | -72.6 | 88.8 | 151.8 | 0 | 0 | 113.8 | R8 R10 D633 C637 E638 Q639 V643 | R8-E635 IonicContact CZ-OE1 3.42Å; R8-E635 IonicContact NE-OE1 3.78Å; R8-E635 PolarHBondContact NE-OE1 3.36Å; R8-E635 IonicContact NH2-OE1 3.39Å; R8-E635 PolarHBondContact NH2-OE1 3.29Å; R10-E635 IonicContact CZ-OE1 3.32Å; R10-E635 IonicContact CZ-OE2 2.68Å; R10-E635 VanDerWaalsContact CZ-OE2 3.24Å; R10-E635 IonicContact NH1-OE1 2.64Å; R10-E635 IonicContact NH1-OE2 2.89Å; R10-E635 PolarHBondContact NH1-OE2 2.85Å; R10-E635 IonicContact NH2-OE1 3.59Å; R10-E635 PolarHBondContact NH2-OE1 2.89Å; R10-E635 IonicContact NH2-OE2 3.31Å; R10-E635 PolarHBondContact NH2-OE2 3.16Å; D633-E635 PolarHBondContact O-N 3.08Å; D633-E635 VanDerWaalsContact O-N 3.1Å; E635-C637 PolarHBondContact O-N 3.37Å; E635-E638 WeakPolarHBondContact CG-OE2 3.35Å; E635-E638 PolarHBondContact O-N 2.9Å; E635-Q639 VanDerWaalsContact O-CB 3.3Å; E635-Q639 WeakPolarHBondContact O-CB 3.49Å; E635-Q639 WeakPolarHBondContact O-CG 3.33Å; E635-Q639 PolarHBondContact O-N 3Å; E635-V643 HydrophobicContact CB-CG2 4.41Å |
| 636 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.3 | -36 | 170.3 | -55.4 | 0 | 0 | 0 | 0 | 112.1 | D633 F634 R640 R641 V643 | D633-S636 VanDerWaalsContact O-CB 3.24Å; D633-S636 WeakPolarHBondContact O-CB 3.29Å; D633-S636 PolarHBondContact O-N 3.16Å; D633-S636 PolarHBondContact O-OG 3.41Å; F634-S636 PolarHBondContact O-N 2.84Å; S636-R640 VanDerWaalsContact O-CA 3.26Å; S636-R640 WeakPolarHBondContact O-CA 3.37Å; S636-R640 PolarHBondContact O-N 3.5Å; S636-R641 WeakPolarHBondContact CA-O 3.03Å; S636-R641 WeakPolarHBondContact CB-O 3.48Å; S636-R641 PolarHBondContact O-N 3.13Å; S636-V643 WeakPolarHBondContact OG-CB 3.49Å; S636-V643 PolarHBondContact OG-N 3.42Å; S636-V643 PolarHBondContact OG-O 3.15Å |
| 637 | C | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.8 | -47.7 | 175.7 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | F634 E635 R640 V696 K699 | F634-C637 WeakPolarHBondContact O-CB 3.37Å; F634-C637 PolarHBondContact O-N 2.95Å; E635-C637 PolarHBondContact O-N 3.37Å; C637-R640 WeakPolarHBondContact O-CG 3.38Å; C637-R640 PolarHBondContact O-N 3.2Å; C637-V696 HydrophobicContact CB-CG2 3.92Å; C637-K699 CarbonylContact C-O 3.56Å; C637-K699 WeakPolarHBondContact CB-O 3.49Å |
| 638 | E | 97.9 | Very high | 98.5 | Very high | 44 Ų | 44 | 34.2 Ų | 34.2 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.4 | -47.2 | -179.1 | -63.2 | 178.3 | 158.9 | 0 | 0 | 111.5 | Y287 F634 E635 | Y287-E638 HydrophobicContact CE2-CB 4.11Å; Y287-E638 PolarHBondContact OH-O 3.07Å; F634-E638 HydrophobicContact CD1-CG 4.31Å; F634-E638 HydrophobicContact CE1-CG 3.94Å; E635-E638 WeakPolarHBondContact CG-OE2 3.35Å; E635-E638 PolarHBondContact O-N 2.9Å |
| 639 | Q | 98.6 | Very high | 98.6 | Very high | 90 Ų | 90 | 34.6 Ų | 34.6 | 42% | 0.421 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -86.9 | -7.9 | -176.5 | -59.9 | -178.1 | 36.1 | 0 | 0 | 113.2 | E635 R641 | E635-Q639 VanDerWaalsContact O-CB 3.3Å; E635-Q639 WeakPolarHBondContact O-CB 3.49Å; E635-Q639 WeakPolarHBondContact O-CG 3.33Å; E635-Q639 PolarHBondContact O-N 3Å; Q639-R641 HydrophobicContact CB-CG 4.03Å; Q639-R641 PolarHBondContact O-N 3.24Å |
| 640 | R | 98.4 | Very high | 98.6 | Very high | 107 Ų | 107 | 34.7 Ų | 34.7 | 40% | 0.404 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 38.2 | 178.7 | -50.3 | -173.2 | 65.8 | 175.1 | -0.4 | 113.1 | R573 E579 S636 C637 | R573-R640 PolarHBondContact NH1-O 3.12Å; R573-R640 PolarHBondContact NH2-O 2.88Å; E579-R640 WeakPolarHBondContact OE1-CG 3.46Å; E579-R640 IonicContact OE1-CZ 2.76Å; E579-R640 IonicContact OE1-NE 3.77Å; E579-R640 PolarHBondContact OE1-NE 3.35Å; E579-R640 IonicContact OE1-NH2 3.36Å; E579-R640 PolarHBondContact OE1-NH2 2.87Å; E579-R640 IonicContact OE2-CZ 3.68Å; E579-R640 IonicContact OE2-NE 3.84Å; E579-R640 PolarHBondContact OE2-NE 2.88Å; E579-R640 IonicContact OE2-NH2 3.99Å; E579-R640 PolarHBondContact OE2-NH2 3.27Å; S636-R640 VanDerWaalsContact O-CA 3.26Å; S636-R640 WeakPolarHBondContact O-CA 3.37Å; S636-R640 PolarHBondContact O-N 3.5Å; C637-R640 WeakPolarHBondContact O-CG 3.38Å; C637-R640 PolarHBondContact O-N 3.2Å |
| 641 | R | 98.7 | Very high | 98.6 | Very high | 147 Ų | 147 | 35.2 Ų | 35.2 | 56% | 0.555 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -151.3 | 157.1 | 175.6 | 67.3 | -176.7 | -176.7 | 116.8 | -0 | 109.5 | F586 S636 Q639 V643 | F586-R641 VanDerWaalsContact CE2-CA 3.42Å; F586-R641 WeakPolarHBondContact CE2-O 3.44Å; S636-R641 WeakPolarHBondContact CA-O 3.03Å; S636-R641 WeakPolarHBondContact CB-O 3.48Å; S636-R641 PolarHBondContact O-N 3.13Å; Q639-R641 HydrophobicContact CB-CG 4.03Å; Q639-R641 PolarHBondContact O-N 3.24Å; R641-V643 HydrophobicContact CG-CG2 4.39Å; R641-V643 PolarHBondContact O-N 3.09Å; R641-V643 VanDerWaalsContact O-N 3.14Å |
| 642 | Y | 98.8 | Very high | 98.6 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 11% | 0.106 | 19% | 0.187 | C | C | . | . | trans | -61.9 | 118.1 | 178.1 | -158.2 | -77.8 | 0 | 0 | 0 | 110.2 | F586 T587 F619 H623 G631 E632 Q644 | F586-Y642 HydrophobicContact CB-CD2 3.9Å; F586-Y642 HydrophobicContact CB-CE2 4.48Å; F586-Y642 HydrophobicContact CD2-CD2 4.32Å; F586-Y642 HydrophobicContact CG-CD2 4.4Å; T587-Y642 HydrophobicContact CG2-CE2 4.18Å; F619-Y642 HydrophobicContact CE1-CD2 4.17Å; F619-Y642 AromaticContact CZ-CD2 3.78Å; F619-Y642 HydrophobicContact CZ-CD2 3.78Å; F619-Y642 HydrophobicContact CZ-CG 4.46Å; H623-Y642 HydrophobicContact CB-CE1 4.3Å; H623-Y642 HydrophobicContact CB-CE2 4.25Å; H623-Y642 AromaticContact CD2-CD1 3.38Å; H623-Y642 WeakPolarHBondContact CD2-CD1 3.49Å; H623-Y642 AromaticContact CD2-CD2 3.94Å; H623-Y642 AromaticContact CD2-CE1 3.62Å; H623-Y642 AromaticContact CD2-CG 3.56Å; H623-Y642 AromaticContact NE2-CD1 3.95Å; H623-Y642 AromaticContact NE2-CG 3.77Å; G631-Y642 PolarHBondContact N-OH 3.38Å; G631-Y642 PolarHBondContact O-OH 2.79Å; E632-Y642 HydrophobicContact CG-CD1 4.3Å; E632-Y642 HydrophobicContact CG-CD2 3.89Å; E632-Y642 HydrophobicContact CG-CE1 3.8Å; E632-Y642 HydrophobicContact CG-CE2 3.33Å; E632-Y642 HydrophobicContact CG-CG 4.34Å; Y642-Q644 HydrophobicContact CE1-CB 4.37Å | ||
| 643 | V | 98.8 | Very high | 98.6 | Very high | 27 Ų | 27 | 35.1 Ų | 35.1 | 16% | 0.164 | 19% | 0.187 | C | C | . | . | trans | -110.6 | 102.4 | 171.8 | -178.5 | 0 | 0 | 0 | 0 | 107.1 | E632 D633 E635 S636 R641 S645 | E632-V643 WeakPolarHBondContact CA-O 3.29Å; D633-V643 HydrophobicContact CB-CB 4.49Å; D633-V643 HydrophobicContact CB-CG1 4.11Å; D633-V643 PolarHBondContact N-O 2.97Å; E635-V643 HydrophobicContact CB-CG2 4.41Å; S636-V643 WeakPolarHBondContact OG-CB 3.49Å; S636-V643 PolarHBondContact OG-N 3.42Å; S636-V643 PolarHBondContact OG-O 3.15Å; R641-V643 HydrophobicContact CG-CG2 4.39Å; R641-V643 PolarHBondContact O-N 3.09Å; R641-V643 VanDerWaalsContact O-N 3.14Å; V643-S645 PolarHBondContact O-N 2.7Å | ||
| 644 | Q | 98.7 | Very high | 98.6 | Very high | 82 Ų | 82 | 33.8 Ų | 33.8 | 38% | 0.383 | 18% | 0.18 | S | C | . | . | B | Isolated β-bridge | trans | -58.2 | 123.9 | -179.4 | 179.7 | 60.7 | 61.1 | 0 | 0 | 110.7 | M625 G631 Y642 | M625-Q644 PolarHBondContact SD-NE2 2.81Å; G631-Q644 PolarHBondContact O-NE2 2.92Å; G631-Q644 VanDerWaalsContact O-NE2 3.09Å; Y642-Q644 HydrophobicContact CE1-CB 4.37Å |
| 645 | S | 98.4 | Very high | 98.6 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | trans | -76.7 | 164.4 | 174.2 | 67.7 | 0 | 0 | 0 | 0 | 111.6 | G631 D633 V643 A647 | G631-S645 VanDerWaalsContact CA-OG 3.23Å; G631-S645 WeakPolarHBondContact CA-OG 3.33Å; G631-S645 PolarHBondContact O-N 2.83Å; G631-S645 PolarHBondContact O-OG 3.03Å; D633-S645 WeakPolarHBondContact OD1-CA 3.39Å; D633-S645 WeakPolarHBondContact OD1-CB 3.41Å; V643-S645 PolarHBondContact O-N 2.7Å; S645-A647 PolarHBondContact O-N 3.09Å; S645-A647 PolarHBondContact OG-O 3.13Å | ||
| 646 | G | 97.3 | Very high | 98.6 | Very high | 84 Ų | 84 | 32.7 Ų | 32.7 | 87% | 0.866 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -69.1 | -15.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 647 | A | 97.9 | Very high | 98.6 | Very high | 52 Ų | 52 | 32.7 Ų | 32.7 | 43% | 0.43 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -151.3 | 150 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S645 Q649 | S645-A647 PolarHBondContact O-N 3.09Å; S645-A647 PolarHBondContact OG-O 3.13Å; A647-Q649 PolarHBondContact O-N 2.82Å; A647-Q649 PolarHBondContact O-NE2 2.98Å |
| 648 | A | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -55.5 | 140.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | M625 D627 W630 L677 K681 | M625-A648 WeakPolarHBondContact SD-CA 3.43Å; M625-A648 HydrophobicContact SD-CB 3.83Å; M625-A648 PolarHBondContact SD-N 2.93Å; M625-A648 VanDerWaalsContact SD-N 3.37Å; D627-A648 WeakPolarHBondContact OD2-CB 3.31Å; W630-A648 CarbonylContact O-C 3.6Å; W630-A648 WeakPolarHBondContact O-CA 3.46Å; A648-L677 HydrophobicContact CB-CD1 3.93Å; A648-L677 HydrophobicContact CB-CD2 4.39Å; A648-K681 PolarHBondContact O-NZ 3.19Å | ||
| 649 | Q | 98.9 | Very high | 98.7 | Very high | 8 Ų | 8 | 30.5 Ų | 30.5 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | trans | -108.5 | 138.6 | 176.2 | -52.9 | -62.4 | -64.3 | 0 | 0 | 109.5 | W630 A647 H651 N652 T653 E691 N692 | W630-Q649 PolarHBondContact O-N 3.25Å; W630-Q649 VanDerWaalsContact O-O 3.12Å; A647-Q649 PolarHBondContact O-N 2.82Å; A647-Q649 PolarHBondContact O-NE2 2.98Å; Q649-H651 PolarHBondContact O-N 3.3Å; Q649-N652 HydrophobicContact CB-CB 4.24Å; Q649-N652 VanDerWaalsContact CB-OD1 3.26Å; Q649-N652 WeakPolarHBondContact CB-OD1 3.41Å; Q649-N652 WeakPolarHBondContact CG-OD1 3.45Å; Q649-N652 PolarHBondContact O-N 3.11Å; Q649-T653 VanDerWaalsContact O-CB 3.29Å; Q649-T653 WeakPolarHBondContact O-CB 3.25Å; Q649-T653 PolarHBondContact O-N 2.72Å; Q649-T653 PolarHBondContact O-OG1 3.06Å; Q649-E691 VanDerWaalsContact CA-OE2 3.24Å; Q649-E691 WeakPolarHBondContact CA-OE2 3.45Å; Q649-E691 VanDerWaalsContact OE1-CB 3.27Å; Q649-N692 VanDerWaalsContact OE1-CB 3.26Å | ||
| 650 | I | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.6 | -47.6 | -176.6 | -74 | 169.1 | 0 | 0 | 0 | 110.5 | T653 C654 L678 K681 W688 P689 E691 P713 | I650-T653 PolarHBondContact O-N 2.79Å; I650-C654 WeakPolarHBondContact O-CB 3.31Å; I650-C654 PolarHBondContact O-N 3.32Å; I650-C654 PolarHBondContact O-SG 3.4Å; I650-L678 HydrophobicContact CG1-CD2 4.49Å; I650-L678 HydrophobicContact CG2-CD2 4.17Å; I650-K681 HydrophobicContact CD1-CB 4.49Å; I650-K681 HydrophobicContact CD1-CD 4.17Å; I650-K681 HydrophobicContact CG1-CD 3.83Å; I650-W688 HydrophobicContact CD1-CB 3.86Å; I650-W688 HydrophobicContact CD1-CG 4.17Å; I650-P689 HydrophobicContact CD1-CG 4.08Å; I650-E691 WeakPolarHBondContact CB-OE2 3.3Å; I650-E691 WeakPolarHBondContact CG1-OE2 3.41Å; I650-E691 PolarHBondContact N-OE2 2.89Å; I650-P713 HydrophobicContact CG2-CG 3.36Å |
| 651 | H | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 21.1 Ų | 21.1 | 5% | 0.051 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.8 | -46.2 | -177.7 | 53.1 | -88.9 | 0 | 0 | 0 | 111.8 | Q649 T653 C654 W655 N692 | Q649-H651 PolarHBondContact O-N 3.3Å; H651-T653 VanDerWaalsContact C-N 3.35Å; H651-T653 PolarHBondContact O-N 3.08Å; H651-C654 PolarHBondContact O-N 3.49Å; H651-W655 HydrophobicContact CB-CH2 3.95Å; H651-W655 HydrophobicContact CB-CZ2 3.9Å; H651-W655 HydrophobicContact CB-CZ3 4.29Å; H651-W655 AromaticContact CD2-CH2 3.69Å; H651-W655 AromaticContact CD2-CZ3 3.56Å; H651-W655 PolarHBondContact O-N 3.28Å; H651-N692 PolarHBondContact CE1-O 3.44Å |
| 652 | N | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 176.4 | -60.3 | 133.3 | 0 | 0 | 0 | 112 | V584 T587 W630 E632 Q649 W655 A656 | V584-N652 PolarHBondContact O-ND2 3.25Å; T587-N652 HydrophobicContact CG2-CB 4.17Å; T587-N652 PolarHBondContact OG1-ND2 2.69Å; W630-N652 HydrophobicContact CB-CB 4.07Å; E632-N652 PolarHBondContact N-OD1 2.74Å; Q649-N652 HydrophobicContact CB-CB 4.24Å; Q649-N652 VanDerWaalsContact CB-OD1 3.26Å; Q649-N652 WeakPolarHBondContact CB-OD1 3.41Å; Q649-N652 WeakPolarHBondContact CG-OD1 3.45Å; Q649-N652 PolarHBondContact O-N 3.11Å; N652-W655 PolarHBondContact O-N 3Å; N652-A656 WeakPolarHBondContact O-CB 3.3Å; N652-A656 PolarHBondContact O-N 2.93Å |
| 653 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60 | -47.5 | 176.5 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | G629 W630 Q649 I650 H651 L657 L677 L678 | G629-T653 WeakPolarHBondContact CA-OG1 3.15Å; W630-T653 HydrophobicContact CE3-CG2 4.22Å; W630-T653 PolarHBondContact N-OG1 3.22Å; W630-T653 PolarHBondContact O-OG1 2.74Å; Q649-T653 VanDerWaalsContact O-CB 3.29Å; Q649-T653 WeakPolarHBondContact O-CB 3.25Å; Q649-T653 PolarHBondContact O-N 2.72Å; Q649-T653 PolarHBondContact O-OG1 3.06Å; I650-T653 PolarHBondContact O-N 2.79Å; H651-T653 VanDerWaalsContact C-N 3.35Å; H651-T653 PolarHBondContact O-N 3.08Å; T653-L657 HydrophobicContact CG2-CD1 3.78Å; T653-L657 HydrophobicContact CG2-CG 4.47Å; T653-L657 WeakPolarHBondContact O-CB 3.34Å; T653-L657 WeakPolarHBondContact O-CD1 3.24Å; T653-L657 WeakPolarHBondContact O-CG 3.43Å; T653-L657 PolarHBondContact O-N 3.48Å; T653-L677 HydrophobicContact CG2-CD2 4.17Å; T653-L678 HydrophobicContact CG2-CD1 4.47Å; T653-L678 HydrophobicContact CG2-CD2 4.03Å; T653-L678 HydrophobicContact CG2-CG 4.09Å |
| 654 | C | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 177.7 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | I650 H651 A656 L657 L658 F712 T716 | I650-C654 WeakPolarHBondContact O-CB 3.31Å; I650-C654 PolarHBondContact O-N 3.32Å; I650-C654 PolarHBondContact O-SG 3.4Å; H651-C654 PolarHBondContact O-N 3.49Å; C654-A656 PolarHBondContact O-N 3.26Å; C654-L657 PolarHBondContact O-N 3.06Å; C654-L658 WeakPolarHBondContact O-CB 3.38Å; C654-L658 VanDerWaalsContact O-CG 3.23Å; C654-L658 WeakPolarHBondContact O-CG 3.27Å; C654-L658 PolarHBondContact O-N 2.94Å; C654-F712 HydrophobicContact CB-CB 3.6Å; C654-F712 HydrophobicContact CB-CG 4.42Å; C654-T716 VanDerWaalsContact CB-OG1 3.25Å; C654-T716 WeakPolarHBondContact CB-OG1 3.43Å |
| 655 | W | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | -179.3 | -60.3 | -32.5 | 0 | 0 | 0 | 112.5 | V584 Y588 W591 H651 N652 L657 L658 G659 Y708 F712 | V584-W655 WeakPolarHBondContact O-CZ3 3.47Å; Y588-W655 AromaticContact CD2-CD2 3.82Å; Y588-W655 HydrophobicContact CD2-CD2 3.82Å; Y588-W655 AromaticContact CD2-CE2 3.59Å; Y588-W655 HydrophobicContact CD2-CE3 4Å; Y588-W655 HydrophobicContact CD2-CG 4.5Å; Y588-W655 AromaticContact CD2-CH2 3.74Å; Y588-W655 HydrophobicContact CD2-CH2 3.74Å; Y588-W655 AromaticContact CD2-CZ2 3.55Å; Y588-W655 HydrophobicContact CD2-CZ2 3.55Å; Y588-W655 AromaticContact CD2-CZ3 3.96Å; Y588-W655 HydrophobicContact CD2-CZ3 3.96Å; Y588-W655 HydrophobicContact CE2-CH2 4.48Å; Y588-W655 HydrophobicContact CE2-CZ2 4.05Å; Y588-W655 HydrophobicContact CG-CE3 4.33Å; Y588-W655 HydrophobicContact CG-CH2 4.35Å; Y588-W655 HydrophobicContact CG-CZ3 4.24Å; W591-W655 HydrophobicContact CB-CB 3.93Å; W591-W655 WeakPolarHBondContact CB-O 3.46Å; W591-W655 HydrophobicContact CD2-CG 4.49Å; W591-W655 HydrophobicContact CE3-CB 4.4Å; W591-W655 AromaticContact CE3-CD1 3.4Å; W591-W655 VanDerWaalsContact CE3-CD1 3.4Å; W591-W655 AromaticContact CE3-CG 3.96Å; W591-W655 HydrophobicContact CE3-CG 3.96Å; W591-W655 AromaticContact CE3-NE1 3.93Å; W591-W655 HydrophobicContact CG-CB 4.33Å; W591-W655 AromaticContact CZ3-CD1 3.76Å; W591-W655 AromaticContact CZ3-NE1 3.88Å; H651-W655 HydrophobicContact CB-CH2 3.95Å; H651-W655 HydrophobicContact CB-CZ2 3.9Å; H651-W655 HydrophobicContact CB-CZ3 4.29Å; H651-W655 AromaticContact CD2-CH2 3.69Å; H651-W655 AromaticContact CD2-CZ3 3.56Å; H651-W655 PolarHBondContact O-N 3.28Å; N652-W655 PolarHBondContact O-N 3Å; W655-L657 PolarHBondContact O-N 3.36Å; W655-L658 PolarHBondContact O-N 3.41Å; W655-G659 PolarHBondContact O-N 2.91Å; W655-Y708 HydrophobicContact CH2-CD2 4.33Å; W655-Y708 HydrophobicContact CH2-CE2 4.36Å; W655-Y708 AromaticContact CZ2-CD2 3.7Å; W655-Y708 HydrophobicContact CZ2-CD2 3.7Å; W655-Y708 AromaticContact CZ2-CE2 3.75Å; W655-Y708 HydrophobicContact CZ2-CE2 3.75Å; W655-F712 AromaticContact CD1-CD1 3.82Å; W655-F712 AromaticContact CD1-CE1 3.71Å; W655-F712 AromaticContact CE2-CE2 3.98Å; W655-F712 HydrophobicContact CZ2-CD2 4.48Å; W655-F712 HydrophobicContact CZ2-CE2 4.05Å; W655-F712 AromaticContact NE1-CD1 3.57Å; W655-F712 AromaticContact NE1-CD2 3.57Å; W655-F712 AromaticContact NE1-CE1 3.31Å; W655-F712 VanDerWaalsContact NE1-CE1 3.31Å; W655-F712 AromaticContact NE1-CE2 3.28Å; W655-F712 VanDerWaalsContact NE1-CE2 3.28Å; W655-F712 AromaticContact NE1-CG 3.71Å; W655-F712 AromaticContact NE1-CZ 3.17Å |
| 656 | A | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T587 L620 W630 N652 C654 G659 L660 | T587-A656 HydrophobicContact CG2-CB 4.31Å; L620-A656 HydrophobicContact CD1-CB 4.48Å; L620-A656 HydrophobicContact CD2-CB 4.1Å; W630-A656 HydrophobicContact CB-CB 4.44Å; W630-A656 HydrophobicContact CD2-CB 3.46Å; W630-A656 VanDerWaalsContact CD2-CB 3.46Å; W630-A656 HydrophobicContact CE3-CB 3.8Å; W630-A656 HydrophobicContact CG-CB 3.76Å; W630-A656 HydrophobicContact CH2-CB 4.44Å; W630-A656 HydrophobicContact CZ2-CB 4.15Å; W630-A656 HydrophobicContact CZ3-CB 4.28Å; N652-A656 WeakPolarHBondContact O-CB 3.3Å; N652-A656 PolarHBondContact O-N 2.93Å; C654-A656 PolarHBondContact O-N 3.26Å; A656-G659 PolarHBondContact O-N 3.18Å; A656-L660 WeakPolarHBondContact O-CB 3.18Å; A656-L660 VanDerWaalsContact O-CG 3.29Å; A656-L660 WeakPolarHBondContact O-CG 3.46Å; A656-L660 PolarHBondContact O-N 3.46Å |
| 657 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.3 | -44.8 | 178.7 | -70.4 | 170.5 | 0 | 0 | 0 | 112.6 | W630 T653 C654 W655 G659 L660 M661 I671 V675 L678 T716 | W630-L657 HydrophobicContact CH2-CD2 4.46Å; W630-L657 HydrophobicContact CZ3-CD2 4.11Å; W630-L657 HydrophobicContact CZ3-CG 4.18Å; T653-L657 HydrophobicContact CG2-CD1 3.78Å; T653-L657 HydrophobicContact CG2-CG 4.47Å; T653-L657 WeakPolarHBondContact O-CB 3.34Å; T653-L657 WeakPolarHBondContact O-CD1 3.24Å; T653-L657 WeakPolarHBondContact O-CG 3.43Å; T653-L657 PolarHBondContact O-N 3.48Å; C654-L657 PolarHBondContact O-N 3.06Å; W655-L657 PolarHBondContact O-N 3.36Å; L657-G659 VanDerWaalsContact C-N 3.31Å; L657-G659 PolarHBondContact O-N 2.86Å; L657-L660 PolarHBondContact O-N 3.35Å; L657-M661 HydrophobicContact CB-CE 4.16Å; L657-M661 VanDerWaalsContact O-CB 3.24Å; L657-M661 WeakPolarHBondContact O-CB 3.45Å; L657-M661 WeakPolarHBondContact O-CE 3.23Å; L657-M661 VanDerWaalsContact O-CG 3.28Å; L657-M661 WeakPolarHBondContact O-CG 3.42Å; L657-M661 PolarHBondContact O-N 3.2Å; L657-I671 HydrophobicContact CD2-CB 4.28Å; L657-I671 HydrophobicContact CD2-CG2 4.07Å; L657-I671 WeakPolarHBondContact CD2-O 3.3Å; L657-V675 HydrophobicContact CD1-CG2 4.32Å; L657-L678 HydrophobicContact CD1-CD1 3.94Å; L657-T716 HydrophobicContact CB-CG2 3.57Å; L657-T716 HydrophobicContact CD1-CG2 3.71Å; L657-T716 HydrophobicContact CG-CG2 4.31Å |
| 658 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.1 | -44.2 | 177.1 | -74.4 | 169 | 0 | 0 | 0 | 110.8 | W591 C654 W655 A662 F712 W715 T716 R719 | W591-L658 HydrophobicContact CG-CB 4.33Å; W591-L658 HydrophobicContact CZ2-CD1 4.13Å; C654-L658 WeakPolarHBondContact O-CB 3.38Å; C654-L658 VanDerWaalsContact O-CG 3.23Å; C654-L658 WeakPolarHBondContact O-CG 3.27Å; C654-L658 PolarHBondContact O-N 2.94Å; W655-L658 PolarHBondContact O-N 3.41Å; L658-A662 VanDerWaalsContact O-CB 3.27Å; L658-A662 WeakPolarHBondContact O-CB 3.49Å; L658-A662 PolarHBondContact O-N 3.32Å; L658-F712 HydrophobicContact CD1-CD1 3.8Å; L658-F712 HydrophobicContact CD1-CE1 4.25Å; L658-W715 HydrophobicContact CD2-CG 4.14Å; L658-T716 WeakPolarHBondContact CG-OG1 3.33Å; L658-R719 HydrophobicContact CD2-CB 4.45Å; L658-R719 PolarHBondContact O-NH1 2.97Å; L658-R719 VanDerWaalsContact O-NH1 3.08Å |
| 659 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.1 | -51.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | W655 A656 L657 M661 A662 V663 | W655-G659 PolarHBondContact O-N 2.91Å; A656-G659 PolarHBondContact O-N 3.18Å; L657-G659 VanDerWaalsContact C-N 3.31Å; L657-G659 PolarHBondContact O-N 2.86Å; G659-M661 VanDerWaalsContact C-N 3.3Å; G659-M661 PolarHBondContact O-N 3.45Å; G659-A662 WeakPolarHBondContact O-CB 3.36Å; G659-A662 PolarHBondContact O-N 3.03Å; G659-V663 PolarHBondContact O-N 2.94Å |
| 660 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.2 | -42.6 | 177.5 | -71.6 | 170.1 | 0 | 0 | 0 | 111.6 | C617 L620 L621 W630 A656 L657 R664 H665 I671 | C617-L660 HydrophobicContact CB-CD2 3.83Å; L620-L660 HydrophobicContact CB-CD2 4.48Å; L620-L660 HydrophobicContact CD1-CD2 4.34Å; L620-L660 HydrophobicContact CD1-CG 4.09Å; L621-L660 HydrophobicContact CD2-CD1 4.08Å; L621-L660 HydrophobicContact CG-CD2 4.27Å; W630-L660 HydrophobicContact CH2-CD1 4.2Å; W630-L660 HydrophobicContact CZ2-CD1 4.26Å; A656-L660 WeakPolarHBondContact O-CB 3.18Å; A656-L660 VanDerWaalsContact O-CG 3.29Å; A656-L660 WeakPolarHBondContact O-CG 3.46Å; A656-L660 PolarHBondContact O-N 3.46Å; L657-L660 PolarHBondContact O-N 3.35Å; L660-R664 PolarHBondContact O-N 2.95Å; L660-H665 HydrophobicContact CB-CB 4.27Å; L660-H665 HydrophobicContact CD2-CB 4.1Å; L660-H665 WeakPolarHBondContact O-CB 3.42Å; L660-H665 PolarHBondContact O-N 3.03Å; L660-I671 HydrophobicContact CB-CD1 4.49Å; L660-I671 HydrophobicContact CB-CG1 4.45Å |
| 661 | M | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.2 | -36.5 | 177.7 | -75.1 | -168 | -70.7 | 0 | 0 | 112.8 | L657 G659 V663 R664 I671 T716 R719 F720 L723 Y724 | L657-M661 HydrophobicContact CB-CE 4.16Å; L657-M661 VanDerWaalsContact O-CB 3.24Å; L657-M661 WeakPolarHBondContact O-CB 3.45Å; L657-M661 WeakPolarHBondContact O-CE 3.23Å; L657-M661 VanDerWaalsContact O-CG 3.28Å; L657-M661 WeakPolarHBondContact O-CG 3.42Å; L657-M661 PolarHBondContact O-N 3.2Å; G659-M661 VanDerWaalsContact C-N 3.3Å; G659-M661 PolarHBondContact O-N 3.45Å; M661-V663 VanDerWaalsContact C-N 3.29Å; M661-V663 PolarHBondContact O-N 3.26Å; M661-R664 WeakPolarHBondContact O-CD 3.15Å; M661-R664 PolarHBondContact O-N 3.49Å; M661-R664 PolarHBondContact O-NH1 3.33Å; M661-I671 HydrophobicContact CG-CD1 4.14Å; M661-I671 HydrophobicContact CG-CG2 4.09Å; M661-I671 HydrophobicContact SD-CG2 4.15Å; M661-T716 HydrophobicContact CE-CG2 3.78Å; M661-R719 HydrophobicContact CB-CG 4.35Å; M661-R719 HydrophobicContact CE-CB 4.02Å; M661-R719 HydrophobicContact CE-CG 4.11Å; M661-R719 HydrophobicContact SD-CB 4.43Å; M661-R719 HydrophobicContact SD-CG 4.17Å; M661-F720 HydrophobicContact CE-CB 4.36Å; M661-F720 VanDerWaalsContact SD-CA 3.6Å; M661-F720 HydrophobicContact SD-CB 3.84Å; M661-F720 HydrophobicContact SD-CD2 4.21Å; M661-L723 HydrophobicContact CB-CD1 3.78Å; M661-L723 HydrophobicContact CG-CD1 4.2Å; M661-L723 HydrophobicContact SD-CD1 4.2Å; M661-Y724 HydrophobicContact CG-CE2 4.1Å; M661-Y724 HydrophobicContact SD-CE2 4.09Å |
| 662 | A | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 5% | 0.05 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.4 | -45.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E595 A598 L658 G659 R664 | E595-A662 HydrophobicContact CG-CB 4.38Å; E595-A662 WeakPolarHBondContact OE2-CB 3.46Å; A598-A662 HydrophobicContact CB-CB 4Å; L658-A662 VanDerWaalsContact O-CB 3.27Å; L658-A662 WeakPolarHBondContact O-CB 3.49Å; L658-A662 PolarHBondContact O-N 3.32Å; G659-A662 WeakPolarHBondContact O-CB 3.36Å; G659-A662 PolarHBondContact O-N 3.03Å; A662-R664 VanDerWaalsContact C-N 3.29Å; A662-R664 PolarHBondContact O-N 3.09Å |
| 663 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 8 | 177.8 | -60.9 | 0 | 0 | 0 | 0 | 114.1 | L594 A598 T603 Y604 V613 C617 G659 M661 H665 | L594-V663 HydrophobicContact CB-CG1 4.12Å; L594-V663 HydrophobicContact CD2-CG1 3.82Å; L594-V663 HydrophobicContact CD2-CG2 4.09Å; A598-V663 HydrophobicContact CB-CG1 4.11Å; T603-V663 WeakPolarHBondContact CA-O 3.04Å; T603-V663 WeakPolarHBondContact CB-O 3.39Å; Y604-V663 HydrophobicContact CD2-CB 4.48Å; Y604-V663 HydrophobicContact CD2-CG2 4.21Å; Y604-V663 WeakPolarHBondContact CD2-O 3.19Å; Y604-V663 HydrophobicContact CE2-CG2 4.31Å; Y604-V663 PolarHBondContact N-O 3.06Å; V613-V663 HydrophobicContact CG1-CB 3.82Å; V613-V663 HydrophobicContact CG1-CG1 3.88Å; V613-V663 HydrophobicContact CG1-CG2 3.89Å; V613-V663 HydrophobicContact CG2-CG1 4.48Å; C617-V663 VanDerWaalsContact SG-CG2 3.58Å; G659-V663 PolarHBondContact O-N 2.94Å; M661-V663 VanDerWaalsContact C-N 3.29Å; M661-V663 PolarHBondContact O-N 3.26Å; V663-H665 VanDerWaalsContact C-N 3.34Å; V663-H665 PolarHBondContact O-N 3.43Å |
| 664 | R | 98.5 | Very high | 98.5 | Very high | 87 Ų | 87 | 29.8 Ų | 29.8 | 33% | 0.328 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 40.4 | 177.2 | -48.2 | -62.4 | -179.4 | -128.4 | 4.4 | 113.2 | Y604 K605 L660 M661 A662 | Y604-R664 WeakPolarHBondContact CB-O 3.47Å; K605-R664 HydrophobicContact CD-CG 4.28Å; K605-R664 HydrophobicContact CG-CB 4.15Å; K605-R664 HydrophobicContact CG-CG 4.34Å; L660-R664 PolarHBondContact O-N 2.95Å; M661-R664 WeakPolarHBondContact O-CD 3.15Å; M661-R664 PolarHBondContact O-N 3.49Å; M661-R664 PolarHBondContact O-NH1 3.33Å; A662-R664 VanDerWaalsContact C-N 3.29Å; A662-R664 PolarHBondContact O-N 3.09Å |
| 665 | H | 98.5 | Very high | 98.5 | Very high | 19 Ų | 19 | 29.8 Ų | 29.8 | 9% | 0.088 | 14% | 0.142 | C | C | . | . | trans | -52.6 | 136 | -179.3 | -171.2 | -87.9 | 0 | 0 | 0 | 111.5 | Y604 C617 L621 L660 V663 D667 | Y604-H665 HydrophobicContact CD2-CB 4.48Å; Y604-H665 AromaticContact CE2-CD2 3.59Å; Y604-H665 AromaticContact CZ-CD2 3.59Å; C617-H665 VanDerWaalsContact CB-CD2 3.46Å; C617-H665 WeakPolarHBondContact CB-CD2 3.4Å; L621-H665 WeakPolarHBondContact CD1-CE1 3.48Å; L660-H665 HydrophobicContact CB-CB 4.27Å; L660-H665 HydrophobicContact CD2-CB 4.1Å; L660-H665 WeakPolarHBondContact O-CB 3.42Å; L660-H665 PolarHBondContact O-N 3.03Å; V663-H665 VanDerWaalsContact C-N 3.34Å; V663-H665 PolarHBondContact O-N 3.43Å; H665-D667 VanDerWaalsContact CE1-CB 3.44Å; H665-D667 WeakPolarHBondContact CE1-CB 3.34Å; H665-D667 WeakPolarHBondContact ND1-CB 3.49Å; H665-D667 PolarHBondContact ND1-N 3.2Å; H665-D667 VanDerWaalsContact ND1-N 3.16Å; H665-D667 PolarHBondContact O-N 3.04Å | ||
| 666 | P | 97.4 | Very high | 98.5 | Very high | 94 Ų | 94 | 33 Ų | 33 | 61% | 0.61 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -76.5 | -17.7 | -170 | 28.8 | -36.9 | 0 | 0 | 0 | 114.8 | Y604 Q668 | Y604-P666 HydrophobicContact CD1-CG 4.13Å; Y604-P666 HydrophobicContact CE1-CG 4.42Å; P666-Q668 VanDerWaalsContact C-N 3.29Å; P666-Q668 PolarHBondContact O-N 2.64Å |
| 667 | D | 97.7 | Very high | 98.5 | Very high | 60 Ų | 60 | 33.3 Ų | 33.3 | 32% | 0.321 | 16% | 0.159 | S | C | . | . | trans | -75.2 | 80.4 | 177.9 | -169 | -13.8 | 0 | 0 | 0 | 111.6 | H665 Q669 A670 I671 | H665-D667 VanDerWaalsContact CE1-CB 3.44Å; H665-D667 WeakPolarHBondContact CE1-CB 3.34Å; H665-D667 WeakPolarHBondContact ND1-CB 3.49Å; H665-D667 PolarHBondContact ND1-N 3.2Å; H665-D667 VanDerWaalsContact ND1-N 3.16Å; H665-D667 PolarHBondContact O-N 3.04Å; D667-Q669 VanDerWaalsContact C-N 3.28Å; D667-Q669 PolarHBondContact O-N 2.96Å; D667-Q669 PolarHBondContact OD1-N 3.38Å; D667-A670 HydrophobicContact CB-CB 4.22Å; D667-A670 VanDerWaalsContact CG-CB 3.5Å; D667-A670 PolarHBondContact O-N 3.04Å; D667-A670 PolarHBondContact OD1-N 2.7Å; D667-I671 PolarHBondContact O-N 3Å | ||
| 668 | Q | 96.9 | Very high | 98.5 | Very high | 67 Ų | 67 | 33.3 Ų | 33.3 | 31% | 0.313 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.6 | -32.6 | 177.5 | -179 | 175.9 | -26 | 0 | 0 | 112.3 | P666 I671 E672 Y724 | P666-Q668 VanDerWaalsContact C-N 3.29Å; P666-Q668 PolarHBondContact O-N 2.64Å; Q668-I671 PolarHBondContact O-N 3.42Å; Q668-E672 HydrophobicContact CG-CG 4.19Å; Q668-E672 PolarHBondContact NE2-OE1 3.34Å; Q668-E672 WeakPolarHBondContact O-CB 3.42Å; Q668-E672 WeakPolarHBondContact O-CG 3.42Å; Q668-E672 PolarHBondContact O-N 3.03Å; Q668-Y724 HydrophobicContact CB-CE1 4.37Å; Q668-Y724 HydrophobicContact CG-CD1 3.96Å; Q668-Y724 HydrophobicContact CG-CE1 4.11Å |
| 669 | Q | 97.9 | Very high | 98.5 | Very high | 139 Ų | 139 | 33.5 Ų | 33.5 | 65% | 0.65 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -67 | -40.7 | -178.9 | -68.1 | -177.3 | 1.2 | 0 | 0 | 111.3 | D667 I671 E672 R673 | D667-Q669 VanDerWaalsContact C-N 3.28Å; D667-Q669 PolarHBondContact O-N 2.96Å; D667-Q669 PolarHBondContact OD1-N 3.38Å; Q669-I671 VanDerWaalsContact C-N 3.31Å; Q669-I671 PolarHBondContact O-N 3.03Å; Q669-E672 PolarHBondContact O-N 3.46Å; Q669-R673 WeakPolarHBondContact O-CG 3.3Å; Q669-R673 PolarHBondContact O-N 3.14Å; Q669-R673 VanDerWaalsContact O-N 3.07Å |
| 670 | A | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.8 | -41.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L621 Q624 D667 G674 | L621-A670 HydrophobicContact CD2-CB 3.51Å; Q624-A670 PolarHBondContact NE2-O 2.64Å; D667-A670 HydrophobicContact CB-CB 4.22Å; D667-A670 VanDerWaalsContact CG-CB 3.5Å; D667-A670 PolarHBondContact O-N 3.04Å; D667-A670 PolarHBondContact OD1-N 2.7Å; A670-G674 PolarHBondContact O-N 2.67Å |
| 671 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -47.6 | 176.9 | -65.2 | 169 | 0 | 0 | 0 | 110.5 | L657 L660 M661 D667 Q668 Q669 R673 G674 V675 F720 Y724 | L657-I671 HydrophobicContact CD2-CB 4.28Å; L657-I671 HydrophobicContact CD2-CG2 4.07Å; L657-I671 WeakPolarHBondContact CD2-O 3.3Å; L660-I671 HydrophobicContact CB-CD1 4.49Å; L660-I671 HydrophobicContact CB-CG1 4.45Å; M661-I671 HydrophobicContact CG-CD1 4.14Å; M661-I671 HydrophobicContact CG-CG2 4.09Å; M661-I671 HydrophobicContact SD-CG2 4.15Å; D667-I671 PolarHBondContact O-N 3Å; Q668-I671 PolarHBondContact O-N 3.42Å; Q669-I671 VanDerWaalsContact C-N 3.31Å; Q669-I671 PolarHBondContact O-N 3.03Å; I671-R673 VanDerWaalsContact C-N 3.31Å; I671-R673 PolarHBondContact O-N 3.21Å; I671-G674 PolarHBondContact O-N 3.01Å; I671-G674 VanDerWaalsContact O-N 3.15Å; I671-V675 HydrophobicContact CG2-CG2 4.33Å; I671-V675 WeakPolarHBondContact O-CG2 3.49Å; I671-V675 PolarHBondContact O-N 3.34Å; I671-F720 HydrophobicContact CG2-CD2 3.67Å; I671-F720 HydrophobicContact CG2-CE2 3.88Å; I671-Y724 HydrophobicContact CD1-CE2 4.38Å; I671-Y724 VanDerWaalsContact CD1-OH 3.3Å; I671-Y724 WeakPolarHBondContact CD1-OH 3.44Å; I671-Y724 HydrophobicContact CG2-CE2 4.35Å |
| 672 | E | 98.7 | Very high | 98.4 | Very high | 44 Ų | 44 | 43.2 Ų | 43.2 | 21% | 0.206 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -38 | 179.5 | -78.3 | 175.5 | 167.6 | 0 | 0 | 112.8 | Q668 Q669 G674 V675 Q676 F720 S727 L729 | Q668-E672 HydrophobicContact CG-CG 4.19Å; Q668-E672 PolarHBondContact NE2-OE1 3.34Å; Q668-E672 WeakPolarHBondContact O-CB 3.42Å; Q668-E672 WeakPolarHBondContact O-CG 3.42Å; Q668-E672 PolarHBondContact O-N 3.03Å; Q669-E672 PolarHBondContact O-N 3.46Å; E672-G674 PolarHBondContact O-N 2.93Å; E672-V675 PolarHBondContact O-N 3.03Å; E672-Q676 VanDerWaalsContact O-CB 3.3Å; E672-Q676 WeakPolarHBondContact O-CB 3.27Å; E672-Q676 PolarHBondContact O-N 3.41Å; E672-F720 HydrophobicContact CG-CE2 3.94Å; E672-F720 HydrophobicContact CG-CZ 3.74Å; E672-S727 VanDerWaalsContact OE1-CB 3.28Å; E672-S727 WeakPolarHBondContact OE1-CB 3.26Å; E672-S727 PolarHBondContact OE1-OG 3.26Å; E672-L729 HydrophobicContact CB-CD2 4.19Å; E672-L729 HydrophobicContact CG-CD2 4.4Å; E672-L729 VanDerWaalsContact O-CD2 3.28Å; E672-L729 WeakPolarHBondContact O-CD2 3.32Å |
| 673 | R | 98.7 | Very high | 98.4 | Very high | 109 Ų | 109 | 46.5 Ų | 46.5 | 41% | 0.411 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60 | -44.6 | 175 | -72.3 | -167.9 | -56.6 | -90.2 | 7.5 | 112.3 | Q669 I671 Q676 L677 | Q669-R673 WeakPolarHBondContact O-CG 3.3Å; Q669-R673 PolarHBondContact O-N 3.14Å; Q669-R673 VanDerWaalsContact O-N 3.07Å; I671-R673 VanDerWaalsContact C-N 3.31Å; I671-R673 PolarHBondContact O-N 3.21Å; R673-Q676 PolarHBondContact O-N 2.85Å; R673-L677 PolarHBondContact O-N 3.13Å; R673-L677 VanDerWaalsContact O-N 3.12Å |
| 674 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.1 | -40.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G628 A670 I671 E672 Q676 L677 L678 | G628-G674 WeakPolarHBondContact O-CA 3.41Å; G628-G674 PolarHBondContact O-N 2.82Å; A670-G674 PolarHBondContact O-N 2.67Å; I671-G674 PolarHBondContact O-N 3.01Å; I671-G674 VanDerWaalsContact O-N 3.15Å; E672-G674 PolarHBondContact O-N 2.93Å; G674-Q676 VanDerWaalsContact C-N 3.33Å; G674-Q676 PolarHBondContact O-N 3.27Å; G674-L677 WeakPolarHBondContact O-CB 3.43Å; G674-L677 PolarHBondContact O-N 2.99Å; G674-L678 WeakPolarHBondContact O-CG 3.48Å; G674-L678 PolarHBondContact O-N 3.04Å; G674-L678 VanDerWaalsContact O-N 3.11Å |
| 675 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 174.4 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | A74 L657 I671 E672 L677 L678 V679 L717 F720 L729 | A74-V675 HydrophobicContact CB-CG1 3.78Å; L657-V675 HydrophobicContact CD1-CG2 4.32Å; I671-V675 HydrophobicContact CG2-CG2 4.33Å; I671-V675 WeakPolarHBondContact O-CG2 3.49Å; I671-V675 PolarHBondContact O-N 3.34Å; E672-V675 PolarHBondContact O-N 3.03Å; V675-L677 VanDerWaalsContact C-N 3.29Å; V675-L677 PolarHBondContact O-N 3.3Å; V675-L678 PolarHBondContact O-N 3.11Å; V675-L678 VanDerWaalsContact O-N 3.16Å; V675-V679 WeakPolarHBondContact O-CG2 3.26Å; V675-V679 PolarHBondContact O-N 3.14Å; V675-L717 HydrophobicContact CG1-CD2 3.66Å; V675-F720 HydrophobicContact CG1-CD1 3.8Å; V675-F720 HydrophobicContact CG1-CE1 4.01Å; V675-F720 HydrophobicContact CG1-CG 4.17Å; V675-F720 HydrophobicContact CG2-CB 4.06Å; V675-F720 HydrophobicContact CG2-CD1 4.19Å; V675-F720 HydrophobicContact CG2-CD2 3.69Å; V675-F720 HydrophobicContact CG2-CE2 4.17Å; V675-F720 HydrophobicContact CG2-CG 3.7Å; V675-L729 HydrophobicContact CB-CD2 3.85Å; V675-L729 HydrophobicContact CG1-CD2 3.63Å; V675-L729 HydrophobicContact CG1-CG 4Å |
| 676 | Q | 98.6 | Very high | 98.3 | Very high | 68 Ų | 68 | 46.6 Ų | 46.6 | 32% | 0.318 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.1 | -40.3 | 177.6 | -177.3 | 65 | 66 | 0 | 0 | 111.6 | E672 R673 G674 V679 Q680 L729 | E672-Q676 VanDerWaalsContact O-CB 3.3Å; E672-Q676 WeakPolarHBondContact O-CB 3.27Å; E672-Q676 PolarHBondContact O-N 3.41Å; R673-Q676 PolarHBondContact O-N 2.85Å; G674-Q676 VanDerWaalsContact C-N 3.33Å; G674-Q676 PolarHBondContact O-N 3.27Å; Q676-V679 PolarHBondContact O-N 2.67Å; Q676-Q680 WeakPolarHBondContact O-CB 3.17Å; Q676-Q680 VanDerWaalsContact O-CG 3.26Å; Q676-Q680 WeakPolarHBondContact O-CG 3.2Å; Q676-Q680 PolarHBondContact O-N 2.91Å; Q676-L729 HydrophobicContact CB-CD2 4.08Å; Q676-L729 VanDerWaalsContact OE1-CD1 3.23Å |
| 677 | L | 98.7 | Very high | 98.4 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 174.7 | 178.8 | 137.2 | 0 | 0 | 0 | 111.8 | D627 A648 T653 R673 G674 V675 V679 Q680 K681 | D627-L677 HydrophobicContact CB-CD1 3.8Å; D627-L677 WeakPolarHBondContact O-CD1 3.27Å; D627-L677 WeakPolarHBondContact OD2-CD1 3.36Å; A648-L677 HydrophobicContact CB-CD1 3.93Å; A648-L677 HydrophobicContact CB-CD2 4.39Å; T653-L677 HydrophobicContact CG2-CD2 4.17Å; R673-L677 PolarHBondContact O-N 3.13Å; R673-L677 VanDerWaalsContact O-N 3.12Å; G674-L677 WeakPolarHBondContact O-CB 3.43Å; G674-L677 PolarHBondContact O-N 2.99Å; V675-L677 VanDerWaalsContact C-N 3.29Å; V675-L677 PolarHBondContact O-N 3.3Å; L677-V679 VanDerWaalsContact C-N 3.34Å; L677-V679 PolarHBondContact O-N 3.4Å; L677-Q680 PolarHBondContact O-N 3.02Å; L677-K681 HydrophobicContact CD2-CD 3.92Å; L677-K681 HydrophobicContact CD2-CG 4.48Å; L677-K681 HydrophobicContact CG-CD 4.4Å; L677-K681 WeakPolarHBondContact O-CG 3.49Å; L677-K681 PolarHBondContact O-N 2.84Å |
| 678 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 177.4 | -65.7 | 177.9 | 0 | 0 | 0 | 112.3 | I650 T653 L657 G674 V675 K681 Q682 W688 T716 L717 | I650-L678 HydrophobicContact CG1-CD2 4.49Å; I650-L678 HydrophobicContact CG2-CD2 4.17Å; T653-L678 HydrophobicContact CG2-CD1 4.47Å; T653-L678 HydrophobicContact CG2-CD2 4.03Å; T653-L678 HydrophobicContact CG2-CG 4.09Å; L657-L678 HydrophobicContact CD1-CD1 3.94Å; G674-L678 WeakPolarHBondContact O-CG 3.48Å; G674-L678 PolarHBondContact O-N 3.04Å; G674-L678 VanDerWaalsContact O-N 3.11Å; V675-L678 PolarHBondContact O-N 3.11Å; V675-L678 VanDerWaalsContact O-N 3.16Å; L678-K681 PolarHBondContact O-N 2.76Å; L678-Q682 PolarHBondContact O-N 3.21Å; L678-W688 PolarHBondContact O-NE1 3.45Å; L678-T716 HydrophobicContact CD1-CG2 3.88Å; L678-L717 HydrophobicContact CB-CD2 4.25Å |
| 679 | V | 98.6 | Very high | 98.5 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.024 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 175.1 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | S71 A77 V675 Q676 L677 K681 Q682 L717 | S71-V679 WeakPolarHBondContact O-CG1 3.27Å; A77-V679 HydrophobicContact CB-CG2 3.99Å; V675-V679 WeakPolarHBondContact O-CG2 3.26Å; V675-V679 PolarHBondContact O-N 3.14Å; Q676-V679 PolarHBondContact O-N 2.67Å; L677-V679 VanDerWaalsContact C-N 3.34Å; L677-V679 PolarHBondContact O-N 3.4Å; V679-K681 VanDerWaalsContact C-N 3.35Å; V679-K681 PolarHBondContact O-N 2.77Å; V679-Q682 WeakPolarHBondContact O-CB 3.47Å; V679-Q682 PolarHBondContact O-N 3.14Å; V679-L717 HydrophobicContact CG2-CD2 4Å |
| 680 | Q | 98.3 | Very high | 98.5 | Very high | 138 Ų | 138 | 35.1 Ų | 35.1 | 65% | 0.645 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -68.6 | -30.3 | 179.9 | -75.1 | 172.6 | 3 | 0 | 0 | 113.6 | Q676 L677 Q682 | Q676-Q680 WeakPolarHBondContact O-CB 3.17Å; Q676-Q680 VanDerWaalsContact O-CG 3.26Å; Q676-Q680 WeakPolarHBondContact O-CG 3.2Å; Q676-Q680 PolarHBondContact O-N 2.91Å; L677-Q680 PolarHBondContact O-N 3.02Å; Q680-Q682 VanDerWaalsContact C-N 3.31Å |
| 681 | K | 98.5 | Very high | 98.5 | Very high | 46 Ų | 46 | 36.6 Ų | 36.6 | 20% | 0.2 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -78.5 | -12 | 177.5 | -75.7 | -168.8 | 174.3 | -164.5 | 0 | 113.9 | A648 I650 L677 L678 V679 L683 P689 E691 | A648-K681 PolarHBondContact O-NZ 3.19Å; I650-K681 HydrophobicContact CD1-CB 4.49Å; I650-K681 HydrophobicContact CD1-CD 4.17Å; I650-K681 HydrophobicContact CG1-CD 3.83Å; L677-K681 HydrophobicContact CD2-CD 3.92Å; L677-K681 HydrophobicContact CD2-CG 4.48Å; L677-K681 HydrophobicContact CG-CD 4.4Å; L677-K681 WeakPolarHBondContact O-CG 3.49Å; L677-K681 PolarHBondContact O-N 2.84Å; L678-K681 PolarHBondContact O-N 2.76Å; V679-K681 VanDerWaalsContact C-N 3.35Å; V679-K681 PolarHBondContact O-N 2.77Å; K681-L683 PolarHBondContact O-N 2.89Å; K681-P689 WeakPolarHBondContact O-CD 3.38Å; K681-E691 IonicContact NZ-OE1 3.15Å; K681-E691 PolarHBondContact NZ-OE1 3.05Å |
| 682 | Q | 98.7 | Very high | 98.5 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | trans | -66.2 | 134.3 | -178.4 | -166.8 | 177.7 | 36.7 | 0 | 0 | 110.9 | S71 A77 L678 V679 Q680 G686 W688 | S71-Q682 PolarHBondContact OG-OE1 3.25Å; A77-Q682 VanDerWaalsContact CA-OE1 3.22Å; A77-Q682 VanDerWaalsContact CB-OE1 3.3Å; A77-Q682 PolarHBondContact O-NE2 2.66Å; L678-Q682 PolarHBondContact O-N 3.21Å; V679-Q682 WeakPolarHBondContact O-CB 3.47Å; V679-Q682 PolarHBondContact O-N 3.14Å; Q680-Q682 VanDerWaalsContact C-N 3.31Å; Q682-G686 PolarHBondContact NE2-O 3.47Å; Q682-W688 HydrophobicContact CB-CZ2 3.96Å; Q682-W688 HydrophobicContact CG-CD2 4.21Å; Q682-W688 HydrophobicContact CG-CH2 4.12Å; Q682-W688 HydrophobicContact CG-CZ2 3.71Å | ||
| 683 | L | 98.5 | Very high | 98.5 | Very high | 74 Ų | 74 | 36 Ų | 36 | 39% | 0.387 | 17% | 0.173 | S | C | . | . | trans | -74.5 | 155.7 | 173.9 | -58.1 | -177.6 | 0 | 0 | 0 | 110.4 | K681 N685 G686 D687 | K681-L683 PolarHBondContact O-N 2.89Å; L683-N685 WeakPolarHBondContact CB-OD1 3.47Å; L683-N685 PolarHBondContact O-N 3Å; L683-N685 VanDerWaalsContact O-N 3.1Å; L683-G686 PolarHBondContact O-N 3.35Å; L683-D687 WeakPolarHBondContact CB-O 3.35Å; L683-D687 HydrophobicContact CD1-CB 4.23Å; L683-D687 PolarHBondContact N-O 2.76Å | ||
| 684 | L | 97.9 | Very high | 98.5 | Very high | 81 Ų | 81 | 31.1 Ų | 31.1 | 42% | 0.424 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.9 | -174.7 | -61.8 | -175.6 | 0 | 0 | 0 | 113.7 | D67 S68 A70 G686 | D67-L684 HydrophobicContact CB-CB 3.85Å; D67-L684 HydrophobicContact CB-CD1 4.43Å; S68-L684 PolarHBondContact N-O 3.39Å; S68-L684 PolarHBondContact OG-O 3.06Å; A70-L684 HydrophobicContact CB-CD2 4.33Å; L684-G686 VanDerWaalsContact C-N 3.34Å |
| 685 | N | 97.5 | Very high | 98.5 | Very high | 27 Ų | 27 | 31.1 Ų | 31.1 | 14% | 0.144 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -5.6 | 176.1 | 67.2 | 2.2 | 0 | 0 | 0 | 114 | V65 F84 L683 D687 | V65-N685 HydrophobicContact CG1-CB 4.13Å; V65-N685 HydrophobicContact CG2-CB 4.13Å; F84-N685 WeakPolarHBondContact CD2-O 3.14Å; L683-N685 WeakPolarHBondContact CB-OD1 3.47Å; L683-N685 PolarHBondContact O-N 3Å; L683-N685 VanDerWaalsContact O-N 3.1Å; N685-D687 WeakPolarHBondContact OD1-CB 3.32Å; N685-D687 PolarHBondContact OD1-N 3.02Å |
| 686 | G | 98.2 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 98 | -8.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | G81 Q682 L683 L684 W688 | G81-G686 WeakPolarHBondContact CA-O 3.4Å; Q682-G686 PolarHBondContact NE2-O 3.47Å; L683-G686 PolarHBondContact O-N 3.35Å; L684-G686 VanDerWaalsContact C-N 3.34Å; G686-W688 VanDerWaalsContact O-CZ3 3.28Å; G686-W688 WeakPolarHBondContact O-CZ3 3.04Å |
| 687 | D | 98.6 | Very high | 98.5 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 6% | 0.059 | 15% | 0.15 | C | C | . | . | trans | -73.4 | 173.6 | 171.8 | -158.7 | -3.4 | 0 | 0 | 0 | 110.7 | H55 F84 L683 N685 R709 N710 | H55-D687 IonicContact CD2-OD2 2.83Å; H55-D687 IonicContact CE1-OD2 3.86Å; H55-D687 IonicContact NE2-OD2 3.07Å; H55-D687 PolarHBondContact NE2-OD2 3.33Å; F84-D687 HydrophobicContact CD1-CB 3.76Å; F84-D687 HydrophobicContact CD2-CB 4.14Å; F84-D687 HydrophobicContact CE1-CB 3.39Å; F84-D687 WeakPolarHBondContact CE1-OD2 3.29Å; F84-D687 HydrophobicContact CE2-CB 3.79Å; F84-D687 HydrophobicContact CG-CB 4.14Å; F84-D687 HydrophobicContact CZ-CB 3.42Å; F84-D687 VanDerWaalsContact CZ-CB 3.42Å; F84-D687 VanDerWaalsContact CZ-CG 3.41Å; F84-D687 VanDerWaalsContact CZ-OD2 3.27Å; F84-D687 WeakPolarHBondContact CZ-OD2 3.29Å; L683-D687 WeakPolarHBondContact CB-O 3.35Å; L683-D687 HydrophobicContact CD1-CB 4.23Å; L683-D687 PolarHBondContact N-O 2.76Å; N685-D687 WeakPolarHBondContact OD1-CB 3.32Å; N685-D687 PolarHBondContact OD1-N 3.02Å; D687-R709 IonicContact OD1-NE 2.84Å; D687-N710 PolarHBondContact OD1-ND2 2.86Å; D687-N710 PolarHBondContact OD1-OD1 3Å; D687-N710 VanDerWaalsContact OD1-OD1 3.09Å | ||
| 688 | W | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | trans | -121.6 | 149.6 | 168.4 | -82 | -92.2 | 0 | 0 | 0 | 110.9 | I650 L678 Q682 G686 R709 P713 I714 L717 | I650-W688 HydrophobicContact CD1-CB 3.86Å; I650-W688 HydrophobicContact CD1-CG 4.17Å; L678-W688 PolarHBondContact O-NE1 3.45Å; Q682-W688 HydrophobicContact CB-CZ2 3.96Å; Q682-W688 HydrophobicContact CG-CD2 4.21Å; Q682-W688 HydrophobicContact CG-CH2 4.12Å; Q682-W688 HydrophobicContact CG-CZ2 3.71Å; G686-W688 VanDerWaalsContact O-CZ3 3.28Å; G686-W688 WeakPolarHBondContact O-CZ3 3.04Å; W688-R709 HydrophobicContact CB-CB 4.45Å; W688-R709 VanDerWaalsContact CB-O 3.28Å; W688-R709 WeakPolarHBondContact CB-O 3.37Å; W688-R709 VanDerWaalsContact O-CD 3.29Å; W688-R709 WeakPolarHBondContact O-CD 3.32Å; W688-R709 PolarHBondContact O-NE 3.25Å; W688-P713 HydrophobicContact CD2-CB 3.9Å; W688-P713 HydrophobicContact CD2-CG 4.07Å; W688-P713 HydrophobicContact CE3-CB 4.14Å; W688-P713 HydrophobicContact CE3-CG 4.46Å; W688-P713 HydrophobicContact CG-CG 4.3Å; W688-P713 HydrophobicContact CH2-CB 3.89Å; W688-P713 HydrophobicContact CZ2-CB 3.65Å; W688-P713 HydrophobicContact CZ3-CB 4.13Å; W688-I714 HydrophobicContact CZ3-CG1 4.28Å; W688-L717 HydrophobicContact CH2-CD1 4.29Å; W688-L717 HydrophobicContact CZ2-CD1 3.91Å | ||
| 689 | P | 98.6 | Very high | 98.4 | Very high | 43 Ų | 43 | 30.8 Ų | 30.8 | 28% | 0.279 | 15% | 0.154 | S | C | . | . | trans | -64 | 145.9 | -179.9 | 27.8 | -35.3 | 0 | 0 | 0 | 111.5 | I650 K681 | I650-P689 HydrophobicContact CD1-CG 4.08Å; K681-P689 WeakPolarHBondContact O-CD 3.38Å | ||
| 690 | Q | 98.6 | Very high | 98.4 | Very high | 64 Ų | 64 | 30.8 Ų | 30.8 | 30% | 0.299 | 15% | 0.154 | S | C | . | . | trans | -68.8 | 138.4 | 164.6 | -178.7 | 60.8 | 43.4 | 0 | 0 | 109.3 | ||||
| 691 | E | 98.6 | Very high | 98.4 | Very high | 31 Ų | 31 | 24.2 Ų | 24.2 | 15% | 0.145 | 12% | 0.124 | C | C | . | . | trans | -130.2 | -153.1 | 177.9 | -57.9 | 176.1 | 147 | 0 | 0 | 108.9 | G11 Q649 I650 K681 | G11-E691 WeakPolarHBondContact CA-O 3.43Å; Q649-E691 VanDerWaalsContact CA-OE2 3.24Å; Q649-E691 WeakPolarHBondContact CA-OE2 3.45Å; Q649-E691 VanDerWaalsContact OE1-CB 3.27Å; I650-E691 WeakPolarHBondContact CB-OE2 3.3Å; I650-E691 WeakPolarHBondContact CG1-OE2 3.41Å; I650-E691 PolarHBondContact N-OE2 2.89Å; K681-E691 IonicContact NZ-OE1 3.15Å; K681-E691 PolarHBondContact NZ-OE1 3.05Å | ||
| 692 | N | 98.7 | Very high | 98.4 | Very high | 27 Ų | 27 | 22 Ų | 22 | 14% | 0.144 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -63 | 159.6 | 179.8 | -61.5 | -11 | 0 | 0 | 0 | 111.8 | R10 E147 Q649 H651 | R10-N692 WeakPolarHBondContact CB-OD1 3.46Å; E147-N692 WeakPolarHBondContact OE1-CA 3.49Å; Q649-N692 VanDerWaalsContact OE1-CB 3.26Å; H651-N692 PolarHBondContact CE1-O 3.44Å |
| 693 | I | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.026 | 11% | 0.111 | C | C | . | . | trans | -62.2 | 138.8 | -179.6 | -160.8 | 150.4 | 0 | 0 | 0 | 111.9 | I146 E147 F634 A702 I703 | I146-I693 HydrophobicContact CD1-CD1 3.96Å; I146-I693 HydrophobicContact CG1-CD1 3.94Å; E147-I693 HydrophobicContact CB-CG2 4.49Å; E147-I693 HydrophobicContact CG-CB 4.18Å; E147-I693 HydrophobicContact CG-CG2 3.75Å; E147-I693 PolarHBondContact OE1-N 2.91Å; F634-I693 HydrophobicContact CD2-CG2 4.19Å; I693-A702 HydrophobicContact CB-CB 4.42Å; I693-A702 HydrophobicContact CD1-CB 3.54Å; I693-A702 HydrophobicContact CG1-CB 3.99Å; I693-A702 HydrophobicContact CG2-CB 3.67Å; I693-I703 VanDerWaalsContact CG1-O 3.27Å; I693-I703 WeakPolarHBondContact CG1-O 3.43Å | ||
| 694 | S | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 18.1 Ų | 18.1 | 4% | 0.042 | 10% | 0.095 | C | C | . | . | trans | -108.2 | -19 | -171.2 | 56 | 0 | 0 | 0 | 0 | 114.4 | G583 V584 | G583-S694 CarbonylContact C-O 3.51Å; G583-S694 VanDerWaalsContact CA-O 3.32Å; G583-S694 WeakPolarHBondContact CA-O 3.49Å; V584-S694 PolarHBondContact N-O 2.99Å | ||
| 695 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 151 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | A702 I703 | G695-A702 WeakPolarHBondContact O-CA 3.33Å; G695-I703 CarbonylContact C-O 3.58Å; G695-I703 WeakPolarHBondContact CA-O 3.35Å; G695-I703 PolarHBondContact N-O 3.5Å; G695-I703 PolarHBondContact O-N 3.39Å |
| 696 | V | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.018 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 150.4 | 174.7 | 60.8 | 0 | 0 | 0 | 0 | 109.8 | W582 V584 F634 C637 C701 | W582-V696 CarbonylContact C-O 3.45Å; W582-V696 VanDerWaalsContact CA-O 3.32Å; W582-V696 WeakPolarHBondContact CA-O 3.38Å; W582-V696 PolarHBondContact O-N 2.85Å; V584-V696 HydrophobicContact CG2-CB 4.09Å; V584-V696 HydrophobicContact CG2-CG1 4.31Å; F634-V696 HydrophobicContact CE2-CB 3.92Å; F634-V696 HydrophobicContact CE2-CG2 3.69Å; F634-V696 HydrophobicContact CZ-CG2 3.98Å; C637-V696 HydrophobicContact CB-CG2 3.92Å; V696-C701 CarbonylContact C-O 3.59Å; V696-C701 WeakPolarHBondContact CA-O 3.07Å |
| 697 | F | 97.8 | Very high | 98.6 | Very high | 40 Ų | 40 | 15 Ų | 15 | 18% | 0.175 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 148.4 | 159.8 | 57.8 | -91 | 0 | 0 | 0 | 110.3 | P102 F104 F522 W582 K699 C701 I703 | P102-F697 HydrophobicContact CB-CZ 4.37Å; P102-F697 HydrophobicContact CG-CE1 3.7Å; P102-F697 HydrophobicContact CG-CZ 3.73Å; F104-F697 HydrophobicContact CZ-CE2 4.29Å; F104-F697 HydrophobicContact CZ-CZ 4.09Å; F522-F697 HydrophobicContact CE1-CE2 4.19Å; W582-F697 HydrophobicContact CE3-CB 4.38Å; W582-F697 HydrophobicContact CZ3-CB 4.01Å; F697-K699 PolarHBondContact O-N 3.03Å; F697-K699 VanDerWaalsContact O-N 3.1Å; F697-C701 HydrophobicContact CD1-CB 4.4Å; F697-C701 HydrophobicContact CD2-CB 3.96Å; F697-C701 HydrophobicContact CE1-CB 3.97Å; F697-C701 HydrophobicContact CE2-CB 3.49Å; F697-C701 VanDerWaalsContact CE2-CB 3.49Å; F697-C701 HydrophobicContact CG-CB 4.41Å; F697-C701 HydrophobicContact CZ-CB 3.51Å; F697-C701 WeakPolarHBondContact CZ-SG 3.5Å; F697-C701 PolarHBondContact N-O 3.41Å; F697-C701 PolarHBondContact O-N 3.19Å; F697-I703 HydrophobicContact CD1-CB 4.25Å; F697-I703 HydrophobicContact CD1-CG2 4.15Å; F697-I703 HydrophobicContact CE1-CB 4.11Å; F697-I703 HydrophobicContact CE1-CD1 4.19Å |
| 698 | N | 98.1 | Very high | 98.6 | Very high | 12 Ų | 12 | 14.7 Ų | 14.7 | 6% | 0.064 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 37.2 | 175.4 | -53.8 | 116.5 | 0 | 0 | 0 | 114.4 | W231 F522 G523 D524 I525 S700 | W231-N698 WeakPolarHBondContact CH2-OD1 3.49Å; W231-N698 WeakPolarHBondContact CZ3-ND2 3.36Å; W231-N698 WeakPolarHBondContact CZ3-OD1 3.47Å; F522-N698 HydrophobicContact CB-CB 3.95Å; F522-N698 HydrophobicContact CD1-CB 4.28Å; F522-N698 HydrophobicContact CG-CB 4.4Å; G523-N698 PolarHBondContact N-O 3.2Å; G523-N698 CarbonylContact O-C 3.57Å; G523-N698 WeakPolarHBondContact O-CA 3.36Å; G523-N698 WeakPolarHBondContact O-CB 3.46Å; D524-N698 PolarHBondContact O-ND2 2.86Å; I525-N698 HydrophobicContact CG2-CB 3.95Å; N698-S700 PolarHBondContact O-N 2.87Å; N698-S700 PolarHBondContact O-OG 2.98Å |
| 699 | K | 98.3 | Very high | 98.6 | Very high | 13 Ų | 13 | 16.4 Ų | 16.4 | 6% | 0.057 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | -39.5 | 178.2 | -53.3 | -66.1 | -174.1 | -71.4 | 0 | 116.3 | Y287 D524 E579 C637 F697 | Y287-K699 HydrophobicContact CE1-CB 3.9Å; Y287-K699 HydrophobicContact CE1-CG 4.38Å; Y287-K699 WeakPolarHBondContact OH-CB 3.25Å; D524-K699 WeakPolarHBondContact OD2-CE 3.49Å; D524-K699 IonicContact OD2-NZ 2.73Å; D524-K699 PolarHBondContact OD2-NZ 3.13Å; E579-K699 VanDerWaalsContact OE1-CE 3.31Å; E579-K699 WeakPolarHBondContact OE1-CE 3.4Å; C637-K699 CarbonylContact C-O 3.56Å; C637-K699 WeakPolarHBondContact CB-O 3.49Å; F697-K699 PolarHBondContact O-N 3.03Å; F697-K699 VanDerWaalsContact O-N 3.1Å |
| 700 | S | 98.3 | Very high | 98.6 | Very high | 5 Ų | 5 | 14.4 Ų | 14.4 | 4% | 0.035 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -9.9 | -164.2 | 57.3 | 0 | 0 | 0 | 0 | 114.8 | L144 H145 V521 N698 | L144-S700 WeakPolarHBondContact CD2-O 3.28Å; H145-S700 PolarHBondContact CD2-O 2.88Å; H145-S700 PolarHBondContact NE2-O 3.29Å; V521-S700 VanDerWaalsContact O-CB 3.31Å; V521-S700 WeakPolarHBondContact O-CB 3.05Å; V521-S700 PolarHBondContact O-OG 2.9Å; N698-S700 PolarHBondContact O-N 2.87Å; N698-S700 PolarHBondContact O-OG 2.98Å |
| 701 | C | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122 | -178.2 | -163.6 | 0 | 0 | 0 | 0 | 112.7 | L144 F522 V696 F697 | L144-C701 HydrophobicContact CD2-CB 4.17Å; F522-C701 HydrophobicContact CD1-CB 4.44Å; F522-C701 HydrophobicContact CE1-CB 3.94Å; V696-C701 CarbonylContact C-O 3.59Å; V696-C701 WeakPolarHBondContact CA-O 3.07Å; F697-C701 HydrophobicContact CD1-CB 4.4Å; F697-C701 HydrophobicContact CD2-CB 3.96Å; F697-C701 HydrophobicContact CE1-CB 3.97Å; F697-C701 HydrophobicContact CE2-CB 3.49Å; F697-C701 VanDerWaalsContact CE2-CB 3.49Å; F697-C701 HydrophobicContact CG-CB 4.41Å; F697-C701 HydrophobicContact CZ-CB 3.51Å; F697-C701 WeakPolarHBondContact CZ-SG 3.5Å; F697-C701 PolarHBondContact N-O 3.41Å; F697-C701 PolarHBondContact O-N 3.19Å |
| 702 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 148.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P102 H145 F634 I693 G695 | P102-A702 WeakPolarHBondContact CD-O 3.4Å; H145-A702 HydrophobicContact CB-CB 4.13Å; H145-A702 VanDerWaalsContact ND1-CB 3.3Å; H145-A702 WeakPolarHBondContact ND1-CB 3.4Å; F634-A702 HydrophobicContact CD2-CB 3.65Å; F634-A702 VanDerWaalsContact CE2-CA 3.47Å; F634-A702 HydrophobicContact CE2-CB 3.4Å; F634-A702 HydrophobicContact CG-CB 4.37Å; F634-A702 HydrophobicContact CZ-CB 3.92Å; I693-A702 HydrophobicContact CB-CB 4.42Å; I693-A702 HydrophobicContact CD1-CB 3.54Å; I693-A702 HydrophobicContact CG1-CB 3.99Å; I693-A702 HydrophobicContact CG2-CB 3.67Å; G695-A702 WeakPolarHBondContact O-CA 3.33Å |
| 703 | I | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 8.7 Ų | 8.7 | 2% | 0.021 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 142.8 | 174.2 | -165.7 | 159.1 | 0 | 0 | 0 | 111.1 | Y99 P102 I693 G695 F697 Y705 | Y99-I703 HydrophobicContact CD1-CD1 3.87Å; Y99-I703 HydrophobicContact CD2-CD1 4.4Å; Y99-I703 HydrophobicContact CD2-CG1 4.28Å; Y99-I703 HydrophobicContact CE1-CD1 3.39Å; Y99-I703 HydrophobicContact CE1-CG1 4.26Å; Y99-I703 HydrophobicContact CE2-CD1 3.95Å; Y99-I703 HydrophobicContact CE2-CG1 3.98Å; Y99-I703 HydrophobicContact CG-CD1 4.34Å; Y99-I703 VanDerWaalsContact CZ-CD1 3.42Å; P102-I703 HydrophobicContact CG-CD1 4.46Å; I693-I703 VanDerWaalsContact CG1-O 3.27Å; I693-I703 WeakPolarHBondContact CG1-O 3.43Å; G695-I703 CarbonylContact C-O 3.58Å; G695-I703 WeakPolarHBondContact CA-O 3.35Å; G695-I703 PolarHBondContact N-O 3.5Å; G695-I703 PolarHBondContact O-N 3.39Å; F697-I703 HydrophobicContact CD1-CB 4.25Å; F697-I703 HydrophobicContact CD1-CG2 4.15Å; F697-I703 HydrophobicContact CE1-CB 4.11Å; F697-I703 HydrophobicContact CE1-CD1 4.19Å; I703-Y705 HydrophobicContact CG2-CE2 4.2Å |
| 704 | S | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 8.4 Ų | 8.4 | 5% | 0.049 | 4% | 0.041 | C | C | . | . | trans | -79.3 | 126.6 | -177.2 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | Y99 G100 | Y99-S704 WeakPolarHBondContact CD2-O 3.32Å; G100-S704 WeakPolarHBondContact O-CB 3.04Å; G100-S704 PolarHBondContact O-N 2.94Å; G100-S704 PolarHBondContact O-OG 3.03Å | ||
| 705 | Y | 98.8 | Very high | 98.7 | Very high | 16 Ų | 16 | 8.4 Ų | 8.4 | 6% | 0.063 | 4% | 0.04 | C | C | . | . | trans | -105.3 | 87.8 | 160.7 | -75.9 | -82.8 | 0 | 0 | 0 | 109.8 | Y99 W388 F445 I703 S707 Y708 | Y99-Y705 HydrophobicContact CE2-CD1 4Å; Y99-Y705 AromaticContact CE2-CE1 3.72Å; Y99-Y705 HydrophobicContact CE2-CE1 3.72Å; Y99-Y705 HydrophobicContact CE2-CE2 4.48Å; Y99-Y705 HydrophobicContact CE2-CG 4.5Å; Y99-Y705 AromaticContact CE2-CZ 3.97Å; Y99-Y705 PolarHBondContact OH-OH 3.31Å; W388-Y705 AromaticContact CD1-CD1 3.91Å; W388-Y705 AromaticContact CD1-CE1 3.52Å; W388-Y705 HydrophobicContact CG-CE1 4.44Å; W388-Y705 AromaticContact NE1-CD1 3.85Å; W388-Y705 AromaticContact NE1-CE1 3.39Å; F445-Y705 AromaticContact CE2-CE1 3.98Å; F445-Y705 HydrophobicContact CE2-CE1 3.98Å; F445-Y705 AromaticContact CZ-CE1 3.75Å; F445-Y705 HydrophobicContact CZ-CE1 3.75Å; I703-Y705 HydrophobicContact CG2-CE2 4.2Å; Y705-S707 PolarHBondContact O-N 3.28Å; Y705-Y708 VanDerWaalsContact CB-CD2 3.43Å; Y705-Y708 VanDerWaalsContact CB-CG 3.44Å; Y705-Y708 HydrophobicContact CD1-CD1 4.28Å; Y705-Y708 AromaticContact CD1-CE1 3.59Å; Y705-Y708 HydrophobicContact CD1-CE1 3.59Å; Y705-Y708 HydrophobicContact CD1-CE2 4.13Å; Y705-Y708 AromaticContact CD1-CZ 3.49Å; Y705-Y708 VanDerWaalsContact CD1-CZ 3.49Å; Y705-Y708 HydrophobicContact CD2-CD2 4.25Å; Y705-Y708 AromaticContact CD2-CE2 3.59Å; Y705-Y708 HydrophobicContact CD2-CE2 3.59Å; Y705-Y708 AromaticContact CD2-CZ 3.77Å; Y705-Y708 HydrophobicContact CE1-CE1 4.33Å; Y705-Y708 AromaticContact CE1-CZ 3.99Å; Y705-Y708 HydrophobicContact CE2-CE2 4.29Å; Y705-Y708 HydrophobicContact CG-CD1 4.13Å; Y705-Y708 AromaticContact CG-CD2 3.96Å; Y705-Y708 HydrophobicContact CG-CD2 3.96Å; Y705-Y708 AromaticContact CG-CE1 3.72Å; Y705-Y708 HydrophobicContact CG-CE1 3.72Å; Y705-Y708 AromaticContact CG-CE2 3.5Å; Y705-Y708 HydrophobicContact CG-CE2 3.5Å; Y705-Y708 HydrophobicContact CG-CG 4.25Å; Y705-Y708 AromaticContact CG-CZ 3.37Å; Y705-Y708 WeakPolarHBondContact O-CB 3.31Å; Y705-Y708 PolarHBondContact O-N 3.39Å; Y705-Y708 VanDerWaalsContact O-N 3.16Å | ||
| 706 | T | 98.4 | Very high | 98.7 | Very high | 26 Ų | 26 | 8.4 Ų | 8.4 | 16% | 0.16 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -41.2 | -174.8 | -70.4 | 0 | 0 | 0 | 0 | 113 | D98 Y708 R709 | D98-T706 WeakPolarHBondContact CB-OG1 3.34Å; D98-T706 PolarHBondContact N-OG1 3.4Å; D98-T706 PolarHBondContact O-OG1 3.14Å; T706-Y708 VanDerWaalsContact C-N 3.28Å; T706-Y708 PolarHBondContact O-N 3.1Å; T706-R709 PolarHBondContact O-NH1 2.68Å |
| 707 | S | 98.7 | Very high | 98.7 | Very high | 2 Ų | 2 | 8.2 Ų | 8.2 | 1% | 0.014 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -20.5 | -174.6 | -64 | 0 | 0 | 0 | 0 | 113.7 | Y85 D389 Y705 R709 N710 V711 | Y85-S707 WeakPolarHBondContact OH-CB 3.15Å; Y85-S707 PolarHBondContact OH-OG 3.09Å; D389-S707 PolarHBondContact OD2-OG 3.41Å; Y705-S707 PolarHBondContact O-N 3.28Å; S707-R709 VanDerWaalsContact C-N 3.32Å; S707-R709 PolarHBondContact O-N 3.13Å; S707-N710 PolarHBondContact O-N 2.78Å; S707-V711 WeakPolarHBondContact O-CB 3.31Å; S707-V711 WeakPolarHBondContact O-CG2 3.46Å; S707-V711 PolarHBondContact O-N 2.89Å |
| 708 | Y | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 6.5 Ų | 6.5 | 1% | 0.012 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -61.8 | -36.1 | -171.3 | -79 | 11.6 | 0 | 0 | 0 | 113.5 | W388 F392 W655 Y705 T706 N710 F712 P713 | W388-Y708 AromaticContact NE1-CE1 3.62Å; W388-Y708 AromaticContact NE1-CZ 3.66Å; W388-Y708 PolarHBondContact NE1-OH 3.15Å; F392-Y708 HydrophobicContact CD2-CE1 4.34Å; W655-Y708 HydrophobicContact CH2-CD2 4.33Å; W655-Y708 HydrophobicContact CH2-CE2 4.36Å; W655-Y708 AromaticContact CZ2-CD2 3.7Å; W655-Y708 HydrophobicContact CZ2-CD2 3.7Å; W655-Y708 AromaticContact CZ2-CE2 3.75Å; W655-Y708 HydrophobicContact CZ2-CE2 3.75Å; Y705-Y708 VanDerWaalsContact CB-CD2 3.43Å; Y705-Y708 VanDerWaalsContact CB-CG 3.44Å; Y705-Y708 HydrophobicContact CD1-CD1 4.28Å; Y705-Y708 AromaticContact CD1-CE1 3.59Å; Y705-Y708 HydrophobicContact CD1-CE1 3.59Å; Y705-Y708 HydrophobicContact CD1-CE2 4.13Å; Y705-Y708 AromaticContact CD1-CZ 3.49Å; Y705-Y708 VanDerWaalsContact CD1-CZ 3.49Å; Y705-Y708 HydrophobicContact CD2-CD2 4.25Å; Y705-Y708 AromaticContact CD2-CE2 3.59Å; Y705-Y708 HydrophobicContact CD2-CE2 3.59Å; Y705-Y708 AromaticContact CD2-CZ 3.77Å; Y705-Y708 HydrophobicContact CE1-CE1 4.33Å; Y705-Y708 AromaticContact CE1-CZ 3.99Å; Y705-Y708 HydrophobicContact CE2-CE2 4.29Å; Y705-Y708 HydrophobicContact CG-CD1 4.13Å; Y705-Y708 AromaticContact CG-CD2 3.96Å; Y705-Y708 HydrophobicContact CG-CD2 3.96Å; Y705-Y708 AromaticContact CG-CE1 3.72Å; Y705-Y708 HydrophobicContact CG-CE1 3.72Å; Y705-Y708 AromaticContact CG-CE2 3.5Å; Y705-Y708 HydrophobicContact CG-CE2 3.5Å; Y705-Y708 HydrophobicContact CG-CG 4.25Å; Y705-Y708 AromaticContact CG-CZ 3.37Å; Y705-Y708 WeakPolarHBondContact O-CB 3.31Å; Y705-Y708 PolarHBondContact O-N 3.39Å; Y705-Y708 VanDerWaalsContact O-N 3.16Å; T706-Y708 VanDerWaalsContact C-N 3.28Å; T706-Y708 PolarHBondContact O-N 3.1Å; Y708-N710 PolarHBondContact O-N 3.36Å; Y708-F712 AromaticContact CD1-CD2 3.97Å; Y708-F712 HydrophobicContact CD1-CD2 3.97Å; Y708-F712 AromaticContact CD1-CE2 3.47Å; Y708-F712 HydrophobicContact CD1-CE2 3.47Å; Y708-F712 VanDerWaalsContact CD1-CE2 3.47Å; Y708-F712 HydrophobicContact CD2-CD2 4.11Å; Y708-F712 AromaticContact CD2-CE2 3.64Å; Y708-F712 HydrophobicContact CD2-CE2 3.64Å; Y708-F712 AromaticContact CE1-CE2 3.71Å; Y708-F712 HydrophobicContact CE1-CE2 3.71Å; Y708-F712 HydrophobicContact CE1-CZ 4.42Å; Y708-F712 AromaticContact CE2-CE2 3.88Å; Y708-F712 HydrophobicContact CE2-CE2 3.88Å; Y708-F712 AromaticContact CG-CD2 3.68Å; Y708-F712 HydrophobicContact CG-CD2 3.68Å; Y708-F712 AromaticContact CG-CE2 3.43Å; Y708-F712 HydrophobicContact CG-CE2 3.43Å; Y708-F712 VanDerWaalsContact CG-CE2 3.43Å; Y708-F712 AromaticContact CZ-CE2 3.91Å; Y708-F712 WeakPolarHBondContact O-CB 3.45Å; Y708-F712 PolarHBondContact O-N 2.9Å; Y708-F712 VanDerWaalsContact O-N 3.13Å; Y708-P713 WeakPolarHBondContact O-CD 3.47Å |
| 709 | R | 98.8 | Very high | 98.8 | Very high | 37 Ų | 37 | 6.9 Ų | 6.9 | 14% | 0.14 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -68.1 | -14.6 | 177.9 | 73.5 | -177.6 | -174.1 | -90.6 | -9.1 | 113.7 | H55 D687 W688 T706 S707 P713 | H55-R709 PolarHBondContact CE1-NH2 2.8Å; D687-R709 IonicContact OD1-NE 2.84Å; W688-R709 HydrophobicContact CB-CB 4.45Å; W688-R709 VanDerWaalsContact CB-O 3.28Å; W688-R709 WeakPolarHBondContact CB-O 3.37Å; W688-R709 VanDerWaalsContact O-CD 3.29Å; W688-R709 WeakPolarHBondContact O-CD 3.32Å; W688-R709 PolarHBondContact O-NE 3.25Å; T706-R709 PolarHBondContact O-NH1 2.68Å; S707-R709 VanDerWaalsContact C-N 3.32Å; S707-R709 PolarHBondContact O-N 3.13Å; R709-P713 WeakPolarHBondContact O-CD 3.41Å; R709-P713 VanDerWaalsContact O-CG 3.22Å; R709-P713 WeakPolarHBondContact O-CG 3.37Å |
| 710 | N | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 6.2 Ų | 6.2 | 1% | 0.011 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -104 | -51.1 | 175.5 | -79.7 | -83.5 | 0 | 0 | 0 | 111.2 | Y85 D687 S707 Y708 F712 P713 I714 | Y85-N710 HydrophobicContact CD1-CB 4.44Å; Y85-N710 HydrophobicContact CD2-CB 3.37Å; Y85-N710 HydrophobicContact CE2-CB 3.64Å; Y85-N710 HydrophobicContact CG-CB 3.83Å; D687-N710 PolarHBondContact OD1-ND2 2.86Å; D687-N710 PolarHBondContact OD1-OD1 3Å; D687-N710 VanDerWaalsContact OD1-OD1 3.09Å; S707-N710 PolarHBondContact O-N 2.78Å; Y708-N710 PolarHBondContact O-N 3.36Å; N710-F712 PolarHBondContact O-N 2.74Å; N710-P713 WeakPolarHBondContact O-CD 2.97Å; N710-I714 WeakPolarHBondContact O-CD1 3.46Å; N710-I714 WeakPolarHBondContact O-CG1 3.42Å; N710-I714 PolarHBondContact O-N 3.39Å |
| 711 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.006 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -61.4 | -47.7 | -175.3 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | Y85 F392 A393 A396 S707 I714 W715 | Y85-V711 HydrophobicContact CE1-CG2 3.66Å; F392-V711 HydrophobicContact CB-CG1 3.69Å; A393-V711 HydrophobicContact CB-CG2 4.14Å; A396-V711 HydrophobicContact CB-CG1 3.93Å; A396-V711 WeakPolarHBondContact CB-O 3.49Å; S707-V711 WeakPolarHBondContact O-CB 3.31Å; S707-V711 WeakPolarHBondContact O-CG2 3.46Å; S707-V711 PolarHBondContact O-N 2.89Å; V711-I714 PolarHBondContact O-N 3.44Å; V711-W715 HydrophobicContact CG1-CE3 4.37Å; V711-W715 WeakPolarHBondContact O-CB 3.3Å; V711-W715 PolarHBondContact O-N 2.93Å |
| 712 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -72.6 | -38.6 | -174.8 | -76.4 | -65.1 | 0 | 0 | 0 | 114.2 | F392 W591 C654 W655 L658 Y708 N710 W715 T716 | F392-F712 HydrophobicContact CD2-CZ 4.35Å; F392-F712 HydrophobicContact CE2-CZ 4.27Å; W591-F712 AromaticContact CH2-CE1 3.46Å; W591-F712 HydrophobicContact CH2-CE1 3.46Å; W591-F712 VanDerWaalsContact CH2-CE1 3.46Å; W591-F712 AromaticContact CH2-CZ 3.93Å; W591-F712 HydrophobicContact CH2-CZ 3.93Å; W591-F712 HydrophobicContact CZ2-CE1 4.18Å; W591-F712 AromaticContact CZ3-CE1 3.63Å; W591-F712 HydrophobicContact CZ3-CE1 3.63Å; W591-F712 AromaticContact CZ3-CZ 3.81Å; W591-F712 HydrophobicContact CZ3-CZ 3.81Å; C654-F712 HydrophobicContact CB-CB 3.6Å; C654-F712 HydrophobicContact CB-CG 4.42Å; W655-F712 AromaticContact CD1-CD1 3.82Å; W655-F712 AromaticContact CD1-CE1 3.71Å; W655-F712 AromaticContact CE2-CE2 3.98Å; W655-F712 HydrophobicContact CZ2-CD2 4.48Å; W655-F712 HydrophobicContact CZ2-CE2 4.05Å; W655-F712 AromaticContact NE1-CD1 3.57Å; W655-F712 AromaticContact NE1-CD2 3.57Å; W655-F712 AromaticContact NE1-CE1 3.31Å; W655-F712 VanDerWaalsContact NE1-CE1 3.31Å; W655-F712 AromaticContact NE1-CE2 3.28Å; W655-F712 VanDerWaalsContact NE1-CE2 3.28Å; W655-F712 AromaticContact NE1-CG 3.71Å; W655-F712 AromaticContact NE1-CZ 3.17Å; L658-F712 HydrophobicContact CD1-CD1 3.8Å; L658-F712 HydrophobicContact CD1-CE1 4.25Å; Y708-F712 AromaticContact CD1-CD2 3.97Å; Y708-F712 HydrophobicContact CD1-CD2 3.97Å; Y708-F712 AromaticContact CD1-CE2 3.47Å; Y708-F712 HydrophobicContact CD1-CE2 3.47Å; Y708-F712 VanDerWaalsContact CD1-CE2 3.47Å; Y708-F712 HydrophobicContact CD2-CD2 4.11Å; Y708-F712 AromaticContact CD2-CE2 3.64Å; Y708-F712 HydrophobicContact CD2-CE2 3.64Å; Y708-F712 AromaticContact CE1-CE2 3.71Å; Y708-F712 HydrophobicContact CE1-CE2 3.71Å; Y708-F712 HydrophobicContact CE1-CZ 4.42Å; Y708-F712 AromaticContact CE2-CE2 3.88Å; Y708-F712 HydrophobicContact CE2-CE2 3.88Å; Y708-F712 AromaticContact CG-CD2 3.68Å; Y708-F712 HydrophobicContact CG-CD2 3.68Å; Y708-F712 AromaticContact CG-CE2 3.43Å; Y708-F712 HydrophobicContact CG-CE2 3.43Å; Y708-F712 VanDerWaalsContact CG-CE2 3.43Å; Y708-F712 AromaticContact CZ-CE2 3.91Å; Y708-F712 WeakPolarHBondContact O-CB 3.45Å; Y708-F712 PolarHBondContact O-N 2.9Å; Y708-F712 VanDerWaalsContact O-N 3.13Å; N710-F712 PolarHBondContact O-N 2.74Å; F712-W715 HydrophobicContact CD1-CE3 4.32Å; F712-W715 HydrophobicContact CE1-CE3 4.2Å; F712-W715 HydrophobicContact CE1-CZ3 4.37Å; F712-W715 PolarHBondContact O-N 2.99Å; F712-T716 VanDerWaalsContact O-CB 3.28Å; F712-T716 WeakPolarHBondContact O-CB 3.39Å; F712-T716 PolarHBondContact O-N 2.85Å; F712-T716 PolarHBondContact O-OG1 3.18Å |
| 713 | P | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 170.1 | -32.5 | 41.4 | 0 | 0 | 0 | 113 | I650 W688 Y708 R709 N710 W715 T716 L717 | I650-P713 HydrophobicContact CG2-CG 3.36Å; W688-P713 HydrophobicContact CD2-CB 3.9Å; W688-P713 HydrophobicContact CD2-CG 4.07Å; W688-P713 HydrophobicContact CE3-CB 4.14Å; W688-P713 HydrophobicContact CE3-CG 4.46Å; W688-P713 HydrophobicContact CG-CG 4.3Å; W688-P713 HydrophobicContact CH2-CB 3.89Å; W688-P713 HydrophobicContact CZ2-CB 3.65Å; W688-P713 HydrophobicContact CZ3-CB 4.13Å; Y708-P713 WeakPolarHBondContact O-CD 3.47Å; R709-P713 WeakPolarHBondContact O-CD 3.41Å; R709-P713 VanDerWaalsContact O-CG 3.22Å; R709-P713 WeakPolarHBondContact O-CG 3.37Å; N710-P713 WeakPolarHBondContact O-CD 2.97Å; P713-W715 VanDerWaalsContact C-N 3.3Å; P713-W715 PolarHBondContact O-N 3.39Å; P713-T716 PolarHBondContact O-N 3.31Å; P713-L717 VanDerWaalsContact O-CB 3.27Å; P713-L717 WeakPolarHBondContact O-CB 3.47Å; P713-L717 WeakPolarHBondContact O-CD1 3.48Å; P713-L717 WeakPolarHBondContact O-CG 2.98Å; P713-L717 PolarHBondContact O-N 2.98Å |
| 714 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -56.5 | -48 | 177.1 | -67.8 | 165.9 | 0 | 0 | 0 | 110.1 | G81 M82 A396 F397 A400 W688 N710 V711 G718 | G81-I714 VanDerWaalsContact C-CD1 3.48Å; M82-I714 HydrophobicContact CG-CD1 4.29Å; M82-I714 HydrophobicContact CG-CG1 4.46Å; M82-I714 HydrophobicContact CG-CG2 3.6Å; M82-I714 HydrophobicContact SD-CG2 4.33Å; A396-I714 HydrophobicContact CB-CB 4.42Å; A396-I714 HydrophobicContact CB-CG2 4.16Å; F397-I714 HydrophobicContact CD1-CG2 4.23Å; F397-I714 HydrophobicContact CE1-CD1 3.91Å; A400-I714 HydrophobicContact CB-CG2 3.78Å; W688-I714 HydrophobicContact CZ3-CG1 4.28Å; N710-I714 WeakPolarHBondContact O-CD1 3.46Å; N710-I714 WeakPolarHBondContact O-CG1 3.42Å; N710-I714 PolarHBondContact O-N 3.39Å; V711-I714 PolarHBondContact O-N 3.44Å; I714-G718 PolarHBondContact O-N 2.82Å |
| 715 | W | 98.9 | Very high | 98.3 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 2% | 0.019 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.5 | -50.4 | 179.3 | -158 | -23.2 | 0 | 0 | 0 | 111.9 | F392 Q395 A396 E399 L658 V711 F712 P713 G718 R719 | F392-W715 HydrophobicContact CB-CZ3 3.99Å; F392-W715 AromaticContact CD1-CH2 3.83Å; F392-W715 HydrophobicContact CD1-CH2 3.83Å; F392-W715 AromaticContact CD1-CZ3 3.53Å; F392-W715 HydrophobicContact CD1-CZ3 3.53Å; F392-W715 HydrophobicContact CE1-CH2 4.21Å; F392-W715 HydrophobicContact CE1-CZ3 4.14Å; F392-W715 AromaticContact CG-CZ3 3.92Å; F392-W715 HydrophobicContact CG-CZ3 3.92Å; Q395-W715 HydrophobicContact CB-CH2 3.69Å; Q395-W715 HydrophobicContact CB-CZ2 3.7Å; Q395-W715 HydrophobicContact CB-CZ3 4.2Å; Q395-W715 HydrophobicContact CG-CH2 4.41Å; A396-W715 HydrophobicContact CB-CB 3.65Å; A396-W715 HydrophobicContact CB-CD2 4.21Å; A396-W715 HydrophobicContact CB-CE3 4.2Å; A396-W715 HydrophobicContact CB-CG 4.03Å; E399-W715 VanDerWaalsContact CD-CD1 3.42Å; E399-W715 PolarHBondContact OE1-NE1 3.11Å; L658-W715 HydrophobicContact CD2-CG 4.14Å; V711-W715 HydrophobicContact CG1-CE3 4.37Å; V711-W715 WeakPolarHBondContact O-CB 3.3Å; V711-W715 PolarHBondContact O-N 2.93Å; F712-W715 HydrophobicContact CD1-CE3 4.32Å; F712-W715 HydrophobicContact CE1-CE3 4.2Å; F712-W715 HydrophobicContact CE1-CZ3 4.37Å; F712-W715 PolarHBondContact O-N 2.99Å; P713-W715 VanDerWaalsContact C-N 3.3Å; P713-W715 PolarHBondContact O-N 3.39Å; W715-G718 PolarHBondContact O-N 3.45Å; W715-R719 WeakPolarHBondContact O-CB 3.34Å; W715-R719 PolarHBondContact O-N 3.42Å |
| 716 | T | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.9 | -46.6 | -175.6 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | C654 L657 L658 M661 L678 F712 P713 R719 F720 | C654-T716 VanDerWaalsContact CB-OG1 3.25Å; C654-T716 WeakPolarHBondContact CB-OG1 3.43Å; L657-T716 HydrophobicContact CB-CG2 3.57Å; L657-T716 HydrophobicContact CD1-CG2 3.71Å; L657-T716 HydrophobicContact CG-CG2 4.31Å; L658-T716 WeakPolarHBondContact CG-OG1 3.33Å; M661-T716 HydrophobicContact CE-CG2 3.78Å; L678-T716 HydrophobicContact CD1-CG2 3.88Å; F712-T716 VanDerWaalsContact O-CB 3.28Å; F712-T716 WeakPolarHBondContact O-CB 3.39Å; F712-T716 PolarHBondContact O-N 2.85Å; F712-T716 PolarHBondContact O-OG1 3.18Å; P713-T716 PolarHBondContact O-N 3.31Å; T716-R719 PolarHBondContact O-N 2.89Å; T716-F720 WeakPolarHBondContact O-CB 3.18Å; T716-F720 PolarHBondContact O-N 3.34Å |
| 717 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66 | -42.1 | 178.9 | -64.5 | 171 | 0 | 0 | 0 | 111 | A74 A77 A78 V675 L678 V679 W688 P713 F720 C721 | A74-L717 HydrophobicContact CB-CB 4.3Å; A74-L717 HydrophobicContact CB-CD2 3.8Å; A77-L717 HydrophobicContact CB-CD1 3.7Å; A78-L717 HydrophobicContact CB-CB 3.94Å; V675-L717 HydrophobicContact CG1-CD2 3.66Å; L678-L717 HydrophobicContact CB-CD2 4.25Å; V679-L717 HydrophobicContact CG2-CD2 4Å; W688-L717 HydrophobicContact CH2-CD1 4.29Å; W688-L717 HydrophobicContact CZ2-CD1 3.91Å; P713-L717 VanDerWaalsContact O-CB 3.27Å; P713-L717 WeakPolarHBondContact O-CB 3.47Å; P713-L717 WeakPolarHBondContact O-CD1 3.48Å; P713-L717 WeakPolarHBondContact O-CG 2.98Å; P713-L717 PolarHBondContact O-N 2.98Å; L717-F720 PolarHBondContact O-N 3.24Å; L717-C721 PolarHBondContact O-N 2.64Å; L717-C721 PolarHBondContact O-SG 2.68Å |
| 718 | G | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 28 Ų | 28 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.3 | -48.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E399 I714 W715 F720 C721 R722 | E399-G718 CarbonylContact O-C 3.47Å; I714-G718 PolarHBondContact O-N 2.82Å; W715-G718 PolarHBondContact O-N 3.45Å; G718-F720 PolarHBondContact O-N 3.23Å; G718-C721 PolarHBondContact O-N 3.15Å; G718-R722 PolarHBondContact O-N 3.15Å |
| 719 | R | 98.8 | Very high | 97.2 | Very high | 20 Ų | 20 | 28.7 Ų | 28.7 | 8% | 0.075 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59 | -46 | 175.9 | -170.2 | 172 | -72.3 | -174.1 | -4.2 | 111.9 | E399 E595 L658 M661 W715 T716 C721 R722 L723 | E399-R719 IonicContact OE1-CZ 3.61Å; E399-R719 IonicContact OE1-NE 3.99Å; E399-R719 PolarHBondContact OE1-NE 2.6Å; E399-R719 IonicContact OE1-NH2 3.54Å; E399-R719 PolarHBondContact OE1-NH2 3.26Å; E399-R719 WeakPolarHBondContact OE2-CB 3.41Å; E399-R719 WeakPolarHBondContact OE2-CG 3.38Å; E399-R719 IonicContact OE2-CZ 2.94Å; E399-R719 IonicContact OE2-NE 3.5Å; E399-R719 PolarHBondContact OE2-NE 2.99Å; E399-R719 IonicContact OE2-NH2 2.72Å; E595-R719 IonicContact OE1-CZ 3.51Å; E595-R719 IonicContact OE1-NH1 3.78Å; E595-R719 PolarHBondContact OE1-NH1 3.49Å; E595-R719 IonicContact OE1-NH2 3.07Å; E595-R719 PolarHBondContact OE1-NH2 2.84Å; E595-R719 VanDerWaalsContact OE1-NH2 3.15Å; L658-R719 HydrophobicContact CD2-CB 4.45Å; L658-R719 PolarHBondContact O-NH1 2.97Å; L658-R719 VanDerWaalsContact O-NH1 3.08Å; M661-R719 HydrophobicContact CB-CG 4.35Å; M661-R719 HydrophobicContact CE-CB 4.02Å; M661-R719 HydrophobicContact CE-CG 4.11Å; M661-R719 HydrophobicContact SD-CB 4.43Å; M661-R719 HydrophobicContact SD-CG 4.17Å; W715-R719 WeakPolarHBondContact O-CB 3.34Å; W715-R719 PolarHBondContact O-N 3.42Å; T716-R719 PolarHBondContact O-N 2.89Å; R719-C721 PolarHBondContact O-N 2.83Å; R719-R722 PolarHBondContact O-N 2.65Å; R719-L723 HydrophobicContact CG-CD1 3.79Å; R719-L723 HydrophobicContact CG-CG 4.42Å; R719-L723 WeakPolarHBondContact O-CG 3.41Å; R719-L723 PolarHBondContact O-N 2.88Å; R719-L723 VanDerWaalsContact O-N 3.13Å |
| 720 | F | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.9 | -48.7 | 178.7 | 176.5 | -99.9 | 0 | 0 | 0 | 111.6 | A74 M661 I671 E672 V675 T716 L717 G718 R722 L723 Y724 L729 A730 | A74-F720 HydrophobicContact CB-CD1 3.79Å; A74-F720 HydrophobicContact CB-CE1 4.33Å; M661-F720 HydrophobicContact CE-CB 4.36Å; M661-F720 VanDerWaalsContact SD-CA 3.6Å; M661-F720 HydrophobicContact SD-CB 3.84Å; M661-F720 HydrophobicContact SD-CD2 4.21Å; I671-F720 HydrophobicContact CG2-CD2 3.67Å; I671-F720 HydrophobicContact CG2-CE2 3.88Å; E672-F720 HydrophobicContact CG-CE2 3.94Å; E672-F720 HydrophobicContact CG-CZ 3.74Å; V675-F720 HydrophobicContact CG1-CD1 3.8Å; V675-F720 HydrophobicContact CG1-CE1 4.01Å; V675-F720 HydrophobicContact CG1-CG 4.17Å; V675-F720 HydrophobicContact CG2-CB 4.06Å; V675-F720 HydrophobicContact CG2-CD1 4.19Å; V675-F720 HydrophobicContact CG2-CD2 3.69Å; V675-F720 HydrophobicContact CG2-CE2 4.17Å; V675-F720 HydrophobicContact CG2-CG 3.7Å; T716-F720 WeakPolarHBondContact O-CB 3.18Å; T716-F720 PolarHBondContact O-N 3.34Å; L717-F720 PolarHBondContact O-N 3.24Å; G718-F720 PolarHBondContact O-N 3.23Å; F720-R722 VanDerWaalsContact C-N 3.26Å; F720-R722 PolarHBondContact O-N 3.1Å; F720-L723 PolarHBondContact O-N 3.44Å; F720-L723 VanDerWaalsContact O-N 3.15Å; F720-Y724 AromaticContact CD2-CD2 3.43Å; F720-Y724 HydrophobicContact CD2-CD2 3.43Å; F720-Y724 VanDerWaalsContact CD2-CD2 3.43Å; F720-Y724 HydrophobicContact CD2-CE2 4.05Å; F720-Y724 HydrophobicContact CD2-CG 4.23Å; F720-Y724 AromaticContact CE2-CD2 3.6Å; F720-Y724 HydrophobicContact CE2-CD2 3.6Å; F720-Y724 HydrophobicContact CE2-CE2 4.34Å; F720-Y724 AromaticContact CE2-CG 3.96Å; F720-Y724 HydrophobicContact CE2-CG 3.96Å; F720-Y724 HydrophobicContact CG-CD2 4.27Å; F720-Y724 PolarHBondContact O-N 3.17Å; F720-L729 HydrophobicContact CE1-CB 4.2Å; F720-L729 HydrophobicContact CE1-CG 4.37Å; F720-L729 HydrophobicContact CZ-CB 4.4Å; F720-A730 HydrophobicContact CD1-CB 4.46Å; F720-A730 HydrophobicContact CE1-CB 4.05Å |
| 721 | C | 98.1 | Very high | 95.9 | Very high | 22 Ų | 22 | 27.5 Ų | 27.5 | 15% | 0.149 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.5 | -38 | 178.4 | -70.4 | 0 | 0 | 0 | 0 | 113 | A74 L75 L717 G718 R719 | A74-C721 VanDerWaalsContact CB-SG 3.54Å; L75-C721 PolarHBondContact N-SG 3.15Å; L717-C721 PolarHBondContact O-N 2.64Å; L717-C721 PolarHBondContact O-SG 2.68Å; G718-C721 PolarHBondContact O-N 3.15Å; R719-C721 PolarHBondContact O-N 2.83Å |
| 722 | R | 96.5 | Very high | 94 | Very high | 117 Ų | 117 | 37.3 Ų | 37.3 | 44% | 0.442 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -69.8 | -37.7 | 177.9 | -72.2 | -179.3 | 174.9 | -175.3 | 2.2 | 113.4 | L398 E399 G718 R719 F720 | L398-R722 VanDerWaalsContact O-CZ 3.22Å; L398-R722 PolarHBondContact O-NH1 3.38Å; L398-R722 PolarHBondContact O-NH2 3.36Å; E399-R722 WeakPolarHBondContact O-CD 3.4Å; E399-R722 PolarHBondContact O-NE 2.99Å; E399-R722 PolarHBondContact O-NH2 3.31Å; G718-R722 PolarHBondContact O-N 3.15Å; R719-R722 PolarHBondContact O-N 2.65Å; F720-R722 VanDerWaalsContact C-N 3.26Å; F720-R722 PolarHBondContact O-N 3.1Å |
| 723 | L | 97.2 | Very high | 91.5 | Very high | 49 Ų | 49 | 42.8 Ų | 42.8 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -86.7 | -30 | -173.7 | -64.3 | 175.7 | 0 | 0 | 0 | 113.2 | M661 R719 F720 P725 | M661-L723 HydrophobicContact CB-CD1 3.78Å; M661-L723 HydrophobicContact CG-CD1 4.2Å; M661-L723 HydrophobicContact SD-CD1 4.2Å; R719-L723 HydrophobicContact CG-CD1 3.79Å; R719-L723 HydrophobicContact CG-CG 4.42Å; R719-L723 WeakPolarHBondContact O-CG 3.41Å; R719-L723 PolarHBondContact O-N 2.88Å; R719-L723 VanDerWaalsContact O-N 3.13Å; F720-L723 PolarHBondContact O-N 3.44Å; F720-L723 VanDerWaalsContact O-N 3.15Å; L723-P725 WeakPolarHBondContact O-CD 3.32Å |
| 724 | Y | 96.4 | Very high | 88.6 | Confident | 29 Ų | 29 | 52.9 Ų | 52.9 | 11% | 0.114 | 27% | 0.274 | C | S | . | . | trans | -126.5 | 54.2 | -174.9 | -52.5 | -82.8 | 0 | 0 | 0 | 112 | M661 Q668 I671 F720 S726 S727 A730 | M661-Y724 HydrophobicContact CG-CE2 4.1Å; M661-Y724 HydrophobicContact SD-CE2 4.09Å; Q668-Y724 HydrophobicContact CB-CE1 4.37Å; Q668-Y724 HydrophobicContact CG-CD1 3.96Å; Q668-Y724 HydrophobicContact CG-CE1 4.11Å; I671-Y724 HydrophobicContact CD1-CE2 4.38Å; I671-Y724 VanDerWaalsContact CD1-OH 3.3Å; I671-Y724 WeakPolarHBondContact CD1-OH 3.44Å; I671-Y724 HydrophobicContact CG2-CE2 4.35Å; F720-Y724 AromaticContact CD2-CD2 3.43Å; F720-Y724 HydrophobicContact CD2-CD2 3.43Å; F720-Y724 VanDerWaalsContact CD2-CD2 3.43Å; F720-Y724 HydrophobicContact CD2-CE2 4.05Å; F720-Y724 HydrophobicContact CD2-CG 4.23Å; F720-Y724 AromaticContact CE2-CD2 3.6Å; F720-Y724 HydrophobicContact CE2-CD2 3.6Å; F720-Y724 HydrophobicContact CE2-CE2 4.34Å; F720-Y724 AromaticContact CE2-CG 3.96Å; F720-Y724 HydrophobicContact CE2-CG 3.96Å; F720-Y724 HydrophobicContact CG-CD2 4.27Å; F720-Y724 PolarHBondContact O-N 3.17Å; Y724-S726 PolarHBondContact O-N 3.28Å; Y724-S727 VanDerWaalsContact O-CB 3.32Å; Y724-S727 WeakPolarHBondContact O-CB 3.37Å; Y724-S727 PolarHBondContact O-N 3.27Å; Y724-A730 VanDerWaalsContact O-CB 3.32Å; Y724-A730 WeakPolarHBondContact O-CB 3.44Å | ||
| 725 | P | 94.2 | Very high | 85.3 | Confident | 72 Ų | 72 | 64.2 Ų | 64.2 | 47% | 0.468 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.8 | -176.6 | 28.3 | -36.9 | 0 | 0 | 0 | 113.8 | L723 L733 | L723-P725 WeakPolarHBondContact O-CD 3.32Å; P725-L733 HydrophobicContact CB-CD1 4.19Å |
| 726 | S | 92.3 | Very high | 84.7 | Confident | 107 Ų | 107 | 67.2 Ų | 67.2 | 75% | 0.748 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -10.3 | 174.7 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | Y724 | Y724-S726 PolarHBondContact O-N 3.28Š|
| 727 | S | 94.7 | Very high | 83.9 | Confident | 4 Ų | 4 | 70.7 Ų | 70.7 | 3% | 0.028 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -66.2 | 134.4 | 175.4 | 176.4 | 0 | 0 | 0 | 0 | 109.7 | E672 Y724 L729 A730 | E672-S727 VanDerWaalsContact OE1-CB 3.28Å; E672-S727 WeakPolarHBondContact OE1-CB 3.26Å; E672-S727 PolarHBondContact OE1-OG 3.26Å; Y724-S727 VanDerWaalsContact O-CB 3.32Å; Y724-S727 WeakPolarHBondContact O-CB 3.37Å; Y724-S727 PolarHBondContact O-N 3.27Å; S727-L729 PolarHBondContact O-N 2.87Å; S727-L729 VanDerWaalsContact O-N 3.15Å; S727-L729 PolarHBondContact OG-N 3.06Å; S727-A730 WeakPolarHBondContact O-CB 3.42Å; S727-A730 PolarHBondContact O-N 3.03Å; S727-A730 VanDerWaalsContact O-N 3.09Å |
| 728 | P | 90.9 | Very high | 83.1 | Confident | 118 Ų | 118 | 74.7 Ų | 74.7 | 77% | 0.766 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.5 | 173.5 | 26.9 | -34.4 | 0 | 0 | 0 | 112.1 | ||
| 729 | L | 94.1 | Very high | 82.2 | Confident | 16 Ų | 16 | 78.9 Ų | 78.9 | 8% | 0.084 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -21.5 | 178.9 | -170.5 | 60.5 | 0 | 0 | 0 | 113.1 | T73 A74 E672 V675 Q676 F720 S727 G731 | T73-L729 CarbonylContact C-O 3.54Å; T73-L729 WeakPolarHBondContact CA-O 3.42Å; T73-L729 WeakPolarHBondContact CB-O 3.28Å; A74-L729 PolarHBondContact N-O 3.4Å; E672-L729 HydrophobicContact CB-CD2 4.19Å; E672-L729 HydrophobicContact CG-CD2 4.4Å; E672-L729 VanDerWaalsContact O-CD2 3.28Å; E672-L729 WeakPolarHBondContact O-CD2 3.32Å; V675-L729 HydrophobicContact CB-CD2 3.85Å; V675-L729 HydrophobicContact CG1-CD2 3.63Å; V675-L729 HydrophobicContact CG1-CG 4Å; Q676-L729 HydrophobicContact CB-CD2 4.08Å; Q676-L729 VanDerWaalsContact OE1-CD1 3.23Å; F720-L729 HydrophobicContact CE1-CB 4.2Å; F720-L729 HydrophobicContact CE1-CG 4.37Å; F720-L729 HydrophobicContact CZ-CB 4.4Å; S727-L729 PolarHBondContact O-N 2.87Å; S727-L729 VanDerWaalsContact O-N 3.15Å; S727-L729 PolarHBondContact OG-N 3.06Å; L729-G731 VanDerWaalsContact C-N 3.3Å; L729-G731 PolarHBondContact O-N 3Å |
| 730 | A | 92 | Very high | 81.1 | Confident | 3 Ų | 3 | 82.6 Ų | 82.6 | 3% | 0.025 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -35.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L75 F720 Y724 S727 | L75-A730 WeakPolarHBondContact CB-O 3.2Å; L75-A730 PolarHBondContact N-O 3.47Å; L75-A730 VanDerWaalsContact N-O 3.12Å; F720-A730 HydrophobicContact CD1-CB 4.46Å; F720-A730 HydrophobicContact CE1-CB 4.05Å; Y724-A730 VanDerWaalsContact O-CB 3.32Å; Y724-A730 WeakPolarHBondContact O-CB 3.44Å; S727-A730 WeakPolarHBondContact O-CB 3.42Å; S727-A730 PolarHBondContact O-N 3.03Å; S727-A730 VanDerWaalsContact O-N 3.09Å |
| 731 | G | 79.8 | Confident | 79.9 | Confident | 12 Ų | 12 | 88.1 Ų | 88.1 | 12% | 0.124 | 46% | 0.458 | C | S | . | . | trans | 101.5 | 150.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112 | L729 L733 | L729-G731 VanDerWaalsContact C-N 3.3Å; L729-G731 PolarHBondContact O-N 3Å; G731-L733 PolarHBondContact O-N 2.86Å; G731-L733 VanDerWaalsContact O-N 3.12Å | ||
| 732 | K | 59 | Low | 78.6 | Confident | 206 Ų | 206 | 92.8 Ų | 92.8 | 90% | 0.896 | 48% | 0.48 | S | S | * | . | trans | -71.5 | 107.5 | 176 | -73.2 | -176 | 179.7 | 178.8 | 0 | 109.2 | K734 | K732-K734 PolarHBondContact O-N 2.77Å; K732-K734 VanDerWaalsContact O-N 3.15Å | ||
| 733 | L | 45.9 | Very low | 77.3 | Confident | 116 Ų | 116 | 90.9 Ų | 90.9 | 61% | 0.607 | 48% | 0.483 | S | S | * | . | trans | -50.1 | 120.5 | 155.5 | -84.5 | 158.1 | 0 | 0 | 0 | 106.8 | P725 G731 L735 | P725-L733 HydrophobicContact CB-CD1 4.19Å; G731-L733 PolarHBondContact O-N 2.86Å; G731-L733 VanDerWaalsContact O-N 3.12Å; L733-L735 VanDerWaalsContact C-N 3.25Å; L733-L735 PolarHBondContact O-N 3.19Å | ||
| 734 | K | 36.8 | Very low | 75.6 | Confident | 212 Ų | 212 | 94.4 Ų | 94.4 | 92% | 0.922 | 50% | 0.502 | S | S | * | . | trans | -62.7 | 99.4 | 163.5 | -82.1 | -177.2 | 175.8 | 177.9 | 0 | 105.8 | K732 | K732-K734 PolarHBondContact O-N 2.77Å; K732-K734 VanDerWaalsContact O-N 3.15Å | ||
| 735 | L | 31.3 | Very low | 73.7 | Confident | 238 Ų | 238 | 100.4 Ų | 100.4 | 100% | 1.246 | 54% | 0.538 | S | S | * | . | trans | -59 | 0 | 168.2 | -87 | 161.7 | 0 | 0 | 0 | 110.2 | L733 | L733-L735 VanDerWaalsContact C-N 3.25Å; L733-L735 PolarHBondContact O-N 3.19Å |
Retrieved 735 of 735 residues in 1463.3 ms
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