| 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 | 29 | Very low | 59.4 | Low | 237 Ų | 237 | 96.5 Ų | 96.5 | 100% | 1.167 | 50% | 0.501 | S | S | * | . | 0 | 109.5 | 0 | -75.3 | 169 | 173.6 | 0 | 0 | 107.1 | |||||
| 2 | S | 37 | Very low | 61 | Low | 104 Ų | 104 | 92.8 Ų | 92.8 | 73% | 0.727 | 49% | 0.489 | S | S | * | . | trans | -88.6 | 108.2 | 179.8 | 175.4 | 0 | 0 | 0 | 0 | 108.3 | Y4 | S2-Y4 PolarHBondContact O-N 3.15Š| ||
| 3 | D | 43.6 | Very low | 62.5 | Low | 138 Ų | 138 | 87.5 Ų | 87.5 | 74% | 0.738 | 47% | 0.471 | S | S | * | . | trans | -61.3 | 122.7 | 177.5 | -74.2 | -32.2 | 0 | 0 | 0 | 110.6 | V5 | D3-V5 PolarHBondContact O-N 3.24Š| ||
| 4 | Y | 48.5 | Very low | 64 | Low | 135 Ų | 135 | 87.1 Ų | 87.1 | 53% | 0.529 | 46% | 0.463 | S | S | . | . | trans | -64.4 | 106.5 | 174.2 | 177.5 | -93.7 | 0 | 0 | 0 | 109.6 | S2 P6 | S2-Y4 PolarHBondContact O-N 3.15Å; Y4-P6 HydrophobicContact CE1-CB 4.15Å; Y4-P6 WeakPolarHBondContact O-CD 3.49Å | ||
| 5 | V | 52.2 | Low | 65.5 | Low | 42 Ų | 42 | 89.4 Ų | 89.4 | 26% | 0.255 | 49% | 0.485 | S | S | . | . | trans | -91.3 | 114.7 | 171.5 | -171.6 | 0 | 0 | 0 | 0 | 108.5 | D3 F27 | D3-V5 PolarHBondContact O-N 3.24Å; V5-F27 HydrophobicContact CB-CE2 4.13Å; V5-F27 HydrophobicContact CG1-CD2 4.1Å; V5-F27 HydrophobicContact CG1-CE2 3.73Å | ||
| 6 | P | 61.3 | Low | 66.8 | Low | 84 Ų | 84 | 85.8 Ų | 85.8 | 55% | 0.545 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 142.1 | 177.9 | 23.9 | -30.7 | 0 | 0 | 0 | 111 | Y4 | Y4-P6 HydrophobicContact CE1-CB 4.15Å; Y4-P6 WeakPolarHBondContact O-CD 3.49Å |
| 7 | F | 65.3 | Low | 68.1 | Low | 52 Ų | 52 | 84.4 Ų | 84.4 | 23% | 0.228 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 141.6 | 174.3 | -72.8 | -96.7 | 0 | 0 | 0 | 110.6 | G87 K117 Q334 | F7-G87 WeakPolarHBondContact CA-O 2.98Å; F7-G87 WeakPolarHBondContact CB-O 3.38Å; F7-G87 WeakPolarHBondContact CD1-O 3.36Å; F7-K117 VanDerWaalsContact CD1-NZ 3.32Å; F7-Q334 HydrophobicContact CE2-CG 4.42Å; F7-Q334 VanDerWaalsContact CE2-NE2 3.33Å |
| 8 | L | 77 | Confident | 69.3 | Low | 60 Ų | 60 | 83.7 Ų | 83.7 | 31% | 0.314 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 147.4 | 171.8 | -64.8 | 167.3 | 0 | 0 | 0 | 109.4 | S23 F27 G87 M88 Q89 | L8-S23 VanDerWaalsContact CD1-C 3.49Å; L8-S23 VanDerWaalsContact CD1-O 3.25Å; L8-S23 WeakPolarHBondContact CD1-O 3.37Å; L8-F27 HydrophobicContact CD1-CB 4.25Å; L8-G87 PolarHBondContact N-O 2.96Å; L8-G87 VanDerWaalsContact N-O 3.13Å; L8-M88 HydrophobicContact CB-CB 4.16Å; L8-M88 HydrophobicContact CB-CG 3.86Å; L8-M88 HydrophobicContact CB-SD 4.41Å; L8-M88 CarbonylContact O-C 3.57Å; L8-M88 WeakPolarHBondContact O-CA 3.33Å; L8-Q89 PolarHBondContact O-N 2.62Å |
| 9 | T | 76.9 | Confident | 70.4 | Confident | 48 Ų | 48 | 85.8 Ų | 85.8 | 29% | 0.294 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 121.4 | 173.2 | -57.4 | 0 | 0 | 0 | 0 | 108 | K11 Q92 | T9-K11 PolarHBondContact O-N 2.91Å; T9-Q92 HydrophobicContact CG2-CB 4.24Å; T9-Q92 HydrophobicContact CG2-CG 4.2Å |
| 10 | S | 81.8 | Confident | 71.3 | Confident | 4 Ų | 4 | 83 Ų | 83 | 3% | 0.028 | 46% | 0.456 | C | S | . | . | trans | -66.6 | 128.1 | 175.6 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | Q89 | S10-Q89 PolarHBondContact N-O 3.3Š| ||
| 11 | K | 80.8 | Confident | 72.1 | Confident | 157 Ų | 157 | 84 Ų | 84 | 68% | 0.683 | 45% | 0.453 | S | S | * | . | trans | -112.1 | -10.4 | 176.4 | -65.3 | -179.1 | -176 | 172.7 | 0 | 112.9 | T9 G13 | T9-K11 PolarHBondContact O-N 2.91Å; K11-G13 VanDerWaalsContact C-N 3.31Å; K11-G13 PolarHBondContact O-N 3.45Å | ||
| 12 | S | 78.3 | Confident | 75.1 | Confident | 52 Ų | 52 | 78.1 Ų | 78.1 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -79.5 | -13.2 | -173.6 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | N17 | S12-N17 PolarHBondContact OG-N 2.74Š|
| 13 | G | 81.2 | Confident | 77.6 | Confident | 24 Ų | 24 | 75.4 Ų | 75.4 | 25% | 0.247 | 40% | 0.402 | C | S | . | . | trans | 73.9 | -151.6 | -165.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | K11 P15 | K11-G13 VanDerWaalsContact C-N 3.31Å; K11-G13 PolarHBondContact O-N 3.45Å; G13-P15 CarbonylContact O-C 3.58Å | ||
| 14 | F | 83.8 | Confident | 79.8 | Confident | 82 Ų | 82 | 69.5 Ų | 69.5 | 36% | 0.36 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -119.8 | 136.7 | 179.2 | -62.7 | -75.5 | 0 | 0 | 0 | 110.7 | I16 F90 F91 T108 A112 L114 | F14-I16 HydrophobicContact CD1-CG1 4.02Å; F14-I16 HydrophobicContact CE1-CD1 4.19Å; F14-I16 HydrophobicContact CE1-CG1 4.03Å; F14-F90 HydrophobicContact CZ-CB 4.09Å; F14-F91 AromaticContact CE2-CD1 3.64Å; F14-F91 HydrophobicContact CE2-CD1 3.64Å; F14-F91 AromaticContact CE2-CE1 3.36Å; F14-F91 HydrophobicContact CE2-CE1 3.36Å; F14-F91 HydrophobicContact CE2-CZ 4.29Å; F14-F91 AromaticContact CZ-CD1 3.85Å; F14-F91 HydrophobicContact CZ-CD1 3.85Å; F14-F91 AromaticContact CZ-CE1 3.45Å; F14-F91 HydrophobicContact CZ-CE1 3.45Å; F14-F91 VanDerWaalsContact CZ-CE1 3.45Å; F14-F91 AromaticContact CZ-CZ 3.97Å; F14-F91 HydrophobicContact CZ-CZ 3.97Å; F14-T108 HydrophobicContact CD2-CG2 3.68Å; F14-T108 HydrophobicContact CE2-CG2 3.71Å; F14-A112 HydrophobicContact CE2-CB 4.37Å; F14-A112 HydrophobicContact CZ-CB 4.44Å; F14-L114 HydrophobicContact CD1-CD1 4.17Å; F14-L114 HydrophobicContact CE1-CD1 3.26Å; F14-L114 HydrophobicContact CZ-CD1 3.71Å |
| 15 | P | 85.5 | Confident | 81.7 | Confident | 122 Ų | 122 | 64.3 Ų | 64.3 | 79% | 0.792 | 35% | 0.351 | S | S | * | . | S | Bend | cis | -65.1 | 157.1 | -3.3 | 29.3 | -35.6 | 0 | 0 | 0 | 112.9 | G13 | G13-P15 CarbonylContact O-C 3.58Š|
| 16 | I | 86.6 | Confident | 83.5 | Confident | 31 Ų | 31 | 66.2 Ų | 66.2 | 16% | 0.159 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 133.6 | 178.3 | -58.1 | 175.8 | 0 | 0 | 0 | 107.8 | F14 T20 W21 M88 F90 | F14-I16 HydrophobicContact CD1-CG1 4.02Å; F14-I16 HydrophobicContact CE1-CD1 4.19Å; F14-I16 HydrophobicContact CE1-CG1 4.03Å; I16-T20 HydrophobicContact CG2-CG2 3.69Å; I16-W21 HydrophobicContact CB-CE3 4.46Å; I16-W21 HydrophobicContact CD1-CE3 4.3Å; I16-W21 HydrophobicContact CD1-CZ3 4.4Å; I16-W21 HydrophobicContact CG2-CB 4.39Å; I16-M88 HydrophobicContact CD1-CE 3.69Å; I16-M88 HydrophobicContact CG2-CE 4.29Å; I16-F90 HydrophobicContact CD1-CD1 3.66Å; I16-F90 HydrophobicContact CD1-CE1 3.89Å |
| 17 | N | 89.4 | Confident | 84.7 | Confident | 62 Ų | 62 | 63.3 Ų | 63.3 | 33% | 0.332 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 157.1 | 179.3 | 71.3 | 3.8 | 0 | 0 | 0 | 111.9 | S12 E19 T20 W21 | S12-N17 PolarHBondContact OG-N 2.74Å; N17-E19 VanDerWaalsContact C-N 3.25Å; N17-E19 WeakPolarHBondContact CB-OE2 3.35Å; N17-E19 PolarHBondContact ND2-OE2 3.42Å; N17-E19 VanDerWaalsContact ND2-OE2 3.15Å; N17-E19 PolarHBondContact O-N 3.22Å; N17-T20 PolarHBondContact O-N 3.4Å; N17-T20 WeakPolarHBondContact OD1-CB 3.43Å; N17-T20 PolarHBondContact OD1-N 3.38Å; N17-T20 PolarHBondContact OD1-OG1 2.99Å; N17-W21 WeakPolarHBondContact O-CB 3.3Å; N17-W21 PolarHBondContact O-N 2.94Å |
| 18 | A | 89 | Confident | 85.8 | Confident | 73 Ų | 73 | 62 Ų | 62 | 60% | 0.603 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.8 | -36.6 | -174 | 0 | 0 | 0 | 0 | 0 | 112.6 | W21 K22 | A18-W21 PolarHBondContact O-N 2.89Å; A18-K22 WeakPolarHBondContact O-CB 3.39Å; A18-K22 PolarHBondContact O-N 3.09Å |
| 19 | E | 90.3 | Very high | 86.3 | Confident | 124 Ų | 124 | 61.5 Ų | 61.5 | 58% | 0.579 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67.2 | -43.8 | -179.4 | -55 | 82 | -172.8 | 0 | 0 | 111.9 | N17 S23 | N17-E19 VanDerWaalsContact C-N 3.25Å; N17-E19 WeakPolarHBondContact CB-OE2 3.35Å; N17-E19 PolarHBondContact ND2-OE2 3.42Å; N17-E19 VanDerWaalsContact ND2-OE2 3.15Å; N17-E19 PolarHBondContact O-N 3.22Å; E19-S23 WeakPolarHBondContact O-CB 3.5Å; E19-S23 PolarHBondContact O-N 3.49Å; E19-S23 PolarHBondContact O-OG 3.06Å |
| 20 | T | 88.8 | Confident | 86.7 | Confident | 28 Ų | 28 | 66.5 Ų | 66.5 | 17% | 0.172 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.9 | -38.9 | 178.2 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | I16 N17 S23 M24 M88 | I16-T20 HydrophobicContact CG2-CG2 3.69Å; N17-T20 PolarHBondContact O-N 3.4Å; N17-T20 WeakPolarHBondContact OD1-CB 3.43Å; N17-T20 PolarHBondContact OD1-N 3.38Å; N17-T20 PolarHBondContact OD1-OG1 2.99Å; T20-S23 PolarHBondContact O-N 3.26Å; T20-M24 PolarHBondContact O-N 3.48Å; T20-M88 HydrophobicContact CG2-CE 4.07Å; T20-M88 HydrophobicContact CG2-SD 3.3Å; T20-M88 WeakPolarHBondContact CG2-SD 3.43Å |
| 21 | W | 88.7 | Confident | 86.8 | Confident | 106 Ų | 106 | 70.1 Ų | 70.1 | 40% | 0.402 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60 | -51.2 | 175.4 | -173.5 | -105.1 | 0 | 0 | 0 | 111.5 | I16 N17 A18 S23 M24 F25 Y43 | I16-W21 HydrophobicContact CB-CE3 4.46Å; I16-W21 HydrophobicContact CD1-CE3 4.3Å; I16-W21 HydrophobicContact CD1-CZ3 4.4Å; I16-W21 HydrophobicContact CG2-CB 4.39Å; N17-W21 WeakPolarHBondContact O-CB 3.3Å; N17-W21 PolarHBondContact O-N 2.94Å; A18-W21 PolarHBondContact O-N 2.89Å; W21-S23 VanDerWaalsContact C-N 3.34Å; W21-S23 PolarHBondContact O-N 3.06Å; W21-M24 HydrophobicContact CD2-CE 4.19Å; W21-M24 HydrophobicContact CE3-CE 3.73Å; W21-M24 HydrophobicContact CH2-CE 3.95Å; W21-M24 HydrophobicContact CZ2-CE 4.38Å; W21-M24 HydrophobicContact CZ3-CE 3.6Å; W21-M24 WeakPolarHBondContact O-CB 3.46Å; W21-M24 PolarHBondContact O-N 3.26Å; W21-F25 HydrophobicContact CD2-CE2 4.17Å; W21-F25 AromaticContact CE2-CE2 3.47Å; W21-F25 VanDerWaalsContact CE2-CE2 3.47Å; W21-F25 HydrophobicContact CH2-CE2 4.23Å; W21-F25 AromaticContact CZ2-CE2 3.52Å; W21-F25 HydrophobicContact CZ2-CE2 3.52Å; W21-F25 HydrophobicContact CZ2-CZ 4.07Å; W21-F25 AromaticContact NE1-CE2 3.6Å; W21-F25 PolarHBondContact O-N 2.87Å; W21-Y43 AromaticContact CD1-CE2 3.75Å; W21-Y43 AromaticContact NE1-CE2 3.88Å |
| 22 | K | 90.2 | Very high | 87 | Confident | 112 Ų | 112 | 66.4 Ų | 66.4 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.3 | -46 | 175.5 | -173.4 | -174.6 | 175.1 | -171.2 | 0 | 111.8 | A18 M24 F25 D26 | A18-K22 WeakPolarHBondContact O-CB 3.39Å; A18-K22 PolarHBondContact O-N 3.09Å; K22-M24 PolarHBondContact O-N 3.22Å; K22-F25 PolarHBondContact O-N 3.49Å; K22-F25 VanDerWaalsContact O-N 3.09Å; K22-D26 PolarHBondContact O-N 2.93Å |
| 23 | S | 89.5 | Confident | 87.1 | Confident | 48 Ų | 48 | 67.9 Ų | 67.9 | 34% | 0.336 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.8 | -34.4 | 179 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | L8 E19 T20 W21 F27 | L8-S23 VanDerWaalsContact CD1-C 3.49Å; L8-S23 VanDerWaalsContact CD1-O 3.25Å; L8-S23 WeakPolarHBondContact CD1-O 3.37Å; E19-S23 WeakPolarHBondContact O-CB 3.5Å; E19-S23 PolarHBondContact O-N 3.49Å; E19-S23 PolarHBondContact O-OG 3.06Å; T20-S23 PolarHBondContact O-N 3.26Å; W21-S23 VanDerWaalsContact C-N 3.34Å; W21-S23 PolarHBondContact O-N 3.06Å; S23-F27 WeakPolarHBondContact O-CB 3.4Å; S23-F27 PolarHBondContact O-N 3.08Å |
| 24 | M | 89.8 | Confident | 87.4 | Confident | 13 Ų | 13 | 74 Ų | 74 | 6% | 0.064 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.8 | -48.6 | 174.8 | -177.3 | -176.4 | 68.7 | 0 | 0 | 111.2 | T20 W21 K22 F27 C28 M88 F90 | T20-M24 PolarHBondContact O-N 3.48Å; W21-M24 HydrophobicContact CD2-CE 4.19Å; W21-M24 HydrophobicContact CE3-CE 3.73Å; W21-M24 HydrophobicContact CH2-CE 3.95Å; W21-M24 HydrophobicContact CZ2-CE 4.38Å; W21-M24 HydrophobicContact CZ3-CE 3.6Å; W21-M24 WeakPolarHBondContact O-CB 3.46Å; W21-M24 PolarHBondContact O-N 3.26Å; K22-M24 PolarHBondContact O-N 3.22Å; M24-F27 WeakPolarHBondContact O-CB 3.48Å; M24-F27 PolarHBondContact O-N 2.82Å; M24-C28 PolarHBondContact O-N 3.04Å; M24-C28 PolarHBondContact O-SG 3.48Å; M24-C28 VanDerWaalsContact O-SG 3.36Å; M24-M88 HydrophobicContact CB-CB 4.32Å; M24-M88 HydrophobicContact CB-CE 4.21Å; M24-M88 HydrophobicContact CB-SD 3.91Å; M24-M88 HydrophobicContact CG-CB 3.92Å; M24-M88 HydrophobicContact CG-CE 4.3Å; M24-M88 HydrophobicContact CG-SD 4.34Å; M24-M88 HydrophobicContact SD-CB 4.25Å; M24-M88 HydrophobicContact SD-CE 3.65Å; M24-M88 HydrophobicContact SD-SD 4.44Å; M24-F90 HydrophobicContact SD-CE1 3.83Å; M24-F90 HydrophobicContact SD-CZ 4.04Å |
| 25 | F | 89.7 | Confident | 87.5 | Confident | 27 Ų | 27 | 72.3 Ų | 72.3 | 12% | 0.118 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 178.5 | -83.9 | -98 | 0 | 0 | 0 | 112.1 | W21 K22 F27 C28 L29 I39 L42 Y43 | W21-F25 HydrophobicContact CD2-CE2 4.17Å; W21-F25 AromaticContact CE2-CE2 3.47Å; W21-F25 VanDerWaalsContact CE2-CE2 3.47Å; W21-F25 HydrophobicContact CH2-CE2 4.23Å; W21-F25 AromaticContact CZ2-CE2 3.52Å; W21-F25 HydrophobicContact CZ2-CE2 3.52Å; W21-F25 HydrophobicContact CZ2-CZ 4.07Å; W21-F25 AromaticContact NE1-CE2 3.6Å; W21-F25 PolarHBondContact O-N 2.87Å; K22-F25 PolarHBondContact O-N 3.49Å; K22-F25 VanDerWaalsContact O-N 3.09Å; F25-F27 VanDerWaalsContact C-N 3.26Å; F25-F27 PolarHBondContact O-N 3.13Å; F25-C28 WeakPolarHBondContact O-CB 3.4Å; F25-C28 PolarHBondContact O-N 3.17Å; F25-C28 VanDerWaalsContact O-N 3.12Å; F25-L29 WeakPolarHBondContact O-CB 3.25Å; F25-L29 WeakPolarHBondContact O-CG 3.47Å; F25-L29 PolarHBondContact O-N 3.12Å; F25-I39 HydrophobicContact CD1-CG2 3.7Å; F25-I39 HydrophobicContact CE1-CG2 4.34Å; F25-L42 HydrophobicContact CE1-CB 4.23Å; F25-Y43 HydrophobicContact CB-CD2 4.04Å; F25-Y43 HydrophobicContact CB-CE2 4.49Å; F25-Y43 AromaticContact CD1-CD2 3.72Å; F25-Y43 HydrophobicContact CD1-CD2 3.72Å; F25-Y43 HydrophobicContact CD1-CG 4.09Å; F25-Y43 AromaticContact CD2-CD2 3.65Å; F25-Y43 HydrophobicContact CD2-CD2 3.65Å; F25-Y43 HydrophobicContact CD2-CE2 4.2Å; F25-Y43 HydrophobicContact CE1-CD2 4.02Å; F25-Y43 HydrophobicContact CE1-CG 4.32Å; F25-Y43 AromaticContact CE2-CD2 3.96Å; F25-Y43 HydrophobicContact CE2-CD2 3.96Å; F25-Y43 AromaticContact CG-CD2 3.51Å; F25-Y43 HydrophobicContact CG-CD2 3.51Å; F25-Y43 HydrophobicContact CG-CE2 4.27Å; F25-Y43 HydrophobicContact CG-CG 4.29Å; F25-Y43 HydrophobicContact CZ-CD2 4.12Å |
| 26 | D | 88.9 | Confident | 87.5 | Confident | 81 Ų | 81 | 73.1 Ų | 73.1 | 43% | 0.433 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.1 | -40.3 | 174.3 | -69.6 | -20.3 | 0 | 0 | 0 | 111.3 | K22 K30 | K22-D26 PolarHBondContact O-N 2.93Å; D26-K30 WeakPolarHBondContact O-CB 3.4Å; D26-K30 PolarHBondContact O-N 3.33Å |
| 27 | F | 87.6 | Confident | 87.6 | Confident | 23 Ų | 23 | 79.1 Ų | 79.1 | 10% | 0.101 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 174.5 | -178 | -86 | 0 | 0 | 0 | 112.1 | V5 L8 S23 M24 F25 L29 K30 Q31 | V5-F27 HydrophobicContact CB-CE2 4.13Å; V5-F27 HydrophobicContact CG1-CD2 4.1Å; V5-F27 HydrophobicContact CG1-CE2 3.73Å; L8-F27 HydrophobicContact CD1-CB 4.25Å; S23-F27 WeakPolarHBondContact O-CB 3.4Å; S23-F27 PolarHBondContact O-N 3.08Å; M24-F27 WeakPolarHBondContact O-CB 3.48Å; M24-F27 PolarHBondContact O-N 2.82Å; F25-F27 VanDerWaalsContact C-N 3.26Å; F25-F27 PolarHBondContact O-N 3.13Å; F27-L29 VanDerWaalsContact C-N 3.34Å; F27-L29 PolarHBondContact O-N 2.96Å; F27-K30 PolarHBondContact O-N 3.27Å; F27-Q31 HydrophobicContact CD1-CG 4.01Å; F27-Q31 HydrophobicContact CE1-CG 3.54Å; F27-Q31 HydrophobicContact CE2-CG 4.42Å; F27-Q31 HydrophobicContact CZ-CG 3.79Å; F27-Q31 VanDerWaalsContact CZ-NE2 3.28Å; F27-Q31 WeakPolarHBondContact O-CG 3.39Å; F27-Q31 PolarHBondContact O-N 3.36Å; F27-Q31 VanDerWaalsContact O-N 3.08Å |
| 28 | C | 87.1 | Confident | 87.5 | Confident | 26 Ų | 26 | 82.3 Ų | 82.3 | 18% | 0.176 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 177.1 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | M24 F25 K30 Q31 N32 I39 T86 | M24-C28 PolarHBondContact O-N 3.04Å; M24-C28 PolarHBondContact O-SG 3.48Å; M24-C28 VanDerWaalsContact O-SG 3.36Å; F25-C28 WeakPolarHBondContact O-CB 3.4Å; F25-C28 PolarHBondContact O-N 3.17Å; F25-C28 VanDerWaalsContact O-N 3.12Å; C28-K30 VanDerWaalsContact C-N 3.34Å; C28-K30 PolarHBondContact O-N 3.3Å; C28-Q31 PolarHBondContact O-N 3.1Å; C28-N32 PolarHBondContact O-N 3.02Å; C28-N32 PolarHBondContact O-ND2 2.83Å; C28-N32 VanDerWaalsContact O-ND2 3.11Å; C28-I39 HydrophobicContact CB-CD1 4.15Å; C28-I39 HydrophobicContact CB-CG2 4.29Å; C28-T86 PolarHBondContact SG-O 2.96Å; C28-T86 VanDerWaalsContact SG-O 3.39Å |
| 29 | L | 87.7 | Confident | 87.4 | Confident | 48 Ų | 48 | 79.7 Ų | 79.7 | 25% | 0.251 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 176.3 | -75.1 | 173 | 0 | 0 | 0 | 111.9 | F25 F27 Q31 N32 S33 K36 I39 | F25-L29 WeakPolarHBondContact O-CB 3.25Å; F25-L29 WeakPolarHBondContact O-CG 3.47Å; F25-L29 PolarHBondContact O-N 3.12Å; F27-L29 VanDerWaalsContact C-N 3.34Å; F27-L29 PolarHBondContact O-N 2.96Å; L29-Q31 VanDerWaalsContact C-N 3.35Å; L29-Q31 PolarHBondContact O-N 3.25Å; L29-N32 CarbonylContact O-C 3.58Å; L29-S33 PolarHBondContact O-N 3.32Å; L29-K36 HydrophobicContact CD2-CB 4.24Å; L29-K36 HydrophobicContact CD2-CG 3.96Å; L29-I39 HydrophobicContact CD2-CB 3.68Å; L29-I39 HydrophobicContact CD2-CD1 4.11Å; L29-I39 HydrophobicContact CD2-CG1 4.5Å; L29-I39 HydrophobicContact CD2-CG2 3.63Å; L29-I39 HydrophobicContact CG-CB 4.3Å; L29-I39 HydrophobicContact CG-CG2 3.68Å |
| 30 | K | 86.9 | Confident | 87.2 | Confident | 153 Ų | 153 | 75.8 Ų | 75.8 | 67% | 0.665 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.5 | -34.9 | 178.1 | -175 | 174.1 | -179.9 | 175.3 | 0 | 112.9 | D26 F27 C28 | D26-K30 WeakPolarHBondContact O-CB 3.4Å; D26-K30 PolarHBondContact O-N 3.33Å; F27-K30 PolarHBondContact O-N 3.27Å; C28-K30 VanDerWaalsContact C-N 3.34Å; C28-K30 PolarHBondContact O-N 3.3Å |
| 31 | Q | 83.6 | Confident | 87.2 | Confident | 80 Ų | 80 | 78.4 Ų | 78.4 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -82.7 | -28.2 | -179.3 | -65.9 | -67.3 | -6.2 | 0 | 0 | 113.2 | F27 C28 L29 | F27-Q31 HydrophobicContact CD1-CG 4.01Å; F27-Q31 HydrophobicContact CE1-CG 3.54Å; F27-Q31 HydrophobicContact CE2-CG 4.42Å; F27-Q31 HydrophobicContact CZ-CG 3.79Å; F27-Q31 VanDerWaalsContact CZ-NE2 3.28Å; F27-Q31 WeakPolarHBondContact O-CG 3.39Å; F27-Q31 PolarHBondContact O-N 3.36Å; F27-Q31 VanDerWaalsContact O-N 3.08Å; C28-Q31 PolarHBondContact O-N 3.1Å; L29-Q31 VanDerWaalsContact C-N 3.35Å; L29-Q31 PolarHBondContact O-N 3.25Å |
| 32 | N | 84 | Confident | 87.1 | Confident | 80 Ų | 80 | 78.4 Ų | 78.4 | 43% | 0.428 | 40% | 0.399 | S | S | . | . | trans | -129.7 | 66.8 | -173.6 | -51.1 | -85.7 | 0 | 0 | 0 | 109.6 | C28 L29 D34 C35 I39 | C28-N32 PolarHBondContact O-N 3.02Å; C28-N32 PolarHBondContact O-ND2 2.83Å; C28-N32 VanDerWaalsContact O-ND2 3.11Å; L29-N32 CarbonylContact O-C 3.58Å; N32-D34 PolarHBondContact O-N 2.93Å; N32-D34 VanDerWaalsContact O-N 3.12Å; N32-C35 HydrophobicContact CB-CB 4.17Å; N32-C35 PolarHBondContact O-N 3.34Å; N32-I39 HydrophobicContact CB-CD1 4.15Å | ||
| 33 | S | 80.7 | Confident | 86.9 | Confident | 82 Ų | 82 | 78.4 Ų | 78.4 | 57% | 0.573 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -52.1 | -35 | 178.7 | 46.7 | 0 | 0 | 0 | 0 | 112.5 | L29 C35 K36 | L29-S33 PolarHBondContact O-N 3.32Å; S33-C35 VanDerWaalsContact C-N 3.27Å; S33-C35 PolarHBondContact O-N 2.92Å; S33-K36 WeakPolarHBondContact O-CB 3.18Å; S33-K36 PolarHBondContact O-N 3.08Å |
| 34 | D | 87.2 | Confident | 86.7 | Confident | 154 Ų | 154 | 82.8 Ų | 82.8 | 82% | 0.824 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -73.2 | -24 | -173.8 | -48.7 | -17.7 | 0 | 0 | 0 | 111.6 | N32 | N32-D34 PolarHBondContact O-N 2.93Å; N32-D34 VanDerWaalsContact O-N 3.12Å |
| 35 | C | 85.4 | Confident | 86.2 | Confident | 46 Ų | 46 | 84.7 Ų | 84.7 | 31% | 0.311 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -98.3 | 16.9 | 178.8 | -60.2 | 0 | 0 | 0 | 0 | 112.8 | N32 S33 K37 Q38 I39 | N32-C35 HydrophobicContact CB-CB 4.17Å; N32-C35 PolarHBondContact O-N 3.34Å; S33-C35 VanDerWaalsContact C-N 3.27Å; S33-C35 PolarHBondContact O-N 2.92Å; C35-K37 VanDerWaalsContact C-N 3.29Å; C35-K37 PolarHBondContact O-N 3.01Å; C35-Q38 PolarHBondContact O-N 3.49Å; C35-Q38 VanDerWaalsContact O-N 3.11Å; C35-I39 HydrophobicContact CB-CD1 4.17Å; C35-I39 HydrophobicContact CB-CG1 4.44Å; C35-I39 WeakPolarHBondContact O-CG1 3.19Å; C35-I39 PolarHBondContact O-N 2.82Å |
| 36 | K | 87.5 | Confident | 84.8 | Confident | 138 Ų | 138 | 89 Ų | 89 | 60% | 0.6 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -49.5 | -47.6 | -175.7 | 177.6 | 173 | -178.6 | -175.3 | 0 | 112.8 | L29 S33 I39 T40 | L29-K36 HydrophobicContact CD2-CB 4.24Å; L29-K36 HydrophobicContact CD2-CG 3.96Å; S33-K36 WeakPolarHBondContact O-CB 3.18Å; S33-K36 PolarHBondContact O-N 3.08Å; K36-I39 PolarHBondContact O-N 3.5Å; K36-T40 PolarHBondContact O-N 2.7Å; K36-T40 PolarHBondContact O-OG1 3.16Å; K36-T40 VanDerWaalsContact O-OG1 3.1Å |
| 37 | K | 88.2 | Confident | 83.4 | Confident | 158 Ų | 158 | 92.1 Ų | 92.1 | 69% | 0.687 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -58.3 | -51.3 | 179.5 | -175.3 | 177.7 | 177.3 | -177.7 | 0 | 111.7 | C35 I39 T40 D41 | C35-K37 VanDerWaalsContact C-N 3.29Å; C35-K37 PolarHBondContact O-N 3.01Å; K37-I39 VanDerWaalsContact C-N 3.3Å; K37-I39 PolarHBondContact O-N 3.33Å; K37-T40 PolarHBondContact O-N 2.78Å; K37-D41 WeakPolarHBondContact O-CB 3.46Å; K37-D41 PolarHBondContact O-N 2.98Å |
| 38 | Q | 87.9 | Confident | 82 | Confident | 129 Ų | 129 | 99.2 Ų | 99.2 | 60% | 0.603 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.6 | -40.1 | -179.9 | -63.2 | 174.6 | 18.6 | 0 | 0 | 112.1 | C35 L42 | C35-Q38 PolarHBondContact O-N 3.49Å; C35-Q38 VanDerWaalsContact O-N 3.11Å; Q38-L42 WeakPolarHBondContact O-CB 3.15Å; Q38-L42 WeakPolarHBondContact O-CG 3.48Å; Q38-L42 PolarHBondContact O-N 3.32Å |
| 39 | I | 86.5 | Confident | 80.7 | Confident | 18 Ų | 18 | 103.4 Ų | 103.4 | 9% | 0.092 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -69.9 | -40.6 | -180 | -62.8 | 165.5 | 0 | 0 | 0 | 111 | F25 C28 L29 N32 C35 K36 K37 Y43 | F25-I39 HydrophobicContact CD1-CG2 3.7Å; F25-I39 HydrophobicContact CE1-CG2 4.34Å; C28-I39 HydrophobicContact CB-CD1 4.15Å; C28-I39 HydrophobicContact CB-CG2 4.29Å; L29-I39 HydrophobicContact CD2-CB 3.68Å; L29-I39 HydrophobicContact CD2-CD1 4.11Å; L29-I39 HydrophobicContact CD2-CG1 4.5Å; L29-I39 HydrophobicContact CD2-CG2 3.63Å; L29-I39 HydrophobicContact CG-CB 4.3Å; L29-I39 HydrophobicContact CG-CG2 3.68Å; N32-I39 HydrophobicContact CB-CD1 4.15Å; C35-I39 HydrophobicContact CB-CD1 4.17Å; C35-I39 HydrophobicContact CB-CG1 4.44Å; C35-I39 WeakPolarHBondContact O-CG1 3.19Å; C35-I39 PolarHBondContact O-N 2.82Å; K36-I39 PolarHBondContact O-N 3.5Å; K37-I39 VanDerWaalsContact C-N 3.3Å; K37-I39 PolarHBondContact O-N 3.33Å; I39-Y43 PolarHBondContact O-N 3.12Å; I39-Y43 VanDerWaalsContact O-N 3.08Å |
| 40 | T | 86.3 | Confident | 79.6 | Confident | 41 Ų | 41 | 106.5 Ų | 106.5 | 25% | 0.252 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 173.9 | -61.5 | 0 | 0 | 0 | 0 | 111 | K36 K37 L42 Y43 E44 | K36-T40 PolarHBondContact O-N 2.7Å; K36-T40 PolarHBondContact O-OG1 3.16Å; K36-T40 VanDerWaalsContact O-OG1 3.1Å; K37-T40 PolarHBondContact O-N 2.78Å; T40-L42 VanDerWaalsContact C-N 3.29Å; T40-L42 PolarHBondContact O-N 3.07Å; T40-Y43 WeakPolarHBondContact O-CB 3.49Å; T40-Y43 PolarHBondContact O-N 3.29Å; T40-E44 HydrophobicContact CG2-CG 4.32Å; T40-E44 WeakPolarHBondContact CG2-OE1 3.43Å; T40-E44 PolarHBondContact O-N 3.49Å |
| 41 | D | 87.1 | Confident | 78.8 | Confident | 84 Ų | 84 | 105.7 Ų | 105.7 | 45% | 0.449 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 178.2 | -65.6 | -13.1 | 0 | 0 | 0 | 111 | K37 Y43 E44 S45 | K37-D41 WeakPolarHBondContact O-CB 3.46Å; K37-D41 PolarHBondContact O-N 2.98Å; D41-Y43 VanDerWaalsContact C-N 3.35Å; D41-Y43 PolarHBondContact O-N 3.08Å; D41-E44 PolarHBondContact O-N 2.99Å; D41-S45 WeakPolarHBondContact O-CA 3.44Å; D41-S45 WeakPolarHBondContact O-CB 3.41Å; D41-S45 PolarHBondContact O-N 2.77Å; D41-S45 PolarHBondContact O-OG 2.92Å |
| 42 | L | 87.1 | Confident | 78.4 | Confident | 106 Ų | 106 | 106.1 Ų | 106.1 | 56% | 0.555 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.9 | -29.5 | 175 | -75.2 | 170.9 | 0 | 0 | 0 | 113.8 | F25 Q38 T40 S45 | F25-L42 HydrophobicContact CE1-CB 4.23Å; Q38-L42 WeakPolarHBondContact O-CB 3.15Å; Q38-L42 WeakPolarHBondContact O-CG 3.48Å; Q38-L42 PolarHBondContact O-N 3.32Å; T40-L42 VanDerWaalsContact C-N 3.29Å; T40-L42 PolarHBondContact O-N 3.07Å; L42-S45 PolarHBondContact O-OG 3.11Å; L42-S45 VanDerWaalsContact O-OG 3.12Å |
| 43 | Y | 85.9 | Confident | 78.4 | Confident | 111 Ų | 111 | 110 Ų | 110 | 44% | 0.435 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -76.2 | -38.9 | 177.2 | -175.6 | -101.7 | 0 | 0 | 0 | 111.5 | W21 F25 I39 T40 D41 | W21-Y43 AromaticContact CD1-CE2 3.75Å; W21-Y43 AromaticContact NE1-CE2 3.88Å; F25-Y43 HydrophobicContact CB-CD2 4.04Å; F25-Y43 HydrophobicContact CB-CE2 4.49Å; F25-Y43 AromaticContact CD1-CD2 3.72Å; F25-Y43 HydrophobicContact CD1-CD2 3.72Å; F25-Y43 HydrophobicContact CD1-CG 4.09Å; F25-Y43 AromaticContact CD2-CD2 3.65Å; F25-Y43 HydrophobicContact CD2-CD2 3.65Å; F25-Y43 HydrophobicContact CD2-CE2 4.2Å; F25-Y43 HydrophobicContact CE1-CD2 4.02Å; F25-Y43 HydrophobicContact CE1-CG 4.32Å; F25-Y43 AromaticContact CE2-CD2 3.96Å; F25-Y43 HydrophobicContact CE2-CD2 3.96Å; F25-Y43 AromaticContact CG-CD2 3.51Å; F25-Y43 HydrophobicContact CG-CD2 3.51Å; F25-Y43 HydrophobicContact CG-CE2 4.27Å; F25-Y43 HydrophobicContact CG-CG 4.29Å; F25-Y43 HydrophobicContact CZ-CD2 4.12Å; I39-Y43 PolarHBondContact O-N 3.12Å; I39-Y43 VanDerWaalsContact O-N 3.08Å; T40-Y43 WeakPolarHBondContact O-CB 3.49Å; T40-Y43 PolarHBondContact O-N 3.29Å; D41-Y43 VanDerWaalsContact C-N 3.35Å; D41-Y43 PolarHBondContact O-N 3.08Å |
| 44 | E | 85 | Confident | 78.8 | Confident | 140 Ų | 140 | 109.2 Ų | 109.2 | 65% | 0.654 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -87.5 | -18.1 | -177.5 | -66.3 | 177.5 | -176.9 | 0 | 0 | 112.8 | T40 D41 S46 | T40-E44 HydrophobicContact CG2-CG 4.32Å; T40-E44 WeakPolarHBondContact CG2-OE1 3.43Å; T40-E44 PolarHBondContact O-N 3.49Å; D41-E44 PolarHBondContact O-N 2.99Å; E44-S46 PolarHBondContact O-N 3.47Å |
| 45 | S | 79.4 | Confident | 78.9 | Confident | 53 Ų | 53 | 107 Ų | 107 | 37% | 0.371 | 55% | 0.554 | S | S | . | * | trans | -59.9 | 114.4 | 179.3 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | D41 L42 | D41-S45 WeakPolarHBondContact O-CA 3.44Å; D41-S45 WeakPolarHBondContact O-CB 3.41Å; D41-S45 PolarHBondContact O-N 2.77Å; D41-S45 PolarHBondContact O-OG 2.92Å; L42-S45 PolarHBondContact O-OG 3.11Å; L42-S45 VanDerWaalsContact O-OG 3.12Å | ||
| 46 | S | 61.7 | Low | 79 | Confident | 117 Ų | 117 | 109.4 Ų | 109.4 | 82% | 0.818 | 56% | 0.563 | S | S | * | * | trans | -77.3 | -11.7 | 167.3 | 61.5 | 0 | 0 | 0 | 0 | 112.7 | E44 E48 | E44-S46 PolarHBondContact O-N 3.47Å; S46-E48 PolarHBondContact O-N 3.06Å; S46-E48 VanDerWaalsContact O-N 3.08Å | ||
| 47 | Q | 58.1 | Low | 79 | Confident | 147 Ų | 147 | 103.8 Ų | 103.8 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | trans | -66.6 | 109.9 | 176.6 | -72.3 | -173.7 | -9.4 | 0 | 0 | 108.9 | N49 | Q47-N49 PolarHBondContact O-N 3.31Š| ||
| 48 | E | 59.2 | Low | 78.8 | Confident | 172 Ų | 172 | 101 Ų | 101 | 80% | 0.804 | 54% | 0.536 | S | S | * | . | trans | -62.4 | 87.7 | 163.4 | -67.1 | -172.3 | 167.9 | 0 | 0 | 107.7 | S46 V50 | S46-E48 PolarHBondContact O-N 3.06Å; S46-E48 VanDerWaalsContact O-N 3.08Å; E48-V50 HydrophobicContact CB-CG2 3.76Å; E48-V50 PolarHBondContact O-N 3.12Å | ||
| 49 | N | 60.4 | Low | 78.5 | Confident | 114 Ų | 114 | 95.7 Ų | 95.7 | 61% | 0.61 | 51% | 0.511 | S | S | * | . | trans | -66.1 | 82.2 | 159.4 | -76.6 | -40.8 | 0 | 0 | 0 | 106.1 | Q47 I51 | Q47-N49 PolarHBondContact O-N 3.31Å; N49-I51 VanDerWaalsContact C-N 3.26Å; N49-I51 PolarHBondContact O-N 3.39Å | ||
| 50 | V | 62.9 | Low | 77.9 | Confident | 113 Ų | 113 | 103.1 Ų | 103.1 | 69% | 0.685 | 54% | 0.538 | S | S | * | . | trans | -68.8 | 89.1 | -178.1 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | E48 S52 | E48-V50 HydrophobicContact CB-CG2 3.76Å; E48-V50 PolarHBondContact O-N 3.12Å; V50-S52 PolarHBondContact O-N 3.41Å | ||
| 51 | I | 70.1 | Confident | 77.3 | Confident | 137 Ų | 137 | 104.2 Ų | 104.2 | 70% | 0.703 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 121 | 166.3 | -59.9 | 174.8 | 0 | 0 | 0 | 106.2 | N49 K53 | N49-I51 VanDerWaalsContact C-N 3.26Å; N49-I51 PolarHBondContact O-N 3.39Å; I51-K53 PolarHBondContact O-N 3Å |
| 52 | S | 75.7 | Confident | 76.2 | Confident | 89 Ų | 89 | 107.7 Ų | 107.7 | 62% | 0.622 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 127 | 177.7 | 59.6 | 0 | 0 | 0 | 0 | 109.9 | V50 K54 | V50-S52 PolarHBondContact O-N 3.41Å; S52-K54 PolarHBondContact O-N 3.24Å |
| 53 | K | 84.3 | Confident | 75.4 | Confident | 161 Ų | 161 | 108.6 Ų | 108.6 | 70% | 0.7 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 137 | 175.3 | -71.8 | -172 | 179.4 | -175.7 | 0 | 109.1 | I51 | I51-K53 PolarHBondContact O-N 3Š|
| 54 | K | 89.1 | Confident | 74.9 | Confident | 66 Ų | 66 | 111.8 Ų | 111.8 | 29% | 0.287 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 131.5 | 178.8 | -56.2 | -54.6 | 179 | -174.8 | 0 | 108.4 | S52 L56 S80 L81 S113 | S52-K54 PolarHBondContact O-N 3.24Å; K54-L56 PolarHBondContact O-N 3.39Å; K54-S80 WeakPolarHBondContact CE-O 3.43Å; K54-L81 HydrophobicContact CG-CD2 4.47Å; K54-S113 PolarHBondContact N-OG 3.33Å |
| 55 | P | 89.2 | Confident | 74.9 | Confident | 108 Ų | 108 | 107 Ų | 107 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 141.1 | -179.2 | 25.1 | -33.5 | 0 | 0 | 0 | 109.7 | ||
| 56 | L | 88.4 | Confident | 75.5 | Confident | 96 Ų | 96 | 108.2 Ų | 108.2 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 129.1 | 175.1 | -62.6 | 177.9 | 0 | 0 | 0 | 108.7 | K54 M110 | K54-L56 PolarHBondContact O-N 3.39Å; L56-M110 HydrophobicContact CD2-CB 3.7Å; L56-M110 HydrophobicContact CD2-CE 4.1Å |
| 57 | P | 86.8 | Confident | 76.9 | Confident | 19 Ų | 19 | 103.6 Ų | 103.6 | 12% | 0.123 | 54% | 0.537 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 134.9 | -177 | 32.9 | -33.8 | 0 | 0 | 0 | 109.6 | F59 Y77 M110 L128 | P57-F59 HydrophobicContact CB-CD2 4.12Å; P57-F59 HydrophobicContact CB-CE2 3.45Å; P57-F59 VanDerWaalsContact CB-CE2 3.45Å; P57-F59 HydrophobicContact CB-CZ 3.73Å; P57-F59 HydrophobicContact CG-CD2 4.38Å; P57-F59 HydrophobicContact CG-CE2 3.75Å; P57-F59 HydrophobicContact CG-CZ 4.43Å; P57-Y77 HydrophobicContact CB-CD2 3.96Å; P57-Y77 HydrophobicContact CB-CE2 4.28Å; P57-Y77 HydrophobicContact CB-CG 4.11Å; P57-Y77 VanDerWaalsContact CD-CE2 3.48Å; P57-Y77 VanDerWaalsContact CD-CZ 3.49Å; P57-Y77 HydrophobicContact CG-CD1 3.92Å; P57-Y77 HydrophobicContact CG-CD2 3.88Å; P57-Y77 HydrophobicContact CG-CE1 3.8Å; P57-Y77 HydrophobicContact CG-CE2 3.81Å; P57-Y77 HydrophobicContact CG-CG 3.93Å; P57-M110 HydrophobicContact CG-CE 3.92Å; P57-L128 HydrophobicContact CG-CD2 3.94Å |
| 58 | V | 83.7 | Confident | 78.6 | Confident | 100 Ų | 100 | 101 Ų | 101 | 61% | 0.606 | 53% | 0.525 | S | S | * | . | trans | -107.3 | 99.8 | 176.2 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | R60 | V58-R60 HydrophobicContact CG1-CG 4.28Š| ||
| 59 | F | 80.9 | Confident | 80.3 | Confident | 17 Ų | 17 | 96.9 Ų | 96.9 | 8% | 0.075 | 51% | 0.508 | C | S | . | . | trans | -97.4 | 113 | 174.7 | -63.9 | -59 | 0 | 0 | 0 | 109.4 | P57 F70 K73 V74 L128 | P57-F59 HydrophobicContact CB-CD2 4.12Å; P57-F59 HydrophobicContact CB-CE2 3.45Å; P57-F59 VanDerWaalsContact CB-CE2 3.45Å; P57-F59 HydrophobicContact CB-CZ 3.73Å; P57-F59 HydrophobicContact CG-CD2 4.38Å; P57-F59 HydrophobicContact CG-CE2 3.75Å; P57-F59 HydrophobicContact CG-CZ 4.43Å; F59-F70 HydrophobicContact CB-CE2 3.97Å; F59-F70 HydrophobicContact CD1-CD2 4.17Å; F59-F70 AromaticContact CD1-CE2 3.58Å; F59-F70 HydrophobicContact CD1-CE2 3.58Å; F59-F70 HydrophobicContact CD1-CZ 4.43Å; F59-F70 HydrophobicContact CE1-CE2 4.32Å; F59-F70 AromaticContact CG-CE2 3.88Å; F59-F70 HydrophobicContact CG-CE2 3.88Å; F59-F70 HydrophobicContact CG-CZ 4.49Å; F59-K73 HydrophobicContact CE1-CB 3.83Å; F59-V74 HydrophobicContact CD1-CG2 4.46Å; F59-V74 HydrophobicContact CE1-CG2 3.9Å; F59-V74 HydrophobicContact CE2-CG2 4.16Å; F59-V74 HydrophobicContact CZ-CB 4.39Å; F59-V74 HydrophobicContact CZ-CG2 3.75Å; F59-L128 HydrophobicContact CD2-CB 4.12Å; F59-L128 HydrophobicContact CD2-CD2 4.04Å; F59-L128 HydrophobicContact CE2-CB 3.86Å; F59-L128 HydrophobicContact CE2-CD1 4.04Å; F59-L128 HydrophobicContact CE2-CD2 3.76Å; F59-L128 HydrophobicContact CE2-CG 4.06Å | ||
| 60 | R | 74.9 | Confident | 81.9 | Confident | 175 Ų | 175 | 91.5 Ų | 91.5 | 66% | 0.66 | 48% | 0.479 | S | S | * | . | trans | -96 | 127.5 | 178 | -64.6 | -173.5 | -177.4 | 175.9 | 0.7 | 109.2 | V58 D62 K63 | V58-R60 HydrophobicContact CG1-CG 4.28Å; R60-D62 VanDerWaalsContact C-N 3.3Å; R60-K63 HydrophobicContact CB-CB 4.18Å | ||
| 61 | V | 73 | Confident | 83.5 | Confident | 64 Ų | 64 | 86.1 Ų | 86.1 | 39% | 0.388 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -33 | 177.9 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | K63 G131 | V61-K63 VanDerWaalsContact C-N 3.29Å; V61-K63 PolarHBondContact O-N 3.04Å; V61-G131 WeakPolarHBondContact CG1-O 3.38Å |
| 62 | D | 64.7 | Low | 84.7 | Confident | 157 Ų | 157 | 82 Ų | 82 | 84% | 0.84 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 0.2 | -173.9 | -46.8 | -43.7 | 0 | 0 | 0 | 113.8 | R60 I64 | R60-D62 VanDerWaalsContact C-N 3.3Å; D62-I64 PolarHBondContact O-N 3.2Å |
| 63 | K | 71 | Confident | 85.7 | Confident | 124 Ų | 124 | 81.9 Ų | 81.9 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -80.1 | 123 | 179.7 | -170.3 | 171.6 | -177.8 | 169.5 | 0 | 108.9 | R60 V61 E65 | R60-K63 HydrophobicContact CB-CB 4.18Å; V61-K63 VanDerWaalsContact C-N 3.29Å; V61-K63 PolarHBondContact O-N 3.04Å; K63-E65 VanDerWaalsContact C-N 3.33Å; K63-E65 PolarHBondContact O-N 3.11Å |
| 64 | I | 74.8 | Confident | 86.3 | Confident | 179 Ų | 179 | 74.2 Ų | 74.2 | 92% | 0.918 | 38% | 0.381 | S | S | * | . | trans | -66.8 | 95.2 | 170.1 | -54.8 | 172.7 | 0 | 0 | 0 | 107.5 | D62 | D62-I64 PolarHBondContact O-N 3.2Š| ||
| 65 | E | 85.3 | Confident | 86.7 | Confident | 39 Ų | 39 | 71.2 Ų | 71.2 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | trans | -135.7 | 151.1 | 171.1 | 66.7 | -178 | 153.1 | 0 | 0 | 110.3 | K63 F70 K73 | K63-E65 VanDerWaalsContact C-N 3.33Å; K63-E65 PolarHBondContact O-N 3.11Å; E65-F70 HydrophobicContact CG-CB 4.09Å; E65-F70 WeakPolarHBondContact OE1-CD2 3.17Å; E65-K73 IonicContact OE2-NZ 2.63Å; E65-K73 PolarHBondContact OE2-NZ 3.35Å | ||
| 66 | T | 90.7 | Very high | 87 | Confident | 79 Ų | 79 | 71 Ų | 71 | 49% | 0.485 | 36% | 0.361 | S | S | . | . | trans | -68.1 | 147.1 | 177.7 | 64.7 | 0 | 0 | 0 | 0 | 110.1 | E68 N69 F70 | T66-E68 PolarHBondContact O-N 3.27Å; T66-N69 PolarHBondContact O-N 2.77Å; T66-N69 VanDerWaalsContact O-N 3.11Å; T66-N69 WeakPolarHBondContact OG1-CB 3.33Å; T66-N69 VanDerWaalsContact OG1-CG 3.23Å; T66-N69 PolarHBondContact OG1-N 3.4Å; T66-N69 PolarHBondContact OG1-ND2 2.79Å; T66-F70 PolarHBondContact O-N 3.25Å | ||
| 67 | A | 92.5 | Very high | 87.5 | Confident | 19 Ų | 19 | 67.1 Ų | 67.1 | 16% | 0.157 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -53.6 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L71 Y134 L135 L181 | A67-L71 WeakPolarHBondContact O-CB 3.29Å; A67-L71 VanDerWaalsContact O-CG 3.23Å; A67-L71 WeakPolarHBondContact O-CG 3.5Å; A67-L71 PolarHBondContact O-N 3.3Å; A67-Y134 HydrophobicContact CB-CD2 4.02Å; A67-Y134 HydrophobicContact CB-CE2 3.58Å; A67-L135 HydrophobicContact CB-CD2 4.12Å; A67-L181 HydrophobicContact CB-CD1 3.66Å |
| 68 | E | 94.1 | Very high | 88 | Confident | 94 Ų | 94 | 66.2 Ų | 66.2 | 44% | 0.439 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.4 | -47.6 | 177.2 | -175.2 | 172.6 | -164.2 | 0 | 0 | 112.4 | T66 F70 L71 N72 | T66-E68 PolarHBondContact O-N 3.27Å; E68-F70 VanDerWaalsContact C-N 3.31Å; E68-F70 PolarHBondContact O-N 3.37Å; E68-L71 PolarHBondContact O-N 2.89Å; E68-N72 WeakPolarHBondContact O-CB 3.21Å; E68-N72 VanDerWaalsContact O-CG 3.28Å; E68-N72 PolarHBondContact O-N 3.03Å; E68-N72 PolarHBondContact O-ND2 3.23Å |
| 69 | N | 93.5 | Very high | 88.6 | Confident | 85 Ų | 85 | 64.3 Ų | 64.3 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 177.6 | -77.1 | -14.3 | 0 | 0 | 0 | 111.9 | T66 N72 K73 | T66-N69 PolarHBondContact O-N 2.77Å; T66-N69 VanDerWaalsContact O-N 3.11Å; T66-N69 WeakPolarHBondContact OG1-CB 3.33Å; T66-N69 VanDerWaalsContact OG1-CG 3.23Å; T66-N69 PolarHBondContact OG1-N 3.4Å; T66-N69 PolarHBondContact OG1-ND2 2.79Å; N69-N72 PolarHBondContact O-N 2.92Å; N69-K73 WeakPolarHBondContact O-CG 3.2Å; N69-K73 PolarHBondContact O-N 3.32Å; N69-K73 VanDerWaalsContact O-N 3.12Å |
| 70 | F | 95 | Very high | 89.3 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.6 | -51.2 | 174.4 | 173.8 | -102.9 | 0 | 0 | 0 | 111.6 | F59 E65 T66 E68 N72 K73 V74 T129 Q132 L135 | F59-F70 HydrophobicContact CB-CE2 3.97Å; F59-F70 HydrophobicContact CD1-CD2 4.17Å; F59-F70 AromaticContact CD1-CE2 3.58Å; F59-F70 HydrophobicContact CD1-CE2 3.58Å; F59-F70 HydrophobicContact CD1-CZ 4.43Å; F59-F70 HydrophobicContact CE1-CE2 4.32Å; F59-F70 AromaticContact CG-CE2 3.88Å; F59-F70 HydrophobicContact CG-CE2 3.88Å; F59-F70 HydrophobicContact CG-CZ 4.49Å; E65-F70 HydrophobicContact CG-CB 4.09Å; E65-F70 WeakPolarHBondContact OE1-CD2 3.17Å; T66-F70 PolarHBondContact O-N 3.25Å; E68-F70 VanDerWaalsContact C-N 3.31Å; E68-F70 PolarHBondContact O-N 3.37Å; F70-N72 VanDerWaalsContact C-N 3.32Å; F70-N72 PolarHBondContact O-N 2.91Å; F70-K73 WeakPolarHBondContact O-CB 3.21Å; F70-K73 PolarHBondContact O-N 3.03Å; F70-K73 VanDerWaalsContact O-N 3.13Å; F70-V74 HydrophobicContact CD1-CG2 4.43Å; F70-V74 HydrophobicContact CE1-CG2 3.88Å; F70-V74 HydrophobicContact CE2-CG2 4.14Å; F70-V74 HydrophobicContact CZ-CG2 3.7Å; F70-V74 PolarHBondContact O-N 3Å; F70-T129 HydrophobicContact CE1-CG2 3.94Å; F70-T129 HydrophobicContact CZ-CG2 4.43Å; F70-Q132 HydrophobicContact CD1-CG 4.31Å; F70-Q132 HydrophobicContact CE1-CB 4.35Å; F70-Q132 HydrophobicContact CE1-CG 3.62Å; F70-Q132 HydrophobicContact CE2-CG 4.08Å; F70-Q132 HydrophobicContact CZ-CG 3.5Å; F70-L135 HydrophobicContact CD1-CD1 3.89Å; F70-L135 HydrophobicContact CE1-CD1 3.93Å |
| 71 | L | 96.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 179.3 | -71.1 | 176.1 | 0 | 0 | 0 | 112.5 | A67 E68 K73 V74 Q75 T129 L135 I158 L168 L181 | A67-L71 WeakPolarHBondContact O-CB 3.29Å; A67-L71 VanDerWaalsContact O-CG 3.23Å; A67-L71 WeakPolarHBondContact O-CG 3.5Å; A67-L71 PolarHBondContact O-N 3.3Å; E68-L71 PolarHBondContact O-N 2.89Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 2.81Å; L71-V74 PolarHBondContact O-N 3.34Å; L71-Q75 WeakPolarHBondContact O-CB 3.28Å; L71-Q75 PolarHBondContact O-N 3.21Å; L71-T129 HydrophobicContact CD2-CG2 4.39Å; L71-L135 HydrophobicContact CD2-CD1 3.96Å; L71-L135 HydrophobicContact CG-CD1 4.39Å; L71-I158 HydrophobicContact CD1-CG2 4.06Å; L71-I158 HydrophobicContact CD2-CD1 4.46Å; L71-I158 HydrophobicContact CD2-CG1 4.19Å; L71-I158 HydrophobicContact CD2-CG2 4.46Å; L71-L168 HydrophobicContact CB-CD2 4.35Å; L71-L168 HydrophobicContact CD2-CD1 3.62Å; L71-L168 HydrophobicContact CD2-CD2 4.2Å; L71-L168 HydrophobicContact CD2-CG 3.99Å; L71-L181 HydrophobicContact CD1-CD1 3.33Å; L71-L181 HydrophobicContact CD1-CD2 4.07Å; L71-L181 HydrophobicContact CD1-CG 3.45Å; L71-L181 VanDerWaalsContact CD1-CG 3.45Å; L71-L181 HydrophobicContact CG-CD1 4.5Å |
| 72 | N | 95.9 | Very high | 91.4 | Very high | 51 Ų | 51 | 60 Ų | 60 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 173.2 | -76.7 | -28.1 | 0 | 0 | 0 | 111.3 | E68 N69 F70 Q75 N76 Y178 | E68-N72 WeakPolarHBondContact O-CB 3.21Å; E68-N72 VanDerWaalsContact O-CG 3.28Å; E68-N72 PolarHBondContact O-N 3.03Å; E68-N72 PolarHBondContact O-ND2 3.23Å; N69-N72 PolarHBondContact O-N 2.92Å; F70-N72 VanDerWaalsContact C-N 3.32Å; F70-N72 PolarHBondContact O-N 2.91Å; N72-Q75 PolarHBondContact O-N 3.28Å; N72-N76 VanDerWaalsContact O-CB 3.31Å; N72-N76 WeakPolarHBondContact O-CB 3.37Å; N72-N76 PolarHBondContact O-N 2.94Å; N72-N76 PolarHBondContact O-ND2 3.12Å; N72-N76 PolarHBondContact O-OD1 3.28Å; N72-Y178 VanDerWaalsContact OD1-CZ 3.25Å; N72-Y178 PolarHBondContact OD1-OH 2.81Å |
| 73 | K | 95.5 | Very high | 92.8 | Very high | 86 Ų | 86 | 53.4 Ų | 53.4 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 175.6 | -68.4 | 170 | -179.1 | 170.9 | 0 | 112.4 | F59 E65 N69 F70 L71 N76 Y77 | F59-K73 HydrophobicContact CE1-CB 3.83Å; E65-K73 IonicContact OE2-NZ 2.63Å; E65-K73 PolarHBondContact OE2-NZ 3.35Å; N69-K73 WeakPolarHBondContact O-CG 3.2Å; N69-K73 PolarHBondContact O-N 3.32Å; N69-K73 VanDerWaalsContact O-N 3.12Å; F70-K73 WeakPolarHBondContact O-CB 3.21Å; F70-K73 PolarHBondContact O-N 3.03Å; F70-K73 VanDerWaalsContact O-N 3.13Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 2.81Å; K73-N76 PolarHBondContact O-N 3.5Å; K73-Y77 PolarHBondContact O-N 3.17Å |
| 74 | V | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.5 | -48.2 | 175.6 | 177.6 | 0 | 0 | 0 | 0 | 110.1 | F59 F70 L71 N76 Y77 L78 L128 T129 L168 | F59-V74 HydrophobicContact CD1-CG2 4.46Å; F59-V74 HydrophobicContact CE1-CG2 3.9Å; F59-V74 HydrophobicContact CE2-CG2 4.16Å; F59-V74 HydrophobicContact CZ-CB 4.39Å; F59-V74 HydrophobicContact CZ-CG2 3.75Å; F70-V74 HydrophobicContact CD1-CG2 4.43Å; F70-V74 HydrophobicContact CE1-CG2 3.88Å; F70-V74 HydrophobicContact CE2-CG2 4.14Å; F70-V74 HydrophobicContact CZ-CG2 3.7Å; F70-V74 PolarHBondContact O-N 3Å; L71-V74 PolarHBondContact O-N 3.34Å; V74-N76 PolarHBondContact O-N 3.18Å; V74-Y77 WeakPolarHBondContact O-CB 3.25Å; V74-Y77 PolarHBondContact O-N 2.93Å; V74-L78 WeakPolarHBondContact O-CG 3.44Å; V74-L78 PolarHBondContact O-N 3.09Å; V74-L128 HydrophobicContact CG1-CB 3.99Å; V74-L128 HydrophobicContact CG1-CD1 4.04Å; V74-L128 HydrophobicContact CG2-CB 4.37Å; V74-T129 HydrophobicContact CG1-CG2 4.33Å; V74-T129 HydrophobicContact CG2-CG2 4.28Å; V74-L168 HydrophobicContact CB-CD1 4.23Å; V74-L168 HydrophobicContact CB-CD2 4.39Å; V74-L168 HydrophobicContact CG1-CD1 3.69Å; V74-L168 HydrophobicContact CG1-CD2 4.33Å |
| 75 | Q | 97.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -40.7 | 178.4 | -174.2 | 62 | 50.3 | 0 | 0 | 112.2 | L71 N72 Y77 L78 N79 L168 G169 Y178 | L71-Q75 WeakPolarHBondContact O-CB 3.28Å; L71-Q75 PolarHBondContact O-N 3.21Å; N72-Q75 PolarHBondContact O-N 3.28Å; Q75-Y77 VanDerWaalsContact C-N 3.29Å; Q75-Y77 PolarHBondContact O-N 3.18Å; Q75-L78 WeakPolarHBondContact O-CB 3.43Å; Q75-L78 PolarHBondContact O-N 3.15Å; Q75-L78 VanDerWaalsContact O-N 3.14Å; Q75-N79 PolarHBondContact NE2-OD1 2.91Å; Q75-N79 WeakPolarHBondContact O-CB 3.35Å; Q75-N79 VanDerWaalsContact O-CG 3.24Å; Q75-N79 PolarHBondContact O-N 3.5Å; Q75-L168 HydrophobicContact CB-CD2 3.87Å; Q75-G169 PolarHBondContact NE2-O 2.91Å; Q75-G169 PolarHBondContact OE1-O 2.97Å; Q75-Y178 HydrophobicContact CB-CD2 3.95Å; Q75-Y178 HydrophobicContact CB-CE2 4.32Å; Q75-Y178 HydrophobicContact CB-CG 4.38Å; Q75-Y178 HydrophobicContact CG-CD1 4.47Å; Q75-Y178 HydrophobicContact CG-CD2 3.75Å; Q75-Y178 HydrophobicContact CG-CG 3.73Å |
| 76 | N | 96.7 | Very high | 94.8 | Very high | 102 Ų | 102 | 46.3 Ų | 46.3 | 55% | 0.545 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 176.4 | -72.8 | -13.8 | 0 | 0 | 0 | 111.4 | N72 K73 V74 N79 S80 | N72-N76 VanDerWaalsContact O-CB 3.31Å; N72-N76 WeakPolarHBondContact O-CB 3.37Å; N72-N76 PolarHBondContact O-N 2.94Å; N72-N76 PolarHBondContact O-ND2 3.12Å; N72-N76 PolarHBondContact O-OD1 3.28Å; K73-N76 PolarHBondContact O-N 3.5Å; V74-N76 PolarHBondContact O-N 3.18Å; N76-N79 PolarHBondContact O-N 3.31Å; N76-S80 WeakPolarHBondContact O-CB 3.35Å; N76-S80 PolarHBondContact O-N 3.12Å |
| 77 | Y | 97.2 | Very high | 94.5 | Very high | 15 Ų | 15 | 42.6 Ų | 42.6 | 6% | 0.059 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 172.7 | -177.1 | -104.8 | 0 | 0 | 0 | 112.1 | P57 K73 V74 Q75 N79 S80 L81 M110 L124 L128 | P57-Y77 HydrophobicContact CB-CD2 3.96Å; P57-Y77 HydrophobicContact CB-CE2 4.28Å; P57-Y77 HydrophobicContact CB-CG 4.11Å; P57-Y77 VanDerWaalsContact CD-CE2 3.48Å; P57-Y77 VanDerWaalsContact CD-CZ 3.49Å; P57-Y77 HydrophobicContact CG-CD1 3.92Å; P57-Y77 HydrophobicContact CG-CD2 3.88Å; P57-Y77 HydrophobicContact CG-CE1 3.8Å; P57-Y77 HydrophobicContact CG-CE2 3.81Å; P57-Y77 HydrophobicContact CG-CG 3.93Å; K73-Y77 PolarHBondContact O-N 3.17Å; V74-Y77 WeakPolarHBondContact O-CB 3.25Å; V74-Y77 PolarHBondContact O-N 2.93Å; Q75-Y77 VanDerWaalsContact C-N 3.29Å; Q75-Y77 PolarHBondContact O-N 3.18Å; Y77-N79 VanDerWaalsContact C-N 3.34Å; Y77-N79 PolarHBondContact O-N 2.8Å; Y77-S80 WeakPolarHBondContact O-CB 3.41Å; Y77-S80 PolarHBondContact O-N 3.2Å; Y77-S80 PolarHBondContact O-OG 2.92Å; Y77-L81 HydrophobicContact CE1-CD1 4.15Å; Y77-L81 PolarHBondContact O-N 3Å; Y77-M110 HydrophobicContact CE1-CG 4.44Å; Y77-L124 HydrophobicContact CD1-CD2 4.32Å; Y77-L124 HydrophobicContact CE1-CD1 4.39Å; Y77-L124 HydrophobicContact CE1-CD2 3.95Å; Y77-L128 HydrophobicContact CD1-CD1 3.54Å; Y77-L128 HydrophobicContact CE1-CD1 4.07Å; Y77-L128 HydrophobicContact CG-CD1 4.5Å |
| 78 | L | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 174.5 | -60.6 | 179.5 | 0 | 0 | 0 | 111.3 | V74 Q75 S80 L81 A121 L124 A125 L128 L170 | V74-L78 WeakPolarHBondContact O-CG 3.44Å; V74-L78 PolarHBondContact O-N 3.09Å; Q75-L78 WeakPolarHBondContact O-CB 3.43Å; Q75-L78 PolarHBondContact O-N 3.15Å; Q75-L78 VanDerWaalsContact O-N 3.14Å; L78-S80 VanDerWaalsContact C-N 3.29Å; L78-S80 PolarHBondContact O-N 2.8Å; L78-L81 PolarHBondContact O-N 3.31Å; L78-A121 HydrophobicContact CD2-CB 4.47Å; L78-L124 HydrophobicContact CD2-CB 4.17Å; L78-L124 HydrophobicContact CD2-CD2 3.54Å; L78-L124 HydrophobicContact CD2-CG 3.8Å; L78-A125 HydrophobicContact CD1-CB 4.14Å; L78-L128 HydrophobicContact CD2-CD1 4.47Å; L78-L170 HydrophobicContact CB-CD1 4.38Å; L78-L170 HydrophobicContact CB-CD2 4.23Å; L78-L170 HydrophobicContact CB-CG 4.13Å |
| 79 | N | 96.9 | Very high | 94.1 | Very high | 61 Ų | 61 | 39.1 Ų | 39.1 | 33% | 0.326 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62 | -37.4 | 178.2 | -68.4 | -13.7 | 0 | 0 | 0 | 111.5 | Q75 N76 Y77 L81 E82 L170 | Q75-N79 PolarHBondContact NE2-OD1 2.91Å; Q75-N79 WeakPolarHBondContact O-CB 3.35Å; Q75-N79 VanDerWaalsContact O-CG 3.24Å; Q75-N79 PolarHBondContact O-N 3.5Å; N76-N79 PolarHBondContact O-N 3.31Å; Y77-N79 VanDerWaalsContact C-N 3.34Å; Y77-N79 PolarHBondContact O-N 2.8Å; N79-L81 PolarHBondContact O-N 3.38Å; N79-E82 WeakPolarHBondContact O-CA 3.43Å; N79-E82 PolarHBondContact O-N 3.03Å; N79-L170 WeakPolarHBondContact OD1-CD2 3.36Å |
| 80 | S | 95.6 | Very high | 94 | Very high | 40 Ų | 40 | 35.9 Ų | 35.9 | 28% | 0.28 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.1 | -22 | 178.4 | 81.3 | 0 | 0 | 0 | 0 | 114.2 | K54 N76 Y77 L78 E82 | K54-S80 WeakPolarHBondContact CE-O 3.43Å; N76-S80 WeakPolarHBondContact O-CB 3.35Å; N76-S80 PolarHBondContact O-N 3.12Å; Y77-S80 WeakPolarHBondContact O-CB 3.41Å; Y77-S80 PolarHBondContact O-N 3.2Å; Y77-S80 PolarHBondContact O-OG 2.92Å; L78-S80 VanDerWaalsContact C-N 3.29Å; L78-S80 PolarHBondContact O-N 2.8Å; S80-E82 VanDerWaalsContact C-N 3.33Å |
| 81 | L | 95.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -15.9 | 174.1 | -65.2 | 174.8 | 0 | 0 | 0 | 112.2 | K54 Y77 L78 N79 I109 P115 I116 L124 | K54-L81 HydrophobicContact CG-CD2 4.47Å; Y77-L81 HydrophobicContact CE1-CD1 4.15Å; Y77-L81 PolarHBondContact O-N 3Å; L78-L81 PolarHBondContact O-N 3.31Å; N79-L81 PolarHBondContact O-N 3.38Å; L81-I109 HydrophobicContact CD1-CG2 4.11Å; L81-P115 WeakPolarHBondContact O-CA 3.38Å; L81-I116 HydrophobicContact CB-CD1 4.25Å; L81-I116 HydrophobicContact CB-CG1 3.98Å; L81-I116 HydrophobicContact CD1-CD1 3.75Å; L81-I116 HydrophobicContact CD1-CG1 4.26Å; L81-L124 HydrophobicContact CD1-CD2 3.53Å |
| 82 | E | 95.2 | Very high | 93.7 | Very high | 120 Ų | 120 | 39.6 Ų | 39.6 | 56% | 0.561 | 19% | 0.191 | S | C | * | . | trans | 67.8 | 152.8 | -178 | -54.3 | 173.6 | -175.7 | 0 | 0 | 114.7 | N79 S80 I116 | N79-E82 WeakPolarHBondContact O-CA 3.43Å; N79-E82 PolarHBondContact O-N 3.03Å; S80-E82 VanDerWaalsContact C-N 3.33Å; E82-I116 PolarHBondContact O-N 2.95Å; E82-I116 VanDerWaalsContact O-N 3.11Å | ||
| 83 | Y | 95.8 | Very high | 93.6 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 8% | 0.078 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -75.6 | 131.5 | 171.7 | -169.3 | -82.1 | 0 | 0 | 0 | 109.6 | Y85 I116 L170 S171 R172 | Y83-Y85 HydrophobicContact CD1-CD1 4.21Å; Y83-Y85 HydrophobicContact CD1-CD2 4.28Å; Y83-Y85 AromaticContact CD1-CE1 3.93Å; Y83-Y85 HydrophobicContact CD1-CE1 3.93Å; Y83-Y85 AromaticContact CD1-CE2 4Å; Y83-Y85 HydrophobicContact CD1-CE2 4Å; Y83-Y85 HydrophobicContact CD1-CG 4.36Å; Y83-Y85 AromaticContact CD1-CZ 3.8Å; Y83-Y85 HydrophobicContact CG-CE2 4.31Å; Y83-Y85 WeakPolarHBondContact O-CD2 3.41Å; Y83-Y85 WeakPolarHBondContact O-CE2 3.45Å; Y83-Y85 PolarHBondContact O-N 3.43Å; Y83-Y85 VanDerWaalsContact O-N 3.12Å; Y83-I116 CarbonylContact C-O 3.53Å; Y83-I116 WeakPolarHBondContact CA-O 3.15Å; Y83-L170 HydrophobicContact CD2-CB 4.21Å; Y83-S171 VanDerWaalsContact CD2-C 3.46Å; Y83-R172 HydrophobicContact CD1-CG 3.59Å; Y83-R172 HydrophobicContact CD2-CG 4.4Å; Y83-R172 HydrophobicContact CE1-CG 3.28Å; Y83-R172 HydrophobicContact CE2-CG 4.14Å; Y83-R172 HydrophobicContact CG-CG 4.15Å |
| 84 | N | 94.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | trans | -74.9 | 105.2 | -179.1 | -176.7 | -25 | 0 | 0 | 0 | 112.7 | T86 M88 F90 P115 I116 K117 | N84-T86 PolarHBondContact OD1-N 3.44Å; N84-T86 PolarHBondContact OD1-OG1 3.47Å; N84-M88 PolarHBondContact ND2-O 3.23Å; N84-M88 PolarHBondContact OD1-O 3.2Å; N84-F90 WeakPolarHBondContact ND2-CD2 3.18Å; N84-F90 VanDerWaalsContact ND2-CE2 3.33Å; N84-F90 WeakPolarHBondContact ND2-CE2 3.36Å; N84-P115 HydrophobicContact CB-CB 3.73Å; N84-P115 PolarHBondContact ND2-O 2.98Å; N84-I116 PolarHBondContact N-O 3.25Å; N84-K117 HydrophobicContact CB-CG 3.85Å; N84-K117 WeakPolarHBondContact O-CE 3.26Å | ||
| 85 | Y | 90.4 | Very high | 93.2 | Very high | 153 Ų | 153 | 39 Ų | 39 | 60% | 0.6 | 19% | 0.188 | S | C | * | . | trans | -95.9 | -3 | 175 | -65 | -80.1 | 0 | 0 | 0 | 114.5 | Y83 G87 R172 | Y83-Y85 HydrophobicContact CD1-CD1 4.21Å; Y83-Y85 HydrophobicContact CD1-CD2 4.28Å; Y83-Y85 AromaticContact CD1-CE1 3.93Å; Y83-Y85 HydrophobicContact CD1-CE1 3.93Å; Y83-Y85 AromaticContact CD1-CE2 4Å; Y83-Y85 HydrophobicContact CD1-CE2 4Å; Y83-Y85 HydrophobicContact CD1-CG 4.36Å; Y83-Y85 AromaticContact CD1-CZ 3.8Å; Y83-Y85 HydrophobicContact CG-CE2 4.31Å; Y83-Y85 WeakPolarHBondContact O-CD2 3.41Å; Y83-Y85 WeakPolarHBondContact O-CE2 3.45Å; Y83-Y85 PolarHBondContact O-N 3.43Å; Y83-Y85 VanDerWaalsContact O-N 3.12Å; Y85-G87 PolarHBondContact O-N 3.38Å; Y85-R172 HydrophobicContact CE1-CB 4.23Å; Y85-R172 HydrophobicContact CE1-CG 3.59Å | ||
| 86 | T | 87.6 | Confident | 92.9 | Very high | 39 Ų | 39 | 40.6 Ų | 40.6 | 24% | 0.239 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -70.4 | -4.5 | -169.3 | 70.6 | 0 | 0 | 0 | 0 | 114.9 | C28 N84 M88 F90 | C28-T86 PolarHBondContact SG-O 2.96Å; C28-T86 VanDerWaalsContact SG-O 3.39Å; N84-T86 PolarHBondContact OD1-N 3.44Å; N84-T86 PolarHBondContact OD1-OG1 3.47Å; T86-M88 PolarHBondContact O-N 3.09Å; T86-M88 PolarHBondContact OG1-N 2.9Å; T86-M88 PolarHBondContact OG1-O 3.49Å; T86-F90 HydrophobicContact CG2-CE2 4.32Å; T86-F90 HydrophobicContact CG2-CZ 4.04Å |
| 87 | G | 84.1 | Confident | 92.8 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 79.2 | -7.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F7 L8 Y85 | F7-G87 WeakPolarHBondContact CA-O 2.98Å; F7-G87 WeakPolarHBondContact CB-O 3.38Å; F7-G87 WeakPolarHBondContact CD1-O 3.36Å; L8-G87 PolarHBondContact N-O 2.96Å; L8-G87 VanDerWaalsContact N-O 3.13Å; Y85-G87 PolarHBondContact O-N 3.38Å |
| 88 | M | 87.6 | Confident | 92.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 124.5 | -179.4 | -172.9 | 171 | 82.1 | 0 | 0 | 111.7 | L8 I16 T20 M24 N84 T86 F90 | L8-M88 HydrophobicContact CB-CB 4.16Å; L8-M88 HydrophobicContact CB-CG 3.86Å; L8-M88 HydrophobicContact CB-SD 4.41Å; L8-M88 CarbonylContact O-C 3.57Å; L8-M88 WeakPolarHBondContact O-CA 3.33Å; I16-M88 HydrophobicContact CD1-CE 3.69Å; I16-M88 HydrophobicContact CG2-CE 4.29Å; T20-M88 HydrophobicContact CG2-CE 4.07Å; T20-M88 HydrophobicContact CG2-SD 3.3Å; T20-M88 WeakPolarHBondContact CG2-SD 3.43Å; M24-M88 HydrophobicContact CB-CB 4.32Å; M24-M88 HydrophobicContact CB-CE 4.21Å; M24-M88 HydrophobicContact CB-SD 3.91Å; M24-M88 HydrophobicContact CG-CB 3.92Å; M24-M88 HydrophobicContact CG-CE 4.3Å; M24-M88 HydrophobicContact CG-SD 4.34Å; M24-M88 HydrophobicContact SD-CB 4.25Å; M24-M88 HydrophobicContact SD-CE 3.65Å; M24-M88 HydrophobicContact SD-SD 4.44Å; N84-M88 PolarHBondContact ND2-O 3.23Å; N84-M88 PolarHBondContact OD1-O 3.2Å; T86-M88 PolarHBondContact O-N 3.09Å; T86-M88 PolarHBondContact OG1-N 2.9Å; T86-M88 PolarHBondContact OG1-O 3.49Å; M88-F90 HydrophobicContact CE-CD1 3.51Å; M88-F90 HydrophobicContact CE-CE1 3.41Å; M88-F90 VanDerWaalsContact CE-CE1 3.41Å; M88-F90 PolarHBondContact O-N 3.25Å |
| 89 | Q | 90.2 | Very high | 92.7 | Very high | 40 Ų | 40 | 37.5 Ų | 37.5 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 115.1 | 170.3 | -177.2 | 169.3 | -16.6 | 0 | 0 | 109.7 | L8 S10 F91 | L8-Q89 PolarHBondContact O-N 2.62Å; S10-Q89 PolarHBondContact N-O 3.3Å; Q89-F91 WeakPolarHBondContact CG-O 3.45Å; Q89-F91 PolarHBondContact NE2-O 3.2Å |
| 90 | F | 92.2 | Very high | 92.6 | Very high | 16 Ų | 16 | 38.1 Ų | 38.1 | 7% | 0.07 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -73.8 | -36.9 | -179.1 | -60.2 | -63.5 | 0 | 0 | 0 | 112.7 | F14 I16 M24 N84 T86 M88 L114 P115 | F14-F90 HydrophobicContact CZ-CB 4.09Å; I16-F90 HydrophobicContact CD1-CD1 3.66Å; I16-F90 HydrophobicContact CD1-CE1 3.89Å; M24-F90 HydrophobicContact SD-CE1 3.83Å; M24-F90 HydrophobicContact SD-CZ 4.04Å; N84-F90 WeakPolarHBondContact ND2-CD2 3.18Å; N84-F90 VanDerWaalsContact ND2-CE2 3.33Å; N84-F90 WeakPolarHBondContact ND2-CE2 3.36Å; T86-F90 HydrophobicContact CG2-CE2 4.32Å; T86-F90 HydrophobicContact CG2-CZ 4.04Å; M88-F90 HydrophobicContact CE-CD1 3.51Å; M88-F90 HydrophobicContact CE-CE1 3.41Å; M88-F90 VanDerWaalsContact CE-CE1 3.41Å; M88-F90 PolarHBondContact O-N 3.25Å; F90-L114 HydrophobicContact CB-CD1 4.29Å; F90-L114 HydrophobicContact CD1-CD1 4.3Å; F90-L114 HydrophobicContact CD2-CB 4.02Å; F90-L114 HydrophobicContact CD2-CD1 4.37Å; F90-L114 HydrophobicContact CE2-CB 4.44Å; F90-L114 HydrophobicContact CG-CB 4.49Å; F90-L114 HydrophobicContact CG-CD1 4.09Å; F90-P115 WeakPolarHBondContact CD2-O 3.4Å; F90-P115 HydrophobicContact CE2-CB 4.37Å |
| 91 | F | 93 | Very high | 92.6 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -113 | 116.7 | -175.2 | -45.6 | -88.4 | 0 | 0 | 0 | 111.5 | F14 Q89 V93 L105 T108 I109 A112 L114 I116 E120 | F14-F91 AromaticContact CE2-CD1 3.64Å; F14-F91 HydrophobicContact CE2-CD1 3.64Å; F14-F91 AromaticContact CE2-CE1 3.36Å; F14-F91 HydrophobicContact CE2-CE1 3.36Å; F14-F91 HydrophobicContact CE2-CZ 4.29Å; F14-F91 AromaticContact CZ-CD1 3.85Å; F14-F91 HydrophobicContact CZ-CD1 3.85Å; F14-F91 AromaticContact CZ-CE1 3.45Å; F14-F91 HydrophobicContact CZ-CE1 3.45Å; F14-F91 VanDerWaalsContact CZ-CE1 3.45Å; F14-F91 AromaticContact CZ-CZ 3.97Å; F14-F91 HydrophobicContact CZ-CZ 3.97Å; Q89-F91 WeakPolarHBondContact CG-O 3.45Å; Q89-F91 PolarHBondContact NE2-O 3.2Å; F91-V93 PolarHBondContact O-N 3.02Å; F91-L105 HydrophobicContact CB-CD1 3.73Å; F91-T108 HydrophobicContact CD1-CG2 4.33Å; F91-T108 HydrophobicContact CE1-CG2 4.17Å; F91-I109 HydrophobicContact CB-CD1 4.45Å; F91-I109 HydrophobicContact CB-CG1 4.16Å; F91-I109 HydrophobicContact CD1-CG1 3.59Å; F91-I109 HydrophobicContact CD2-CG1 3.82Å; F91-I109 HydrophobicContact CE1-CB 4.29Å; F91-I109 HydrophobicContact CE1-CG1 3.82Å; F91-I109 HydrophobicContact CE2-CG1 4.03Å; F91-I109 HydrophobicContact CG-CD1 4.34Å; F91-I109 HydrophobicContact CG-CG1 3.59Å; F91-I109 HydrophobicContact CZ-CB 4.31Å; F91-I109 HydrophobicContact CZ-CG1 4.03Å; F91-A112 HydrophobicContact CE1-CB 3.93Å; F91-A112 HydrophobicContact CZ-CB 3.91Å; F91-L114 HydrophobicContact CE2-CB 3.98Å; F91-L114 HydrophobicContact CZ-CB 3.88Å; F91-L114 HydrophobicContact CZ-CD1 4.35Å; F91-L114 HydrophobicContact CZ-CG 4.46Å; F91-I116 HydrophobicContact CD2-CG2 3.87Å; F91-I116 HydrophobicContact CE2-CG2 3.74Å; F91-E120 HydrophobicContact CB-CG 4.29Å; F91-E120 VanDerWaalsContact CB-OE1 3.28Å; F91-E120 WeakPolarHBondContact CB-OE1 3.46Å; F91-E120 WeakPolarHBondContact CD2-OE1 3.39Å; F91-E120 PolarHBondContact N-OE1 3.08Å; F91-E120 VanDerWaalsContact O-OE1 3.13Å |
| 92 | Q | 91.8 | Very high | 92.7 | Very high | 75 Ų | 75 | 40.2 Ų | 40.2 | 35% | 0.35 | 20% | 0.198 | S | C | . | . | trans | -75.4 | 113.7 | 178.5 | -170.5 | -175 | -6.1 | 0 | 0 | 111.2 | T9 | T9-Q92 HydrophobicContact CG2-CB 4.24Å; T9-Q92 HydrophobicContact CG2-CG 4.2Å | ||
| 93 | V | 92.5 | Very high | 92.7 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | trans | -98.9 | 115.2 | 177.7 | -169 | 0 | 0 | 0 | 0 | 111.4 | F91 L102 L105 L119 E120 I123 | F91-V93 PolarHBondContact O-N 3.02Å; V93-L102 HydrophobicContact CG1-CD2 4.38Å; V93-L105 HydrophobicContact CB-CD2 4.29Å; V93-L105 HydrophobicContact CG1-CD2 4.08Å; V93-L105 HydrophobicContact CG2-CD2 3.92Å; V93-L119 HydrophobicContact CB-CD2 3.76Å; V93-L119 HydrophobicContact CB-CG 4.15Å; V93-L119 HydrophobicContact CG1-CD2 3.81Å; V93-L119 HydrophobicContact CG1-CG 3.92Å; V93-L119 HydrophobicContact CG2-CD2 4.39Å; V93-L119 HydrophobicContact CG2-CG 4.4Å; V93-E120 HydrophobicContact CG2-CG 3.48Å; V93-E120 VanDerWaalsContact CG2-CG 3.48Å; V93-I123 HydrophobicContact CG1-CG1 4Å | ||
| 94 | N | 92.7 | Very high | 92.6 | Very high | 51 Ų | 51 | 38.1 Ų | 38.1 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | trans | -91.8 | 104.4 | 166.5 | -177.4 | -7.4 | 0 | 0 | 0 | 110 | G96 A97 | N94-G96 PolarHBondContact O-N 3.17Å; N94-G96 VanDerWaalsContact O-N 3.12Å; N94-G96 WeakPolarHBondContact OD1-CA 3.37Å; N94-G96 PolarHBondContact OD1-N 2.84Å; N94-A97 HydrophobicContact CB-CB 4.12Å; N94-A97 WeakPolarHBondContact O-CB 3.27Å; N94-A97 PolarHBondContact O-N 3.19Å | ||
| 95 | R | 91.3 | Very high | 92.6 | Very high | 59 Ų | 59 | 39.3 Ų | 39.3 | 22% | 0.223 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.3 | 178.8 | -65.4 | -177.2 | -58.3 | 164.7 | 13.7 | 114 | L119 W225 N331 Y333 | R95-L119 HydrophobicContact CG-CD1 4.09Å; R95-L119 HydrophobicContact CG-CD2 3.83Å; R95-W225 HydrophobicContact CB-CZ2 4.27Å; R95-W225 HydrophobicContact CG-CZ2 4.24Å; R95-W225 PolarHBondContact O-NE1 2.64Å; R95-N331 VanDerWaalsContact CZ-ND2 3.25Å; R95-N331 PolarHBondContact NH1-ND2 3.12Å; R95-N331 VanDerWaalsContact NH1-ND2 3.17Å; R95-N331 PolarHBondContact NH2-ND2 2.81Å; R95-Y333 PolarHBondContact NH1-OH 2.83Å |
| 96 | G | 93 | Very high | 92.9 | Very high | 37 Ų | 37 | 32 Ų | 32 | 38% | 0.381 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 3.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N94 K222 | N94-G96 PolarHBondContact O-N 3.17Å; N94-G96 VanDerWaalsContact O-N 3.12Å; N94-G96 WeakPolarHBondContact OD1-CA 3.37Å; N94-G96 PolarHBondContact OD1-N 2.84Å; G96-K222 VanDerWaalsContact O-CD 3.29Å; G96-K222 WeakPolarHBondContact O-CD 3.23Å; G96-K222 WeakPolarHBondContact O-CE 3.45Å; G96-K222 PolarHBondContact O-NZ 3.46Å |
| 97 | A | 94.9 | Very high | 93.2 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 11% | 0.107 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -71.1 | 156.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N94 R101 L102 | N94-A97 HydrophobicContact CB-CB 4.12Å; N94-A97 WeakPolarHBondContact O-CB 3.27Å; N94-A97 PolarHBondContact O-N 3.19Å; A97-R101 HydrophobicContact CB-CB 4.14Å; A97-R101 HydrophobicContact CB-CG 4.03Å; A97-L102 HydrophobicContact CB-CD2 4.19Å; A97-L102 HydrophobicContact CB-CG 4.14Å |
| 98 | S | 96.8 | Very high | 93.6 | Very high | 22 Ų | 22 | 37.5 Ų | 37.5 | 15% | 0.154 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -70.8 | 161.3 | 172.4 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | I100 R101 L102 E221 | S98-I100 VanDerWaalsContact C-N 3.29Å; S98-I100 PolarHBondContact O-N 3.12Å; S98-I100 WeakPolarHBondContact OG-CG2 3.23Å; S98-R101 PolarHBondContact O-N 2.87Å; S98-L102 WeakPolarHBondContact O-CG 3.25Å; S98-L102 PolarHBondContact O-N 2.94Å; S98-E221 CarbonylContact C-O 3.56Å; S98-E221 VanDerWaalsContact CA-O 3.25Å; S98-E221 WeakPolarHBondContact CA-O 3.4Å |
| 99 | I | 94.4 | Very high | 94 | Very high | 16 Ų | 16 | 37.5 Ų | 37.5 | 8% | 0.082 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.8 | -43.4 | 176.1 | -66.2 | -57.9 | 0 | 0 | 0 | 111.3 | R101 L102 G103 F127 P217 E221 I223 | I99-R101 VanDerWaalsContact C-N 3.31Å; I99-R101 PolarHBondContact O-N 3.25Å; I99-L102 PolarHBondContact O-N 2.91Å; I99-G103 PolarHBondContact O-N 3.43Å; I99-F127 HydrophobicContact CG2-CE1 4.12Å; I99-F127 HydrophobicContact CG2-CZ 3.87Å; I99-F127 WeakPolarHBondContact O-CZ 3.14Å; I99-P217 HydrophobicContact CB-CG 4.28Å; I99-P217 HydrophobicContact CG1-CB 3.83Å; I99-P217 HydrophobicContact CG1-CG 3.91Å; I99-P217 HydrophobicContact CG2-CG 3.77Å; I99-E221 WeakPolarHBondContact CG1-O 3.28Å; I99-E221 PolarHBondContact N-O 2.63Å; I99-I223 HydrophobicContact CD1-CG1 3.78Å |
| 100 | I | 94.9 | Very high | 94.1 | Very high | 74 Ų | 74 | 36.8 Ų | 36.8 | 38% | 0.379 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56.7 | -44.1 | 178.3 | -170.6 | 168.2 | 0 | 0 | 0 | 112.4 | S98 G103 E104 M219 | S98-I100 VanDerWaalsContact C-N 3.29Å; S98-I100 PolarHBondContact O-N 3.12Å; S98-I100 WeakPolarHBondContact OG-CG2 3.23Å; I100-G103 PolarHBondContact O-N 2.83Å; I100-E104 PolarHBondContact O-N 3.24Å; I100-E104 VanDerWaalsContact O-N 3.12Å; I100-M219 HydrophobicContact CD1-SD 4.42Å; I100-M219 WeakPolarHBondContact CG2-O 3.04Å; I100-M219 PolarHBondContact N-O 3.16Å; I100-M219 VanDerWaalsContact N-O 3.15Å |
| 101 | R | 96.1 | Very high | 94.1 | Very high | 87 Ų | 87 | 40.3 Ų | 40.3 | 33% | 0.328 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.2 | -35.4 | -180 | -177.7 | 57.7 | 175.8 | 160.5 | 4.3 | 112.4 | A97 S98 I99 G103 E104 L105 | A97-R101 HydrophobicContact CB-CB 4.14Å; A97-R101 HydrophobicContact CB-CG 4.03Å; S98-R101 PolarHBondContact O-N 2.87Å; I99-R101 VanDerWaalsContact C-N 3.31Å; I99-R101 PolarHBondContact O-N 3.25Å; R101-G103 VanDerWaalsContact C-N 3.3Å; R101-E104 WeakPolarHBondContact CD-OE2 3.48Å; R101-E104 IonicContact CZ-OE2 3.67Å; R101-E104 IonicContact NE-OE2 3.86Å; R101-E104 IonicContact NH1-OE2 2.7Å; R101-E104 PolarHBondContact NH1-OE2 3.01Å; R101-L105 PolarHBondContact O-N 3.47Å |
| 102 | L | 96.6 | Very high | 94 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.6 | -31.8 | 172.2 | -67.1 | 172.8 | 0 | 0 | 0 | 111.6 | V93 A97 S98 I99 L105 V106 I123 F127 I223 | V93-L102 HydrophobicContact CG1-CD2 4.38Å; A97-L102 HydrophobicContact CB-CD2 4.19Å; A97-L102 HydrophobicContact CB-CG 4.14Å; S98-L102 WeakPolarHBondContact O-CG 3.25Å; S98-L102 PolarHBondContact O-N 2.94Å; I99-L102 PolarHBondContact O-N 2.91Å; L102-L105 HydrophobicContact CD2-CD2 4.21Å; L102-L105 WeakPolarHBondContact O-CB 3.02Å; L102-L105 PolarHBondContact O-N 2.72Å; L102-V106 WeakPolarHBondContact O-CG2 3.27Å; L102-V106 PolarHBondContact O-N 3.11Å; L102-I123 HydrophobicContact CB-CG2 4.27Å; L102-I123 HydrophobicContact CD1-CD1 4.25Å; L102-I123 HydrophobicContact CD2-CD1 4.42Å; L102-I123 HydrophobicContact CD2-CG2 4.33Å; L102-F127 HydrophobicContact CB-CE2 3.91Å; L102-F127 HydrophobicContact CB-CZ 4.09Å; L102-I223 HydrophobicContact CD1-CD1 3.54Å; L102-I223 HydrophobicContact CD1-CG1 4.1Å |
| 103 | G | 95.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 8% | 0.082 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.1 | -40.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I99 I100 R101 V106 K107 F127 | I99-G103 PolarHBondContact O-N 3.43Å; I100-G103 PolarHBondContact O-N 2.83Å; R101-G103 VanDerWaalsContact C-N 3.3Å; G103-V106 PolarHBondContact O-N 2.83Å; G103-K107 WeakPolarHBondContact O-CG 3.36Å; G103-K107 PolarHBondContact O-N 3.46Å; G103-F127 VanDerWaalsContact N-CZ 3.28Å |
| 104 | E | 94.9 | Very high | 94.1 | Very high | 87 Ų | 87 | 40.6 Ų | 40.6 | 41% | 0.407 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.5 | -46.3 | 171.5 | -67.8 | 171.4 | 172.7 | 0 | 0 | 111.7 | I100 R101 V106 K107 T108 | I100-E104 PolarHBondContact O-N 3.24Å; I100-E104 VanDerWaalsContact O-N 3.12Å; R101-E104 WeakPolarHBondContact CD-OE2 3.48Å; R101-E104 IonicContact CZ-OE2 3.67Å; R101-E104 IonicContact NE-OE2 3.86Å; R101-E104 IonicContact NH1-OE2 2.7Å; R101-E104 PolarHBondContact NH1-OE2 3.01Å; E104-V106 VanDerWaalsContact C-N 3.34Å; E104-V106 PolarHBondContact O-N 3.4Å; E104-K107 WeakPolarHBondContact O-CB 3.5Å; E104-K107 PolarHBondContact O-N 2.92Å; E104-T108 PolarHBondContact O-N 3.14Å; E104-T108 PolarHBondContact O-OG1 3.29Å |
| 105 | L | 94.8 | Very high | 94.2 | Very high | 26 Ų | 26 | 39.6 Ų | 39.6 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.2 | -44.7 | 175.3 | 166.2 | 69.8 | 0 | 0 | 0 | 111.8 | F91 V93 R101 L102 K107 T108 I109 | F91-L105 HydrophobicContact CB-CD1 3.73Å; V93-L105 HydrophobicContact CB-CD2 4.29Å; V93-L105 HydrophobicContact CG1-CD2 4.08Å; V93-L105 HydrophobicContact CG2-CD2 3.92Å; R101-L105 PolarHBondContact O-N 3.47Å; L102-L105 HydrophobicContact CD2-CD2 4.21Å; L102-L105 WeakPolarHBondContact O-CB 3.02Å; L102-L105 PolarHBondContact O-N 2.72Å; L105-K107 PolarHBondContact O-N 3.27Å; L105-T108 WeakPolarHBondContact O-CB 3.39Å; L105-T108 PolarHBondContact O-N 2.99Å; L105-I109 HydrophobicContact CD1-CD1 4.14Å; L105-I109 HydrophobicContact CD1-CG1 4.35Å; L105-I109 HydrophobicContact CG-CD1 4.05Å; L105-I109 WeakPolarHBondContact O-CG1 2.96Å; L105-I109 PolarHBondContact O-N 3.4Å |
| 106 | V | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 177.5 | 163 | 0 | 0 | 0 | 0 | 111.5 | L102 G103 E104 T108 I109 M110 I123 L124 F127 | L102-V106 WeakPolarHBondContact O-CG2 3.27Å; L102-V106 PolarHBondContact O-N 3.11Å; G103-V106 PolarHBondContact O-N 2.83Å; E104-V106 VanDerWaalsContact C-N 3.34Å; E104-V106 PolarHBondContact O-N 3.4Å; V106-T108 VanDerWaalsContact C-N 3.29Å; V106-T108 PolarHBondContact O-N 3Å; V106-I109 PolarHBondContact O-N 3.12Å; V106-M110 HydrophobicContact CG1-CG 4.34Å; V106-M110 HydrophobicContact CG1-SD 3.66Å; V106-M110 VanDerWaalsContact O-CG 3.27Å; V106-M110 WeakPolarHBondContact O-CG 3.4Å; V106-M110 PolarHBondContact O-N 3.45Å; V106-I123 HydrophobicContact CG2-CG2 3.76Å; V106-L124 HydrophobicContact CG1-CD1 3.71Å; V106-F127 HydrophobicContact CB-CD2 4.31Å; V106-F127 HydrophobicContact CB-CG 4.39Å; V106-F127 HydrophobicContact CG1-CB 4.06Å; V106-F127 HydrophobicContact CG1-CG 4.27Å; V106-F127 HydrophobicContact CG2-CB 4.39Å; V106-F127 HydrophobicContact CG2-CD2 3.56Å; V106-F127 HydrophobicContact CG2-CE2 4.02Å; V106-F127 HydrophobicContact CG2-CG 4.06Å |
| 107 | K | 93.8 | Very high | 94.6 | Very high | 98 Ų | 98 | 35.5 Ų | 35.5 | 43% | 0.426 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.2 | -44.6 | 173.8 | -69.6 | 174.4 | -178.2 | -177 | 0 | 111 | G103 E104 L105 M110 L111 | G103-K107 WeakPolarHBondContact O-CG 3.36Å; G103-K107 PolarHBondContact O-N 3.46Å; E104-K107 WeakPolarHBondContact O-CB 3.5Å; E104-K107 PolarHBondContact O-N 2.92Å; L105-K107 PolarHBondContact O-N 3.27Å; K107-M110 PolarHBondContact O-N 3.07Å; K107-L111 WeakPolarHBondContact O-CB 3.38Å; K107-L111 VanDerWaalsContact O-CG 3.23Å; K107-L111 WeakPolarHBondContact O-CG 3.34Å; K107-L111 PolarHBondContact O-N 2.97Å |
| 108 | T | 93.6 | Very high | 94.7 | Very high | 58 Ų | 58 | 34.9 Ų | 34.9 | 36% | 0.356 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62 | -43.4 | 176.3 | -52.6 | 0 | 0 | 0 | 0 | 112.3 | F14 F91 E104 L105 V106 M110 L111 A112 | F14-T108 HydrophobicContact CD2-CG2 3.68Å; F14-T108 HydrophobicContact CE2-CG2 3.71Å; F91-T108 HydrophobicContact CD1-CG2 4.33Å; F91-T108 HydrophobicContact CE1-CG2 4.17Å; E104-T108 PolarHBondContact O-N 3.14Å; E104-T108 PolarHBondContact O-OG1 3.29Å; L105-T108 WeakPolarHBondContact O-CB 3.39Å; L105-T108 PolarHBondContact O-N 2.99Å; V106-T108 VanDerWaalsContact C-N 3.29Å; V106-T108 PolarHBondContact O-N 3Å; T108-M110 PolarHBondContact O-N 3.15Å; T108-L111 PolarHBondContact O-N 2.92Å; T108-A112 WeakPolarHBondContact O-CB 3.38Å; T108-A112 PolarHBondContact O-N 2.85Å |
| 109 | I | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.5 | -49.5 | 176.6 | -70.3 | 166.1 | 0 | 0 | 0 | 110.7 | L81 F91 L105 V106 A112 S113 I116 E120 L124 | L81-I109 HydrophobicContact CD1-CG2 4.11Å; F91-I109 HydrophobicContact CB-CD1 4.45Å; F91-I109 HydrophobicContact CB-CG1 4.16Å; F91-I109 HydrophobicContact CD1-CG1 3.59Å; F91-I109 HydrophobicContact CD2-CG1 3.82Å; F91-I109 HydrophobicContact CE1-CB 4.29Å; F91-I109 HydrophobicContact CE1-CG1 3.82Å; F91-I109 HydrophobicContact CE2-CG1 4.03Å; F91-I109 HydrophobicContact CG-CD1 4.34Å; F91-I109 HydrophobicContact CG-CG1 3.59Å; F91-I109 HydrophobicContact CZ-CB 4.31Å; F91-I109 HydrophobicContact CZ-CG1 4.03Å; L105-I109 HydrophobicContact CD1-CD1 4.14Å; L105-I109 HydrophobicContact CD1-CG1 4.35Å; L105-I109 HydrophobicContact CG-CD1 4.05Å; L105-I109 WeakPolarHBondContact O-CG1 2.96Å; L105-I109 PolarHBondContact O-N 3.4Å; V106-I109 PolarHBondContact O-N 3.12Å; I109-A112 PolarHBondContact O-N 3.21Å; I109-S113 PolarHBondContact O-N 3.13Å; I109-I116 HydrophobicContact CG2-CG2 3.89Å; I109-E120 HydrophobicContact CD1-CB 4.19Å; I109-E120 HydrophobicContact CD1-CG 4.42Å; I109-L124 HydrophobicContact CG2-CD2 4.12Å |
| 110 | M | 93.8 | Very high | 94.9 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 12% | 0.118 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.8 | -41.7 | -177.3 | -63.5 | 171 | 68.4 | 0 | 0 | 111.8 | L56 P57 Y77 V106 K107 T108 S113 L124 L128 | L56-M110 HydrophobicContact CD2-CB 3.7Å; L56-M110 HydrophobicContact CD2-CE 4.1Å; P57-M110 HydrophobicContact CG-CE 3.92Å; Y77-M110 HydrophobicContact CE1-CG 4.44Å; V106-M110 HydrophobicContact CG1-CG 4.34Å; V106-M110 HydrophobicContact CG1-SD 3.66Å; V106-M110 VanDerWaalsContact O-CG 3.27Å; V106-M110 WeakPolarHBondContact O-CG 3.4Å; V106-M110 PolarHBondContact O-N 3.45Å; K107-M110 PolarHBondContact O-N 3.07Å; T108-M110 PolarHBondContact O-N 3.15Å; M110-S113 PolarHBondContact O-OG 2.91Å; M110-S113 VanDerWaalsContact O-OG 3.09Å; M110-L124 HydrophobicContact CG-CD1 3.91Å; M110-L124 HydrophobicContact SD-CD1 4.1Å; M110-L128 HydrophobicContact CE-CD2 4.35Å |
| 111 | L | 92 | Very high | 95 | Very high | 90 Ų | 90 | 30.2 Ų | 30.2 | 47% | 0.471 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -71.8 | -35.5 | 179.6 | -70 | 172.4 | 0 | 0 | 0 | 113.5 | K107 T108 | K107-L111 WeakPolarHBondContact O-CB 3.38Å; K107-L111 VanDerWaalsContact O-CG 3.23Å; K107-L111 WeakPolarHBondContact O-CG 3.34Å; K107-L111 PolarHBondContact O-N 2.97Å; T108-L111 PolarHBondContact O-N 2.92Å |
| 112 | A | 90.9 | Very high | 95.1 | Very high | 30 Ų | 30 | 26 Ų | 26 | 25% | 0.248 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -77.9 | -30.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F14 F91 T108 I109 L114 | F14-A112 HydrophobicContact CE2-CB 4.37Å; F14-A112 HydrophobicContact CZ-CB 4.44Å; F91-A112 HydrophobicContact CE1-CB 3.93Å; F91-A112 HydrophobicContact CZ-CB 3.91Å; T108-A112 WeakPolarHBondContact O-CB 3.38Å; T108-A112 PolarHBondContact O-N 2.85Å; I109-A112 PolarHBondContact O-N 3.21Å; A112-L114 HydrophobicContact CB-CD1 4.29Å; A112-L114 HydrophobicContact CB-CG 4.15Å; A112-L114 PolarHBondContact O-N 2.84Å |
| 113 | S | 93.1 | Very high | 95.2 | Very high | 24 Ų | 24 | 26 Ų | 26 | 17% | 0.168 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 40 | -179.9 | -68.2 | 0 | 0 | 0 | 0 | 113.4 | K54 I109 M110 | K54-S113 PolarHBondContact N-OG 3.33Å; I109-S113 PolarHBondContact O-N 3.13Å; M110-S113 PolarHBondContact O-OG 2.91Å; M110-S113 VanDerWaalsContact O-OG 3.09Å |
| 114 | L | 93.2 | Very high | 95.3 | Very high | 47 Ų | 47 | 25.6 Ų | 25.6 | 25% | 0.246 | 14% | 0.137 | C | C | . | . | trans | -99.4 | 158.8 | 179.4 | -63.1 | 175.8 | 0 | 0 | 0 | 112.2 | F14 F90 F91 A112 | F14-L114 HydrophobicContact CD1-CD1 4.17Å; F14-L114 HydrophobicContact CE1-CD1 3.26Å; F14-L114 HydrophobicContact CZ-CD1 3.71Å; F90-L114 HydrophobicContact CB-CD1 4.29Å; F90-L114 HydrophobicContact CD1-CD1 4.3Å; F90-L114 HydrophobicContact CD2-CB 4.02Å; F90-L114 HydrophobicContact CD2-CD1 4.37Å; F90-L114 HydrophobicContact CE2-CB 4.44Å; F90-L114 HydrophobicContact CG-CB 4.49Å; F90-L114 HydrophobicContact CG-CD1 4.09Å; F91-L114 HydrophobicContact CE2-CB 3.98Å; F91-L114 HydrophobicContact CZ-CB 3.88Å; F91-L114 HydrophobicContact CZ-CD1 4.35Å; F91-L114 HydrophobicContact CZ-CG 4.46Å; A112-L114 HydrophobicContact CB-CD1 4.29Å; A112-L114 HydrophobicContact CB-CG 4.15Å; A112-L114 PolarHBondContact O-N 2.84Å | ||
| 115 | P | 95.1 | Very high | 95.4 | Very high | 29 Ų | 29 | 21.4 Ų | 21.4 | 19% | 0.188 | 12% | 0.118 | C | C | . | . | trans | -52.6 | 136.9 | 174.3 | -28 | 35.8 | 0 | 0 | 0 | 115.2 | L81 N84 F90 | L81-P115 WeakPolarHBondContact O-CA 3.38Å; N84-P115 HydrophobicContact CB-CB 3.73Å; N84-P115 PolarHBondContact ND2-O 2.98Å; F90-P115 WeakPolarHBondContact CD2-O 3.4Å; F90-P115 HydrophobicContact CE2-CB 4.37Å | ||
| 116 | I | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | B | Isolated β-bridge | trans | -123.2 | 164.3 | -176.9 | 51.7 | 163.6 | 0 | 0 | 0 | 111.9 | L81 E82 Y83 N84 F91 I109 E120 A121 L124 L170 | L81-I116 HydrophobicContact CB-CD1 4.25Å; L81-I116 HydrophobicContact CB-CG1 3.98Å; L81-I116 HydrophobicContact CD1-CD1 3.75Å; L81-I116 HydrophobicContact CD1-CG1 4.26Å; E82-I116 PolarHBondContact O-N 2.95Å; E82-I116 VanDerWaalsContact O-N 3.11Å; Y83-I116 CarbonylContact C-O 3.53Å; Y83-I116 WeakPolarHBondContact CA-O 3.15Å; N84-I116 PolarHBondContact N-O 3.25Å; F91-I116 HydrophobicContact CD2-CG2 3.87Å; F91-I116 HydrophobicContact CE2-CG2 3.74Å; I109-I116 HydrophobicContact CG2-CG2 3.89Å; I116-E120 HydrophobicContact CB-CB 3.78Å; I116-E120 HydrophobicContact CG2-CB 3.89Å; I116-E120 HydrophobicContact CG2-CG 4.48Å; I116-A121 HydrophobicContact CD1-CB 3.94Å; I116-L124 HydrophobicContact CD1-CD2 4.11Å; I116-L170 HydrophobicContact CD1-CD1 3.71Å; I116-L170 HydrophobicContact CG1-CD1 3.62Å |
| 117 | K | 96 | Very high | 95.5 | Very high | 10 Ų | 10 | 21.2 Ų | 21.2 | 4% | 0.043 | 12% | 0.116 | C | C | . | . | trans | -109.9 | 179 | 174.5 | -60.3 | -175.5 | 179.1 | 170.9 | 0 | 110.7 | F7 N84 L119 E120 A121 | F7-K117 VanDerWaalsContact CD1-NZ 3.32Å; N84-K117 HydrophobicContact CB-CG 3.85Å; N84-K117 WeakPolarHBondContact O-CE 3.26Å; K117-L119 VanDerWaalsContact C-N 3.31Å; K117-L119 PolarHBondContact O-N 3.03Å; K117-E120 WeakPolarHBondContact CA-OE2 3.4Å; K117-E120 WeakPolarHBondContact CB-OE2 3.32Å; K117-E120 PolarHBondContact N-OE2 3.38Å; K117-E120 PolarHBondContact O-N 2.66Å; K117-A121 WeakPolarHBondContact O-CB 3.21Å; K117-A121 PolarHBondContact O-N 2.78Å | ||
| 118 | C | 97 | Very high | 95.6 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.007 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -53.9 | -38 | -175.7 | 59 | 0 | 0 | 0 | 0 | 115.1 | T122 V154 L170 Y333 | C118-T122 WeakPolarHBondContact O-CB 3.26Å; C118-T122 PolarHBondContact O-N 3.18Å; C118-T122 PolarHBondContact O-OG1 2.81Å; C118-V154 HydrophobicContact CB-CG1 4.32Å; C118-L170 WeakPolarHBondContact CB-O 3.13Å; C118-Y333 WeakPolarHBondContact SG-CB 3.5Å |
| 119 | L | 96.7 | Very high | 95.7 | Very high | 13 Ų | 13 | 14.5 Ų | 14.5 | 7% | 0.068 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -72.6 | -46.3 | 179.4 | -180 | 61.7 | 0 | 0 | 0 | 111.9 | V93 R95 K117 A121 T122 I123 V154 W225 Y333 | V93-L119 HydrophobicContact CB-CD2 3.76Å; V93-L119 HydrophobicContact CB-CG 4.15Å; V93-L119 HydrophobicContact CG1-CD2 3.81Å; V93-L119 HydrophobicContact CG1-CG 3.92Å; V93-L119 HydrophobicContact CG2-CD2 4.39Å; V93-L119 HydrophobicContact CG2-CG 4.4Å; R95-L119 HydrophobicContact CG-CD1 4.09Å; R95-L119 HydrophobicContact CG-CD2 3.83Å; K117-L119 VanDerWaalsContact C-N 3.31Å; K117-L119 PolarHBondContact O-N 3.03Å; L119-A121 VanDerWaalsContact C-N 3.3Å; L119-A121 PolarHBondContact O-N 2.8Å; L119-T122 PolarHBondContact O-N 2.91Å; L119-I123 WeakPolarHBondContact O-CG1 3.28Å; L119-I123 PolarHBondContact O-N 2.77Å; L119-V154 HydrophobicContact CB-CG1 4.05Å; L119-V154 HydrophobicContact CD1-CG1 4.1Å; L119-W225 HydrophobicContact CD1-CH2 3.76Å; L119-W225 HydrophobicContact CD1-CZ2 4.46Å; L119-W225 HydrophobicContact CD1-CZ3 4.38Å; L119-Y333 HydrophobicContact CB-CD2 4.29Å; L119-Y333 HydrophobicContact CD1-CE2 4.46Å; L119-Y333 HydrophobicContact CD2-CD2 4.24Å; L119-Y333 HydrophobicContact CD2-CE2 4.05Å |
| 120 | E | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.9 | -44.6 | 175 | -69.2 | 148 | 135.6 | 0 | 0 | 110.2 | F91 V93 I109 I116 K117 T122 I123 L124 | F91-E120 HydrophobicContact CB-CG 4.29Å; F91-E120 VanDerWaalsContact CB-OE1 3.28Å; F91-E120 WeakPolarHBondContact CB-OE1 3.46Å; F91-E120 WeakPolarHBondContact CD2-OE1 3.39Å; F91-E120 PolarHBondContact N-OE1 3.08Å; F91-E120 VanDerWaalsContact O-OE1 3.13Å; V93-E120 HydrophobicContact CG2-CG 3.48Å; V93-E120 VanDerWaalsContact CG2-CG 3.48Å; I109-E120 HydrophobicContact CD1-CB 4.19Å; I109-E120 HydrophobicContact CD1-CG 4.42Å; I116-E120 HydrophobicContact CB-CB 3.78Å; I116-E120 HydrophobicContact CG2-CB 3.89Å; I116-E120 HydrophobicContact CG2-CG 4.48Å; K117-E120 WeakPolarHBondContact CA-OE2 3.4Å; K117-E120 WeakPolarHBondContact CB-OE2 3.32Å; K117-E120 PolarHBondContact N-OE2 3.38Å; K117-E120 PolarHBondContact O-N 2.66Å; E120-T122 PolarHBondContact O-N 2.85Å; E120-I123 PolarHBondContact O-N 2.93Å; E120-L124 WeakPolarHBondContact O-CB 3.13Å; E120-L124 PolarHBondContact O-N 2.93Å |
| 121 | A | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L78 I116 K117 L119 L124 A125 L170 | L78-A121 HydrophobicContact CD2-CB 4.47Å; I116-A121 HydrophobicContact CD1-CB 3.94Å; K117-A121 WeakPolarHBondContact O-CB 3.21Å; K117-A121 PolarHBondContact O-N 2.78Å; L119-A121 VanDerWaalsContact C-N 3.3Å; L119-A121 PolarHBondContact O-N 2.8Å; A121-L124 PolarHBondContact O-N 3.16Å; A121-A125 WeakPolarHBondContact O-CB 3.46Å; A121-A125 PolarHBondContact O-N 3.1Å; A121-L170 HydrophobicContact CB-CB 3.77Å; A121-L170 HydrophobicContact CB-CD1 3.85Å; A121-L170 HydrophobicContact CB-CG 3.75Å |
| 122 | T | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 176.7 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | C118 L119 E120 I126 T139 V154 L156 | C118-T122 WeakPolarHBondContact O-CB 3.26Å; C118-T122 PolarHBondContact O-N 3.18Å; C118-T122 PolarHBondContact O-OG1 2.81Å; L119-T122 PolarHBondContact O-N 2.91Å; E120-T122 PolarHBondContact O-N 2.85Å; T122-I126 HydrophobicContact CG2-CD1 4.34Å; T122-I126 WeakPolarHBondContact O-CD1 3.16Å; T122-I126 VanDerWaalsContact O-CG1 3.26Å; T122-I126 WeakPolarHBondContact O-CG1 2.95Å; T122-I126 PolarHBondContact O-N 2.84Å; T122-I126 VanDerWaalsContact O-N 3.1Å; T122-T139 HydrophobicContact CG2-CG2 4.24Å; T122-V154 HydrophobicContact CG2-CG2 4.16Å; T122-V154 PolarHBondContact OG1-O 2.9Å; T122-L156 HydrophobicContact CG2-CB 4.23Å; T122-L156 HydrophobicContact CG2-CD1 4.46Å |
| 123 | I | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.2 | -49.1 | 176.5 | -63.7 | -57.1 | 0 | 0 | 0 | 110.5 | V93 L102 V106 L119 E120 A125 I126 F127 I223 W225 | V93-I123 HydrophobicContact CG1-CG1 4Å; L102-I123 HydrophobicContact CB-CG2 4.27Å; L102-I123 HydrophobicContact CD1-CD1 4.25Å; L102-I123 HydrophobicContact CD2-CD1 4.42Å; L102-I123 HydrophobicContact CD2-CG2 4.33Å; V106-I123 HydrophobicContact CG2-CG2 3.76Å; L119-I123 WeakPolarHBondContact O-CG1 3.28Å; L119-I123 PolarHBondContact O-N 2.77Å; E120-I123 PolarHBondContact O-N 2.93Å; I123-A125 PolarHBondContact O-N 2.97Å; I123-I126 HydrophobicContact CD1-CD1 4.39Å; I123-I126 WeakPolarHBondContact O-CB 3.39Å; I123-I126 PolarHBondContact O-N 3.14Å; I123-I126 VanDerWaalsContact O-N 3.16Å; I123-F127 HydrophobicContact CG2-CD2 4.34Å; I123-F127 HydrophobicContact CG2-CE2 4.21Å; I123-F127 WeakPolarHBondContact O-CD2 3.49Å; I123-F127 PolarHBondContact O-N 3.45Å; I123-I223 HydrophobicContact CD1-CD1 3.3Å; I123-W225 HydrophobicContact CD1-CH2 3.94Å; I123-W225 HydrophobicContact CD1-CZ2 3.84Å |
| 124 | L | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -56.8 | -49 | 177.6 | 177.2 | 58.1 | 0 | 0 | 0 | 111.1 | Y77 L78 L81 V106 I109 M110 I116 E120 A121 I126 F127 L128 | Y77-L124 HydrophobicContact CD1-CD2 4.32Å; Y77-L124 HydrophobicContact CE1-CD1 4.39Å; Y77-L124 HydrophobicContact CE1-CD2 3.95Å; L78-L124 HydrophobicContact CD2-CB 4.17Å; L78-L124 HydrophobicContact CD2-CD2 3.54Å; L78-L124 HydrophobicContact CD2-CG 3.8Å; L81-L124 HydrophobicContact CD1-CD2 3.53Å; V106-L124 HydrophobicContact CG1-CD1 3.71Å; I109-L124 HydrophobicContact CG2-CD2 4.12Å; M110-L124 HydrophobicContact CG-CD1 3.91Å; M110-L124 HydrophobicContact SD-CD1 4.1Å; I116-L124 HydrophobicContact CD1-CD2 4.11Å; E120-L124 WeakPolarHBondContact O-CB 3.13Å; E120-L124 PolarHBondContact O-N 2.93Å; A121-L124 PolarHBondContact O-N 3.16Å; L124-I126 VanDerWaalsContact C-N 3.27Å; L124-I126 PolarHBondContact O-N 3.04Å; L124-F127 PolarHBondContact O-N 3.2Å; L124-L128 HydrophobicContact CD1-CD1 3.96Å; L124-L128 HydrophobicContact CD1-CD2 4.16Å; L124-L128 HydrophobicContact CD1-CG 3.93Å; L124-L128 HydrophobicContact CD2-CD1 4.49Å; L124-L128 HydrophobicContact CG-CD1 3.81Å; L124-L128 HydrophobicContact CG-CG 4.19Å; L124-L128 WeakPolarHBondContact O-CG 3.27Å; L124-L128 PolarHBondContact O-N 3.22Å |
| 125 | A | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -57.3 | -36.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | L78 A121 I123 F127 L128 T129 L156 L168 | L78-A125 HydrophobicContact CD1-CB 4.14Å; A121-A125 WeakPolarHBondContact O-CB 3.46Å; A121-A125 PolarHBondContact O-N 3.1Å; I123-A125 PolarHBondContact O-N 2.97Å; A125-F127 VanDerWaalsContact C-N 3.32Å; A125-F127 PolarHBondContact O-N 3.42Å; A125-L128 PolarHBondContact O-N 3.26Å; A125-T129 WeakPolarHBondContact O-CB 3.37Å; A125-T129 VanDerWaalsContact O-CG2 3.3Å; A125-T129 WeakPolarHBondContact O-CG2 3.06Å; A125-T129 PolarHBondContact O-N 3.36Å; A125-T129 PolarHBondContact O-OG1 3.43Å; A125-L156 HydrophobicContact CB-CB 4.48Å; A125-L156 HydrophobicContact CB-CD2 3.74Å; A125-L168 HydrophobicContact CB-CB 4.19Å; A125-L168 HydrophobicContact CB-CD1 4.15Å |
| 126 | I | 97.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.015 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.3 | -45.3 | 175 | -71.9 | 162.6 | 0 | 0 | 0 | 110.5 | T122 I123 L124 T129 Q130 R137 L156 I213 I223 | T122-I126 HydrophobicContact CG2-CD1 4.34Å; T122-I126 WeakPolarHBondContact O-CD1 3.16Å; T122-I126 VanDerWaalsContact O-CG1 3.26Å; T122-I126 WeakPolarHBondContact O-CG1 2.95Å; T122-I126 PolarHBondContact O-N 2.84Å; T122-I126 VanDerWaalsContact O-N 3.1Å; I123-I126 HydrophobicContact CD1-CD1 4.39Å; I123-I126 WeakPolarHBondContact O-CB 3.39Å; I123-I126 PolarHBondContact O-N 3.14Å; I123-I126 VanDerWaalsContact O-N 3.16Å; L124-I126 VanDerWaalsContact C-N 3.27Å; L124-I126 PolarHBondContact O-N 3.04Å; I126-T129 PolarHBondContact O-OG1 3.21Å; I126-Q130 PolarHBondContact O-N 2.67Å; I126-R137 PolarHBondContact O-NH1 3.34Å; I126-L156 HydrophobicContact CD1-CD1 4.11Å; I126-L156 HydrophobicContact CG1-CD1 3.53Å; I126-L156 HydrophobicContact CG1-CD2 3.97Å; I126-L156 HydrophobicContact CG1-CG 4.39Å; I126-I213 HydrophobicContact CD1-CD1 3.56Å; I126-I213 HydrophobicContact CG1-CD1 3.75Å; I126-I213 HydrophobicContact CG2-CD1 4.5Å; I126-I213 HydrophobicContact CG2-CG2 4.1Å; I126-I223 HydrophobicContact CD1-CD1 3.62Å; I126-I223 HydrophobicContact CD1-CG1 4.36Å |
| 127 | F | 95.8 | Very high | 95.4 | Very high | 19 Ų | 19 | 18.2 Ų | 18.2 | 8% | 0.083 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -73.1 | -38.9 | 179.9 | -78.9 | -91.9 | 0 | 0 | 0 | 112.6 | I99 L102 G103 V106 I123 L124 A125 T129 Q130 V313 | I99-F127 HydrophobicContact CG2-CE1 4.12Å; I99-F127 HydrophobicContact CG2-CZ 3.87Å; I99-F127 WeakPolarHBondContact O-CZ 3.14Å; L102-F127 HydrophobicContact CB-CE2 3.91Å; L102-F127 HydrophobicContact CB-CZ 4.09Å; G103-F127 VanDerWaalsContact N-CZ 3.28Å; V106-F127 HydrophobicContact CB-CD2 4.31Å; V106-F127 HydrophobicContact CB-CG 4.39Å; V106-F127 HydrophobicContact CG1-CB 4.06Å; V106-F127 HydrophobicContact CG1-CG 4.27Å; V106-F127 HydrophobicContact CG2-CB 4.39Å; V106-F127 HydrophobicContact CG2-CD2 3.56Å; V106-F127 HydrophobicContact CG2-CE2 4.02Å; V106-F127 HydrophobicContact CG2-CG 4.06Å; I123-F127 HydrophobicContact CG2-CD2 4.34Å; I123-F127 HydrophobicContact CG2-CE2 4.21Å; I123-F127 WeakPolarHBondContact O-CD2 3.49Å; I123-F127 PolarHBondContact O-N 3.45Å; L124-F127 PolarHBondContact O-N 3.2Å; A125-F127 VanDerWaalsContact C-N 3.32Å; A125-F127 PolarHBondContact O-N 3.42Å; F127-T129 PolarHBondContact O-N 3.41Å; F127-Q130 VanDerWaalsContact O-CB 3.25Å; F127-Q130 WeakPolarHBondContact O-CB 3.41Å; F127-Q130 PolarHBondContact O-N 3.14Å; F127-V313 HydrophobicContact CD1-CG2 4.19Å |
| 128 | L | 95.5 | Very high | 95.5 | Very high | 14 Ų | 14 | 17.8 Ų | 17.8 | 7% | 0.073 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -67 | -26.8 | 179.3 | -63.4 | -179 | 0 | 0 | 0 | 113.1 | P57 F59 V74 Y77 L78 M110 L124 A125 | P57-L128 HydrophobicContact CG-CD2 3.94Å; F59-L128 HydrophobicContact CD2-CB 4.12Å; F59-L128 HydrophobicContact CD2-CD2 4.04Å; F59-L128 HydrophobicContact CE2-CB 3.86Å; F59-L128 HydrophobicContact CE2-CD1 4.04Å; F59-L128 HydrophobicContact CE2-CD2 3.76Å; F59-L128 HydrophobicContact CE2-CG 4.06Å; V74-L128 HydrophobicContact CG1-CB 3.99Å; V74-L128 HydrophobicContact CG1-CD1 4.04Å; V74-L128 HydrophobicContact CG2-CB 4.37Å; Y77-L128 HydrophobicContact CD1-CD1 3.54Å; Y77-L128 HydrophobicContact CE1-CD1 4.07Å; Y77-L128 HydrophobicContact CG-CD1 4.5Å; L78-L128 HydrophobicContact CD2-CD1 4.47Å; M110-L128 HydrophobicContact CE-CD2 4.35Å; L124-L128 HydrophobicContact CD1-CD1 3.96Å; L124-L128 HydrophobicContact CD1-CD2 4.16Å; L124-L128 HydrophobicContact CD1-CG 3.93Å; L124-L128 HydrophobicContact CD2-CD1 4.49Å; L124-L128 HydrophobicContact CG-CD1 3.81Å; L124-L128 HydrophobicContact CG-CG 4.19Å; L124-L128 WeakPolarHBondContact O-CG 3.27Å; L124-L128 PolarHBondContact O-N 3.22Å; A125-L128 PolarHBondContact O-N 3.26Å |
| 129 | T | 95.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 5.1 | 178.2 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | F70 L71 V74 A125 I126 F127 Q132 R137 L168 H215 | F70-T129 HydrophobicContact CE1-CG2 3.94Å; F70-T129 HydrophobicContact CZ-CG2 4.43Å; L71-T129 HydrophobicContact CD2-CG2 4.39Å; V74-T129 HydrophobicContact CG1-CG2 4.33Å; V74-T129 HydrophobicContact CG2-CG2 4.28Å; A125-T129 WeakPolarHBondContact O-CB 3.37Å; A125-T129 VanDerWaalsContact O-CG2 3.3Å; A125-T129 WeakPolarHBondContact O-CG2 3.06Å; A125-T129 PolarHBondContact O-N 3.36Å; A125-T129 PolarHBondContact O-OG1 3.43Å; I126-T129 PolarHBondContact O-OG1 3.21Å; F127-T129 PolarHBondContact O-N 3.41Å; T129-Q132 PolarHBondContact O-N 2.89Å; T129-R137 WeakPolarHBondContact OG1-CD 3.44Å; T129-L168 HydrophobicContact CG2-CD1 3.68Å; T129-H215 PolarHBondContact O-CE1 3.27Å; T129-H215 PolarHBondContact O-ND1 3.45Å |
| 130 | Q | 92.6 | Very high | 95.6 | Very high | 43 Ų | 43 | 17.2 Ų | 17.2 | 20% | 0.201 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 143.8 | 177.9 | -167.6 | 172.5 | -38.5 | 0 | 0 | 110.9 | I126 F127 Q132 H215 | I126-Q130 PolarHBondContact O-N 2.67Å; F127-Q130 VanDerWaalsContact O-CB 3.25Å; F127-Q130 WeakPolarHBondContact O-CB 3.41Å; F127-Q130 PolarHBondContact O-N 3.14Å; Q130-Q132 VanDerWaalsContact C-N 3.25Å; Q130-Q132 PolarHBondContact O-N 2.73Å; Q130-H215 WeakPolarHBondContact CG-O 3.44Å; Q130-H215 PolarHBondContact NE2-O 3.25Å |
| 131 | G | 90 | Very high | 95.6 | Very high | 25 Ų | 25 | 17.7 Ų | 17.7 | 26% | 0.258 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -16.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V61 E133 H215 | V61-G131 WeakPolarHBondContact CG1-O 3.38Å; G131-E133 VanDerWaalsContact C-N 3.35Å; G131-E133 PolarHBondContact O-N 3.1Å; G131-H215 PolarHBondContact N-ND1 2.93Å |
| 132 | Q | 91.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 17.7 Ų | 17.7 | 3% | 0.028 | 9% | 0.087 | C | C | . | . | trans | -82.1 | 74.3 | 177.1 | -54.7 | -65 | -21.3 | 0 | 0 | 111.3 | F70 T129 Q130 Y134 L135 H215 | F70-Q132 HydrophobicContact CD1-CG 4.31Å; F70-Q132 HydrophobicContact CE1-CB 4.35Å; F70-Q132 HydrophobicContact CE1-CG 3.62Å; F70-Q132 HydrophobicContact CE2-CG 4.08Å; F70-Q132 HydrophobicContact CZ-CG 3.5Å; T129-Q132 PolarHBondContact O-N 2.89Å; Q130-Q132 VanDerWaalsContact C-N 3.25Å; Q130-Q132 PolarHBondContact O-N 2.73Å; Q132-Y134 HydrophobicContact CB-CE1 3.98Å; Q132-Y134 PolarHBondContact O-N 2.81Å; Q132-Y134 VanDerWaalsContact O-N 3.16Å; Q132-Y134 PolarHBondContact OE1-OH 2.73Å; Q132-L135 HydrophobicContact CB-CD1 4.06Å; Q132-L135 HydrophobicContact CB-CG 4.35Å; Q132-L135 WeakPolarHBondContact O-CB 3.3Å; Q132-L135 PolarHBondContact O-N 3.21Å; Q132-H215 PolarHBondContact N-ND1 2.98Å; Q132-H215 PolarHBondContact O-CE1 3.13Å | ||
| 133 | E | 90.8 | Very high | 95.5 | Very high | 107 Ų | 107 | 18 Ų | 18 | 50% | 0.5 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.7 | -169.3 | -65.1 | -173.1 | -176.5 | 0 | 0 | 115.2 | G131 L135 R216 | G131-E133 VanDerWaalsContact C-N 3.35Å; G131-E133 PolarHBondContact O-N 3.1Å; E133-L135 PolarHBondContact O-N 3.39Å; E133-R216 IonicContact OE1-CZ 3.01Å; E133-R216 IonicContact OE1-NH1 2.66Å; E133-R216 PolarHBondContact OE1-NH1 3.49Å; E133-R216 IonicContact OE1-NH2 2.72Å; E133-R216 PolarHBondContact OE1-NH2 2.87Å |
| 134 | Y | 91.3 | Very high | 95.3 | Very high | 70 Ų | 70 | 18 Ų | 18 | 28% | 0.275 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -9 | 171.5 | 62.6 | -94.5 | 0 | 0 | 0 | 112.8 | A67 Q132 S160 S161 | A67-Y134 HydrophobicContact CB-CD2 4.02Å; A67-Y134 HydrophobicContact CB-CE2 3.58Å; Q132-Y134 HydrophobicContact CB-CE1 3.98Å; Q132-Y134 PolarHBondContact O-N 2.81Å; Q132-Y134 VanDerWaalsContact O-N 3.16Å; Q132-Y134 PolarHBondContact OE1-OH 2.73Å; Y134-S160 CarbonylContact O-C 3.54Å; Y134-S161 PolarHBondContact O-N 2.9Å |
| 135 | L | 94.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.4 | 173.1 | -56.3 | 177.9 | 0 | 0 | 0 | 109.8 | A67 F70 L71 Q132 E133 I158 Y159 L181 H215 | A67-L135 HydrophobicContact CB-CD2 4.12Å; F70-L135 HydrophobicContact CD1-CD1 3.89Å; F70-L135 HydrophobicContact CE1-CD1 3.93Å; L71-L135 HydrophobicContact CD2-CD1 3.96Å; L71-L135 HydrophobicContact CG-CD1 4.39Å; Q132-L135 HydrophobicContact CB-CD1 4.06Å; Q132-L135 HydrophobicContact CB-CG 4.35Å; Q132-L135 WeakPolarHBondContact O-CB 3.3Å; Q132-L135 PolarHBondContact O-N 3.21Å; E133-L135 PolarHBondContact O-N 3.39Å; L135-I158 HydrophobicContact CB-CG2 4.27Å; L135-I158 HydrophobicContact CD2-CG2 3.85Å; L135-I158 HydrophobicContact CG-CG2 4.45Å; L135-Y159 CarbonylContact C-O 3.56Å; L135-Y159 WeakPolarHBondContact CA-O 3.16Å; L135-L181 HydrophobicContact CD2-CD1 4.49Å; L135-H215 PolarHBondContact O-CE1 3.4Å; L135-H215 PolarHBondContact O-NE2 3.12Å |
| 136 | K | 95.6 | Very high | 95 | Very high | 71 Ų | 71 | 23.3 Ų | 23.3 | 31% | 0.309 | 11% | 0.113 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 134.3 | 164.6 | -64.1 | -179.2 | 177.4 | 170.5 | 0 | 108.3 | I158 Y159 L252 | K136-I158 CarbonylContact O-C 3.39Å; K136-I158 WeakPolarHBondContact O-CA 3.18Å; K136-Y159 HydrophobicContact CB-CD1 4.21Å; K136-Y159 HydrophobicContact CD-CD1 4Å; K136-Y159 HydrophobicContact CD-CE1 4.48Å; K136-Y159 HydrophobicContact CG-CD1 4.31Å; K136-Y159 PolarHBondContact N-O 3.49Å; K136-Y159 PolarHBondContact O-N 2.81Å; K136-L252 HydrophobicContact CB-CD2 4.08Å; K136-L252 HydrophobicContact CD-CD2 4.39Å; K136-L252 WeakPolarHBondContact CD-O 3.48Å; K136-L252 VanDerWaalsContact CE-O 3.31Å; K136-L252 WeakPolarHBondContact CE-O 3.49Å; K136-L252 PolarHBondContact NZ-O 2.88Å |
| 137 | R | 97.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 135.1 | -172.5 | -56.7 | 162.5 | -63.2 | 137.9 | 12.5 | 109.4 | I126 T129 L156 G157 I158 P212 I213 S214 H215 | I126-R137 PolarHBondContact O-NH1 3.34Å; T129-R137 WeakPolarHBondContact OG1-CD 3.44Å; R137-L156 HydrophobicContact CB-CD1 4.12Å; R137-L156 HydrophobicContact CB-CD2 4.44Å; R137-L156 HydrophobicContact CB-CG 4.41Å; R137-L156 HydrophobicContact CG-CD2 4.48Å; R137-G157 WeakPolarHBondContact CA-O 3.17Å; R137-I158 HydrophobicContact CB-CD1 4.41Å; R137-I158 HydrophobicContact CG-CD1 3.85Å; R137-P212 CarbonylContact O-C 3.57Å; R137-P212 WeakPolarHBondContact O-CA 3.15Å; R137-I213 HydrophobicContact CB-CB 4.5Å; R137-I213 PolarHBondContact NH2-O 3.43Å; R137-I213 PolarHBondContact O-N 3.16Å; R137-S214 PolarHBondContact NH2-O 2.85Å; R137-H215 PolarHBondContact NE-CE1 3.44Å; R137-H215 PolarHBondContact NE-NE2 3.35Å |
| 138 | F | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 151.1 | 177.9 | 56.3 | -86.4 | 0 | 0 | 0 | 109.8 | M140 L156 G157 F165 L186 I209 Y248 L252 | F138-M140 HydrophobicContact CD2-CG 3.93Å; F138-M140 HydrophobicContact CE2-CG 3.67Å; F138-M140 HydrophobicContact CE2-SD 3.78Å; F138-L156 CarbonylContact O-C 3.42Å; F138-G157 PolarHBondContact N-O 3.02Å; F138-G157 WeakPolarHBondContact O-CA 3.49Å; F138-G157 PolarHBondContact O-N 3.24Å; F138-F165 HydrophobicContact CE1-CD1 4.36Å; F138-F165 HydrophobicContact CE1-CE1 4.33Å; F138-F165 HydrophobicContact CZ-CD1 4.07Å; F138-F165 HydrophobicContact CZ-CE1 4.19Å; F138-L186 HydrophobicContact CE2-CD1 3.99Å; F138-L186 HydrophobicContact CZ-CD1 3.89Å; F138-I209 HydrophobicContact CD2-CG2 3.67Å; F138-I209 HydrophobicContact CE2-CG2 4.1Å; F138-Y248 VanDerWaalsContact CB-OH 3.23Å; F138-Y248 WeakPolarHBondContact CB-OH 3.39Å; F138-Y248 HydrophobicContact CD2-CE1 4.21Å; F138-Y248 HydrophobicContact CE2-CE1 4.34Å; F138-Y248 HydrophobicContact CG-CE1 4.33Å; F138-Y248 WeakPolarHBondContact CG-OH 3.4Å; F138-L252 HydrophobicContact CD1-CD1 4.02Å; F138-L252 HydrophobicContact CD1-CD2 4Å; F138-L252 HydrophobicContact CE1-CD1 3.76Å; F138-L252 HydrophobicContact CE1-CD2 4.45Å; F138-L252 HydrophobicContact CZ-CD1 4.32Å |
| 139 | T | 97.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 141.3 | -178.2 | 57.3 | 0 | 0 | 0 | 0 | 110.4 | T122 I209 G210 I213 I223 W225 | T122-T139 HydrophobicContact CG2-CG2 4.24Å; T139-I209 CarbonylContact O-C 3.55Å; T139-I209 WeakPolarHBondContact O-CA 3.4Å; T139-G210 PolarHBondContact O-N 3.06Å; T139-I213 HydrophobicContact CG2-CD1 4.18Å; T139-I223 HydrophobicContact CG2-CG2 4.04Å; T139-W225 HydrophobicContact CG2-CE3 3.67Å; T139-W225 HydrophobicContact CG2-CH2 4.04Å; T139-W225 HydrophobicContact CG2-CZ3 3.39Å |
| 140 | M | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 111 | 169.9 | -62.5 | -169.2 | -59.4 | 0 | 0 | 108.5 | F138 F142 V154 V155 A167 L186 L189 I190 Y193 K208 | F138-M140 HydrophobicContact CD2-CG 3.93Å; F138-M140 HydrophobicContact CE2-CG 3.67Å; F138-M140 HydrophobicContact CE2-SD 3.78Å; M140-F142 HydrophobicContact CB-CE2 3.97Å; M140-F142 HydrophobicContact CB-CZ 4.21Å; M140-F142 HydrophobicContact CE-CZ 4.42Å; M140-V154 VanDerWaalsContact O-CA 3.3Å; M140-V154 WeakPolarHBondContact O-CA 3.49Å; M140-V155 HydrophobicContact CB-CG2 3.87Å; M140-V155 HydrophobicContact CE-CG2 3.5Å; M140-V155 VanDerWaalsContact CE-CG2 3.5Å; M140-V155 PolarHBondContact N-O 2.63Å; M140-V155 PolarHBondContact O-N 2.8Å; M140-A167 HydrophobicContact CE-CB 4.11Å; M140-L186 HydrophobicContact SD-CD1 4.09Å; M140-L189 HydrophobicContact CE-CD2 3.91Å; M140-L189 HydrophobicContact CE-CG 4.36Å; M140-L189 HydrophobicContact SD-CD2 4.33Å; M140-I190 HydrophobicContact SD-CG1 4.44Å; M140-Y193 HydrophobicContact CE-CE2 3.9Å; M140-K208 CarbonylContact C-O 3.47Å; M140-K208 WeakPolarHBondContact CA-O 3.46Å |
| 141 | S | 97.4 | Very high | 94.5 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 119.4 | 176.4 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | H153 V207 K208 | S141-H153 CarbonylContact C-O 3.6Å; S141-H153 VanDerWaalsContact CA-O 3.27Å; S141-H153 WeakPolarHBondContact CA-O 3.36Å; S141-V207 CarbonylContact O-C 3.36Å; S141-V207 WeakPolarHBondContact O-CA 3.24Å; S141-K208 PolarHBondContact N-O 3.39Å; S141-K208 PolarHBondContact O-N 2.93Å |
| 142 | F | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 137.8 | 176.1 | -58 | -91 | 0 | 0 | 0 | 109.6 | M140 R152 H153 V155 Y193 Y197 L204 V207 | M140-F142 HydrophobicContact CB-CE2 3.97Å; M140-F142 HydrophobicContact CB-CZ 4.21Å; M140-F142 HydrophobicContact CE-CZ 4.42Å; F142-R152 WeakPolarHBondContact O-CA 3.4Å; F142-H153 AromaticContact CD2-ND1 3.95Å; F142-H153 PolarHBondContact N-O 3.19Å; F142-H153 PolarHBondContact O-N 2.78Å; F142-V155 HydrophobicContact CE2-CG2 3.88Å; F142-Y193 HydrophobicContact CE1-CD2 4.38Å; F142-Y193 HydrophobicContact CE1-CG 4.03Å; F142-Y193 HydrophobicContact CE2-CD1 4.21Å; F142-Y193 HydrophobicContact CE2-CD2 4.37Å; F142-Y193 HydrophobicContact CE2-CE1 4.43Å; F142-Y193 HydrophobicContact CE2-CG 4.18Å; F142-Y193 HydrophobicContact CZ-CD1 4.1Å; F142-Y193 AromaticContact CZ-CD2 3.68Å; F142-Y193 HydrophobicContact CZ-CD2 3.68Å; F142-Y193 HydrophobicContact CZ-CE2 4.21Å; F142-Y193 AromaticContact CZ-CG 3.6Å; F142-Y193 HydrophobicContact CZ-CG 3.6Å; F142-Y197 HydrophobicContact CB-CE2 3.68Å; F142-Y197 WeakPolarHBondContact CB-OH 3.48Å; F142-Y197 HydrophobicContact CD1-CD2 4.4Å; F142-Y197 AromaticContact CD1-CE2 3.7Å; F142-Y197 HydrophobicContact CD1-CE2 3.7Å; F142-Y197 HydrophobicContact CD2-CE2 4.3Å; F142-Y197 HydrophobicContact CE1-CE2 4.46Å; F142-Y197 AromaticContact CG-CE2 3.63Å; F142-Y197 HydrophobicContact CG-CE2 3.63Å; F142-L204 HydrophobicContact CB-CD1 4.09Å; F142-L204 HydrophobicContact CD1-CD1 4.07Å; F142-V207 HydrophobicContact CD1-CG1 4.37Å; F142-V207 HydrophobicContact CD1-CG2 3.56Å; F142-V207 HydrophobicContact CE1-CG1 4.14Å; F142-V207 HydrophobicContact CE1-CG2 3.76Å |
| 143 | V | 96.1 | Very high | 95 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 117.9 | 170.4 | -176.6 | 0 | 0 | 0 | 0 | 107.2 | V150 F151 L205 R206 | V143-V150 HydrophobicContact CG1-CG1 3.6Å; V143-F151 WeakPolarHBondContact CA-O 3.43Å; V143-L205 HydrophobicContact CG1-CD1 4.34Å; V143-L205 WeakPolarHBondContact O-CA 3.41Å; V143-L205 WeakPolarHBondContact O-CB 3.36Å; V143-L205 PolarHBondContact O-N 3.32Å; V143-R206 HydrophobicContact CB-CG 3.76Å; V143-R206 HydrophobicContact CG2-CG 3.95Å; V143-R206 PolarHBondContact N-O 2.94Å; V143-R206 PolarHBondContact O-N 2.86Å |
| 144 | S | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 170 | -178.9 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | V150 F151 H202 K203 | S144-V150 CarbonylContact O-C 3.05Å; S144-V150 WeakPolarHBondContact O-CA 3.49Å; S144-F151 PolarHBondContact N-O 2.82Å; S144-F151 PolarHBondContact O-N 3.05Å; S144-H202 PolarHBondContact OG-ND1 3.26Å; S144-K203 CarbonylContact C-O 3.5Å; S144-K203 WeakPolarHBondContact CA-O 3.4Å; S144-K203 WeakPolarHBondContact CB-O 3.41Å |
| 145 | E | 95 | Very high | 95.7 | Very high | 66 Ų | 66 | 31.2 Ų | 31.2 | 31% | 0.308 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137.2 | 177.1 | 178.7 | 177.3 | -143.1 | 0 | 0 | 109.3 | N149 H202 K203 L205 | E145-N149 CarbonylContact C-O 3.46Å; E145-N149 VanDerWaalsContact CA-O 3.28Å; E145-N149 WeakPolarHBondContact CA-O 3.43Å; E145-H202 CarbonylContact O-C 3.47Å; E145-H202 WeakPolarHBondContact O-CA 3.11Å; E145-K203 PolarHBondContact N-O 3.15Å; E145-K203 PolarHBondContact O-N 3.4Å; E145-L205 HydrophobicContact CB-CD1 4.1Å; E145-L205 HydrophobicContact CB-CD2 4.16Å; E145-L205 HydrophobicContact CB-CG 4.14Å |
| 146 | F | 93.6 | Very high | 95.9 | Very high | 46 Ų | 46 | 31.2 Ų | 31.2 | 20% | 0.202 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 130.6 | 171.3 | 168.8 | -111.4 | 0 | 0 | 0 | 108.7 | G148 N149 F151 Y201 H202 I337 | F146-G148 VanDerWaalsContact C-N 3.26Å; F146-G148 PolarHBondContact O-N 2.77Å; F146-N149 PolarHBondContact N-O 3.4Å; F146-N149 WeakPolarHBondContact O-CB 3.21Å; F146-N149 PolarHBondContact O-N 2.79Å; F146-F151 HydrophobicContact CB-CD2 3.99Å; F146-F151 HydrophobicContact CB-CE2 3.69Å; F146-F151 HydrophobicContact CD1-CE2 4.16Å; F146-F151 HydrophobicContact CG-CE2 4.44Å; F146-F151 WeakPolarHBondContact O-CE2 3.25Å; F146-Y201 WeakPolarHBondContact CD2-O 3.37Å; F146-H202 WeakPolarHBondContact CB-CE1 3.38Å; F146-H202 WeakPolarHBondContact CB-ND1 3.26Å; F146-I337 HydrophobicContact CE1-CG1 4.39Å |
| 147 | N | 93 | Very high | 96 | Very high | 130 Ų | 130 | 27.9 Ų | 27.9 | 70% | 0.695 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 47.3 | -176.4 | -65.3 | -6.8 | 0 | 0 | 0 | 113.4 | N149 | N147-N149 PolarHBondContact O-N 2.95Å; N147-N149 VanDerWaalsContact O-N 3.13Å; N147-N149 PolarHBondContact O-ND2 3.49Å; N147-N149 VanDerWaalsContact O-ND2 3.07Å |
| 148 | G | 90.9 | Very high | 96 | Very high | 61 Ų | 61 | 27.8 Ų | 27.8 | 63% | 0.629 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | -0.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | F146 | F146-G148 VanDerWaalsContact C-N 3.26Å; F146-G148 PolarHBondContact O-N 2.77Å |
| 149 | N | 93.5 | Very high | 96 | Very high | 83 Ų | 83 | 28.6 Ų | 28.6 | 44% | 0.444 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 134.3 | -180 | -68.9 | -73 | 0 | 0 | 0 | 110.9 | E145 F146 N147 F151 | E145-N149 CarbonylContact C-O 3.46Å; E145-N149 VanDerWaalsContact CA-O 3.28Å; E145-N149 WeakPolarHBondContact CA-O 3.43Å; F146-N149 PolarHBondContact N-O 3.4Å; F146-N149 WeakPolarHBondContact O-CB 3.21Å; F146-N149 PolarHBondContact O-N 2.79Å; N147-N149 PolarHBondContact O-N 2.95Å; N147-N149 VanDerWaalsContact O-N 3.13Å; N147-N149 PolarHBondContact O-ND2 3.49Å; N147-N149 VanDerWaalsContact O-ND2 3.07Å; N149-F151 HydrophobicContact CB-CD2 4.44Å; N149-F151 HydrophobicContact CB-CE2 3.6Å; N149-F151 HydrophobicContact CB-CZ 3.71Å; N149-F151 WeakPolarHBondContact O-CD2 3.45Å; N149-F151 VanDerWaalsContact O-CE2 3.26Å; N149-F151 WeakPolarHBondContact O-CE2 3.3Å |
| 150 | V | 93.3 | Very high | 95.9 | Very high | 82 Ų | 82 | 28.7 Ų | 28.7 | 50% | 0.497 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 126.3 | 176.8 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | V143 S144 L205 | V143-V150 HydrophobicContact CG1-CG1 3.6Å; S144-V150 CarbonylContact O-C 3.05Å; S144-V150 WeakPolarHBondContact O-CA 3.49Å; V150-L205 HydrophobicContact CG2-CD1 4.29Å |
| 151 | F | 94.6 | Very high | 95.6 | Very high | 21 Ų | 21 | 33.1 Ų | 33.1 | 9% | 0.092 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 146.4 | -178.5 | -69.7 | -69.3 | 0 | 0 | 0 | 109.8 | V143 S144 F146 N149 H202 Q334 V335 R336 | V143-F151 WeakPolarHBondContact CA-O 3.43Å; S144-F151 PolarHBondContact N-O 2.82Å; S144-F151 PolarHBondContact O-N 3.05Å; F146-F151 HydrophobicContact CB-CD2 3.99Å; F146-F151 HydrophobicContact CB-CE2 3.69Å; F146-F151 HydrophobicContact CD1-CE2 4.16Å; F146-F151 HydrophobicContact CG-CE2 4.44Å; F146-F151 WeakPolarHBondContact O-CE2 3.25Å; N149-F151 HydrophobicContact CB-CD2 4.44Å; N149-F151 HydrophobicContact CB-CE2 3.6Å; N149-F151 HydrophobicContact CB-CZ 3.71Å; N149-F151 WeakPolarHBondContact O-CD2 3.45Å; N149-F151 VanDerWaalsContact O-CE2 3.26Å; N149-F151 WeakPolarHBondContact O-CE2 3.3Å; F151-H202 AromaticContact CD2-CE1 3.41Å; F151-H202 VanDerWaalsContact CD2-CE1 3.41Å; F151-H202 WeakPolarHBondContact CD2-CE1 3.47Å; F151-H202 AromaticContact CD2-ND1 3.76Å; F151-H202 AromaticContact CE2-CE1 3.89Å; F151-H202 AromaticContact CG-CE1 3.82Å; F151-Q334 CarbonylContact C-O 3.57Å; F151-Q334 WeakPolarHBondContact CA-O 3.37Å; F151-Q334 WeakPolarHBondContact CB-O 3.36Å; F151-Q334 WeakPolarHBondContact CD1-O 3.39Å; F151-Q334 WeakPolarHBondContact CG-O 3.4Å; F151-V335 HydrophobicContact CB-CG2 4.27Å; F151-R336 HydrophobicContact CD1-CB 4.26Å; F151-R336 HydrophobicContact CE1-CB 3.4Å; F151-R336 VanDerWaalsContact CE1-CB 3.4Å; F151-R336 HydrophobicContact CZ-CB 3.74Å |
| 152 | R | 95.2 | Very high | 95.3 | Very high | 72 Ų | 72 | 36.3 Ų | 36.3 | 27% | 0.272 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 139.5 | 178.5 | -51.1 | 179.2 | -176.9 | -73.2 | -2.8 | 108.7 | F142 S332 Y333 Q334 | F142-R152 WeakPolarHBondContact O-CA 3.4Å; R152-S332 WeakPolarHBondContact CD-O 3.33Å; R152-Y333 HydrophobicContact CB-CD1 3.49Å; R152-Y333 VanDerWaalsContact CB-CD1 3.49Å; R152-Y333 HydrophobicContact CB-CE1 4.01Å; R152-Y333 HydrophobicContact CB-CG 4.01Å; R152-Y333 CarbonylContact O-C 3.59Å; R152-Y333 WeakPolarHBondContact O-CA 3.36Å; R152-Y333 VanDerWaalsContact O-CB 3.25Å; R152-Y333 WeakPolarHBondContact O-CB 3.35Å; R152-Q334 PolarHBondContact N-O 3.29Å; R152-Q334 CarbonylContact O-C 3.58Å; R152-Q334 PolarHBondContact O-N 2.81Å |
| 153 | H | 97.2 | Very high | 95.1 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 156 | 175.2 | 176.2 | -107.8 | 0 | 0 | 0 | 110 | S141 F142 V155 L170 L176 Y197 V335 | S141-H153 CarbonylContact C-O 3.6Å; S141-H153 VanDerWaalsContact CA-O 3.27Å; S141-H153 WeakPolarHBondContact CA-O 3.36Å; F142-H153 AromaticContact CD2-ND1 3.95Å; F142-H153 PolarHBondContact N-O 3.19Å; F142-H153 PolarHBondContact O-N 2.78Å; H153-V155 WeakPolarHBondContact CE1-CG1 3.15Å; H153-L170 PolarHBondContact NE2-O 3.38Å; H153-L176 PolarHBondContact CE1-O 2.75Å; H153-L176 PolarHBondContact NE2-O 2.87Å; H153-Y197 WeakPolarHBondContact CB-OH 3.48Å; H153-Y197 PolarHBondContact ND1-OH 3.44Å; H153-V335 HydrophobicContact CB-CG2 3.77Å |
| 154 | V | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 140.5 | -178.5 | 62.3 | 0 | 0 | 0 | 0 | 110.5 | C118 L119 T122 M140 W225 Y333 | C118-V154 HydrophobicContact CB-CG1 4.32Å; L119-V154 HydrophobicContact CB-CG1 4.05Å; L119-V154 HydrophobicContact CD1-CG1 4.1Å; T122-V154 HydrophobicContact CG2-CG2 4.16Å; T122-V154 PolarHBondContact OG1-O 2.9Å; M140-V154 VanDerWaalsContact O-CA 3.3Å; M140-V154 WeakPolarHBondContact O-CA 3.49Å; V154-W225 HydrophobicContact CG2-CZ3 4.19Å; V154-Y333 HydrophobicContact CB-CD1 4.12Å; V154-Y333 HydrophobicContact CB-CE1 3.81Å; V154-Y333 HydrophobicContact CG1-CD1 4.02Å; V154-Y333 HydrophobicContact CG1-CE1 4Å; V154-Y333 HydrophobicContact CG1-CG 4.41Å |
| 155 | V | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 165.9 | 172.6 | -56.9 | 0 | 0 | 0 | 0 | 109.5 | M140 F142 H153 A167 L168 Y193 | M140-V155 HydrophobicContact CB-CG2 3.87Å; M140-V155 HydrophobicContact CE-CG2 3.5Å; M140-V155 VanDerWaalsContact CE-CG2 3.5Å; M140-V155 PolarHBondContact N-O 2.63Å; M140-V155 PolarHBondContact O-N 2.8Å; F142-V155 HydrophobicContact CE2-CG2 3.88Å; H153-V155 WeakPolarHBondContact CE1-CG1 3.15Å; V155-A167 HydrophobicContact CG2-CB 4.28Å; V155-L168 WeakPolarHBondContact CB-O 3.22Å; V155-Y193 HydrophobicContact CG1-CE1 4.32Å; V155-Y193 HydrophobicContact CG2-CE2 4.46Å |
| 156 | L | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 106 | 170.3 | -170.9 | 66.1 | 0 | 0 | 0 | 109.1 | T122 A125 I126 R137 F138 I158 A167 L168 I213 | T122-L156 HydrophobicContact CG2-CB 4.23Å; T122-L156 HydrophobicContact CG2-CD1 4.46Å; A125-L156 HydrophobicContact CB-CB 4.48Å; A125-L156 HydrophobicContact CB-CD2 3.74Å; I126-L156 HydrophobicContact CD1-CD1 4.11Å; I126-L156 HydrophobicContact CG1-CD1 3.53Å; I126-L156 HydrophobicContact CG1-CD2 3.97Å; I126-L156 HydrophobicContact CG1-CG 4.39Å; R137-L156 HydrophobicContact CB-CD1 4.12Å; R137-L156 HydrophobicContact CB-CD2 4.44Å; R137-L156 HydrophobicContact CB-CG 4.41Å; R137-L156 HydrophobicContact CG-CD2 4.48Å; F138-L156 CarbonylContact O-C 3.42Å; L156-I158 HydrophobicContact CD2-CD1 3.93Å; L156-I158 HydrophobicContact CG-CD1 3.96Å; L156-A167 CarbonylContact O-C 3.59Å; L156-A167 WeakPolarHBondContact O-CA 3.39Å; L156-L168 HydrophobicContact CB-CB 4.34Å; L156-L168 HydrophobicContact CD2-CD1 4.49Å; L156-L168 PolarHBondContact N-O 3.26Å; L156-L168 PolarHBondContact O-N 3.1Å; L156-I213 HydrophobicContact CD1-CD1 4.01Å |
| 157 | G | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 137.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R137 F138 | R137-G157 WeakPolarHBondContact CA-O 3.17Å; F138-G157 PolarHBondContact N-O 3.02Å; F138-G157 WeakPolarHBondContact O-CA 3.49Å; F138-G157 PolarHBondContact O-N 3.24Å |
| 158 | I | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 138.1 | 179.7 | -54.3 | -64 | 0 | 0 | 0 | 108.6 | L71 L135 K136 R137 L156 F165 G166 L168 L181 | L71-I158 HydrophobicContact CD1-CG2 4.06Å; L71-I158 HydrophobicContact CD2-CD1 4.46Å; L71-I158 HydrophobicContact CD2-CG1 4.19Å; L71-I158 HydrophobicContact CD2-CG2 4.46Å; L135-I158 HydrophobicContact CB-CG2 4.27Å; L135-I158 HydrophobicContact CD2-CG2 3.85Å; L135-I158 HydrophobicContact CG-CG2 4.45Å; K136-I158 CarbonylContact O-C 3.39Å; K136-I158 WeakPolarHBondContact O-CA 3.18Å; R137-I158 HydrophobicContact CB-CD1 4.41Å; R137-I158 HydrophobicContact CG-CD1 3.85Å; L156-I158 HydrophobicContact CD2-CD1 3.93Å; L156-I158 HydrophobicContact CG-CD1 3.96Å; I158-F165 CarbonylContact O-C 3.59Å; I158-F165 VanDerWaalsContact O-CA 3.28Å; I158-F165 WeakPolarHBondContact O-CA 3.38Å; I158-G166 PolarHBondContact N-O 2.84Å; I158-G166 PolarHBondContact O-N 2.94Å; I158-L168 HydrophobicContact CD1-CD1 4.32Å; I158-L168 HydrophobicContact CG1-CD1 4.49Å; I158-L168 HydrophobicContact CG1-CG 4.36Å; I158-L181 HydrophobicContact CB-CD2 4.41Å; I158-L181 HydrophobicContact CG2-CD2 4.04Å |
| 159 | Y | 97.2 | Very high | 96.3 | Very high | 17 Ų | 17 | 25.1 Ų | 25.1 | 7% | 0.067 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 123 | 167.7 | 171.5 | -96.5 | 0 | 0 | 0 | 108.6 | L135 K136 G163 F165 R253 | L135-Y159 CarbonylContact C-O 3.56Å; L135-Y159 WeakPolarHBondContact CA-O 3.16Å; K136-Y159 HydrophobicContact CB-CD1 4.21Å; K136-Y159 HydrophobicContact CD-CD1 4Å; K136-Y159 HydrophobicContact CD-CE1 4.48Å; K136-Y159 HydrophobicContact CG-CD1 4.31Å; K136-Y159 PolarHBondContact N-O 3.49Å; K136-Y159 PolarHBondContact O-N 2.81Å; Y159-G163 WeakPolarHBondContact OH-CA 3.4Å; Y159-F165 AromaticContact CD2-CD1 3.99Å; Y159-F165 HydrophobicContact CD2-CD1 3.99Å; Y159-F165 AromaticContact CD2-CD2 3.95Å; Y159-F165 HydrophobicContact CD2-CD2 3.95Å; Y159-F165 AromaticContact CD2-CE1 3.61Å; Y159-F165 HydrophobicContact CD2-CE1 3.61Å; Y159-F165 AromaticContact CD2-CE2 3.56Å; Y159-F165 HydrophobicContact CD2-CE2 3.56Å; Y159-F165 HydrophobicContact CD2-CG 4.16Å; Y159-F165 AromaticContact CD2-CZ 3.38Å; Y159-F165 HydrophobicContact CD2-CZ 3.38Å; Y159-F165 HydrophobicContact CE2-CD2 4.42Å; Y159-F165 AromaticContact CE2-CE2 3.82Å; Y159-F165 HydrophobicContact CE2-CE2 3.82Å; Y159-F165 AromaticContact CE2-CZ 3.89Å; Y159-F165 HydrophobicContact CE2-CZ 3.89Å; Y159-F165 HydrophobicContact CG-CE1 4.17Å; Y159-F165 HydrophobicContact CG-CZ 4.29Å; Y159-R253 HydrophobicContact CE1-CG 4.31Å; Y159-R253 VanDerWaalsContact OH-CG 3.25Å; Y159-R253 WeakPolarHBondContact OH-CG 3.37Å |
| 160 | S | 95.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 3% | 0.028 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 153.5 | 178.4 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | Y134 S162 G163 L164 | Y134-S160 CarbonylContact O-C 3.54Å; S160-S162 WeakPolarHBondContact CB-OG 3.43Å; S160-S162 PolarHBondContact O-N 3.36Å; S160-S162 VanDerWaalsContact O-N 3.12Å; S160-S162 PolarHBondContact OG-N 2.84Å; S160-S162 PolarHBondContact OG-OG 2.81Å; S160-G163 PolarHBondContact O-N 2.75Å; S160-L164 PolarHBondContact N-O 3.06Å |
| 161 | S | 91.5 | Very high | 96.7 | Very high | 92 Ų | 92 | 18 Ų | 18 | 64% | 0.643 | 11% | 0.107 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -24.3 | 168.9 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | Y134 G163 | Y134-S161 PolarHBondContact O-N 2.9Å; S161-G163 PolarHBondContact O-N 3.04Å |
| 162 | S | 91.8 | Very high | 96.7 | Very high | 78 Ų | 78 | 19 Ų | 19 | 55% | 0.545 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -5 | 172.2 | 62.4 | 0 | 0 | 0 | 0 | 114.8 | S160 | S160-S162 WeakPolarHBondContact CB-OG 3.43Å; S160-S162 PolarHBondContact O-N 3.36Å; S160-S162 VanDerWaalsContact O-N 3.12Å; S160-S162 PolarHBondContact OG-N 2.84Å; S160-S162 PolarHBondContact OG-OG 2.81Å |
| 163 | G | 93.4 | Very high | 96.7 | Very high | 16 Ų | 16 | 18.9 Ų | 18.9 | 17% | 0.165 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 89.7 | -1.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y159 S160 S161 | Y159-G163 WeakPolarHBondContact OH-CA 3.4Å; S160-G163 PolarHBondContact O-N 2.75Å; S161-G163 PolarHBondContact O-N 3.04Å |
| 164 | L | 96.8 | Very high | 96.6 | Very high | 58 Ų | 58 | 26.3 Ų | 26.3 | 30% | 0.304 | 14% | 0.144 | S | C | . | . | trans | -94.4 | 146.9 | -177.7 | -58 | 175.6 | 0 | 0 | 0 | 111.8 | S160 L181 P184 | S160-L164 PolarHBondContact N-O 3.06Å; L164-L181 WeakPolarHBondContact CD1-O 3.35Å; L164-P184 HydrophobicContact CD2-CB 4.42Å | ||
| 165 | F | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 152.4 | 176.1 | -68.9 | -95.8 | 0 | 0 | 0 | 111 | F138 I158 Y159 L181 N182 F183 L186 L189 L252 | F138-F165 HydrophobicContact CE1-CD1 4.36Å; F138-F165 HydrophobicContact CE1-CE1 4.33Å; F138-F165 HydrophobicContact CZ-CD1 4.07Å; F138-F165 HydrophobicContact CZ-CE1 4.19Å; I158-F165 CarbonylContact O-C 3.59Å; I158-F165 VanDerWaalsContact O-CA 3.28Å; I158-F165 WeakPolarHBondContact O-CA 3.38Å; Y159-F165 AromaticContact CD2-CD1 3.99Å; Y159-F165 HydrophobicContact CD2-CD1 3.99Å; Y159-F165 AromaticContact CD2-CD2 3.95Å; Y159-F165 HydrophobicContact CD2-CD2 3.95Å; Y159-F165 AromaticContact CD2-CE1 3.61Å; Y159-F165 HydrophobicContact CD2-CE1 3.61Å; Y159-F165 AromaticContact CD2-CE2 3.56Å; Y159-F165 HydrophobicContact CD2-CE2 3.56Å; Y159-F165 HydrophobicContact CD2-CG 4.16Å; Y159-F165 AromaticContact CD2-CZ 3.38Å; Y159-F165 HydrophobicContact CD2-CZ 3.38Å; Y159-F165 HydrophobicContact CE2-CD2 4.42Å; Y159-F165 AromaticContact CE2-CE2 3.82Å; Y159-F165 HydrophobicContact CE2-CE2 3.82Å; Y159-F165 AromaticContact CE2-CZ 3.89Å; Y159-F165 HydrophobicContact CE2-CZ 3.89Å; Y159-F165 HydrophobicContact CG-CE1 4.17Å; Y159-F165 HydrophobicContact CG-CZ 4.29Å; F165-L181 WeakPolarHBondContact O-CA 3.37Å; F165-N182 PolarHBondContact O-N 2.8Å; F165-F183 HydrophobicContact CB-CB 4.02Å; F165-F183 WeakPolarHBondContact CB-O 3.37Å; F165-F183 PolarHBondContact N-O 2.95Å; F165-F183 WeakPolarHBondContact O-CB 2.99Å; F165-F183 WeakPolarHBondContact O-CD2 3.02Å; F165-F183 PolarHBondContact O-N 2.82Å; F165-L186 HydrophobicContact CD1-CB 4.17Å; F165-L186 HydrophobicContact CD1-CD1 4.03Å; F165-L186 HydrophobicContact CE1-CB 3.86Å; F165-L186 HydrophobicContact CE1-CD1 4.21Å; F165-L186 HydrophobicContact CE1-CD2 4.44Å; F165-L186 HydrophobicContact CE1-CG 4.4Å; F165-L186 HydrophobicContact CE2-CB 4.4Å; F165-L186 HydrophobicContact CZ-CB 3.98Å; F165-L189 HydrophobicContact CB-CB 4.5Å; F165-L189 HydrophobicContact CB-CD2 3.98Å; F165-L252 HydrophobicContact CE1-CD1 3.79Å; F165-L252 HydrophobicContact CZ-CD1 4.3Å |
| 166 | G | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | -169.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | I158 K179 L189 | I158-G166 PolarHBondContact N-O 2.84Å; I158-G166 PolarHBondContact O-N 2.94Å; G166-K179 WeakPolarHBondContact CA-O 3.34Å; G166-L189 WeakPolarHBondContact O-CD2 3.16Å |
| 167 | A | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 148.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M140 V155 L156 Y178 K179 Y193 | M140-A167 HydrophobicContact CE-CB 4.11Å; V155-A167 HydrophobicContact CG2-CB 4.28Å; L156-A167 CarbonylContact O-C 3.59Å; L156-A167 WeakPolarHBondContact O-CA 3.39Å; A167-Y178 WeakPolarHBondContact O-CA 3.46Å; A167-Y178 WeakPolarHBondContact O-CD2 3.41Å; A167-K179 HydrophobicContact CB-CB 4.04Å; A167-K179 HydrophobicContact CB-CG 4.21Å; A167-K179 PolarHBondContact N-O 2.78Å; A167-K179 PolarHBondContact O-N 3.26Å; A167-Y193 HydrophobicContact CB-CE2 4.22Å; A167-Y193 WeakPolarHBondContact CB-OH 3.46Å |
| 168 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 147.6 | 169.7 | -67.7 | 171.3 | 0 | 0 | 0 | 109.9 | L71 V74 Q75 A125 T129 V155 L156 I158 Y178 | L71-L168 HydrophobicContact CB-CD2 4.35Å; L71-L168 HydrophobicContact CD2-CD1 3.62Å; L71-L168 HydrophobicContact CD2-CD2 4.2Å; L71-L168 HydrophobicContact CD2-CG 3.99Å; V74-L168 HydrophobicContact CB-CD1 4.23Å; V74-L168 HydrophobicContact CB-CD2 4.39Å; V74-L168 HydrophobicContact CG1-CD1 3.69Å; V74-L168 HydrophobicContact CG1-CD2 4.33Å; Q75-L168 HydrophobicContact CB-CD2 3.87Å; A125-L168 HydrophobicContact CB-CB 4.19Å; A125-L168 HydrophobicContact CB-CD1 4.15Å; T129-L168 HydrophobicContact CG2-CD1 3.68Å; V155-L168 WeakPolarHBondContact CB-O 3.22Å; L156-L168 HydrophobicContact CB-CB 4.34Å; L156-L168 HydrophobicContact CD2-CD1 4.49Å; L156-L168 PolarHBondContact N-O 3.26Å; L156-L168 PolarHBondContact O-N 3.1Å; I158-L168 HydrophobicContact CD1-CD1 4.32Å; I158-L168 HydrophobicContact CG1-CD1 4.49Å; I158-L168 HydrophobicContact CG1-CG 4.36Å; L168-Y178 HydrophobicContact CD2-CD2 4.07Å; L168-Y178 HydrophobicContact CD2-CE2 4.13Å |
| 169 | G | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | 165 | -171.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q75 | Q75-G169 PolarHBondContact NE2-O 2.91Å; Q75-G169 PolarHBondContact OE1-O 2.97Å | ||
| 170 | L | 97.5 | Very high | 96.5 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | trans | -129.4 | 148.7 | 172.5 | -75 | 179 | 0 | 0 | 0 | 110.5 | L78 N79 Y83 I116 C118 A121 H153 M177 | L78-L170 HydrophobicContact CB-CD1 4.38Å; L78-L170 HydrophobicContact CB-CD2 4.23Å; L78-L170 HydrophobicContact CB-CG 4.13Å; N79-L170 WeakPolarHBondContact OD1-CD2 3.36Å; Y83-L170 HydrophobicContact CD2-CB 4.21Å; I116-L170 HydrophobicContact CD1-CD1 3.71Å; I116-L170 HydrophobicContact CG1-CD1 3.62Å; C118-L170 WeakPolarHBondContact CB-O 3.13Å; A121-L170 HydrophobicContact CB-CB 3.77Å; A121-L170 HydrophobicContact CB-CD1 3.85Å; A121-L170 HydrophobicContact CB-CG 3.75Å; H153-L170 PolarHBondContact NE2-O 3.38Å; L170-M177 HydrophobicContact CD2-SD 4.36Å | ||
| 171 | S | 96.9 | Very high | 96.5 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 8% | 0.077 | 19% | 0.188 | C | C | . | . | trans | -153.4 | 163.1 | 176.3 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | Y83 R173 L176 | Y83-S171 VanDerWaalsContact CD2-C 3.46Å; S171-R173 WeakPolarHBondContact CB-O 3.48Å; S171-R173 PolarHBondContact O-N 2.86Å; S171-R173 PolarHBondContact OG-N 3.45Å; S171-R173 PolarHBondContact OG-O 2.97Å; S171-L176 VanDerWaalsContact CB-O 3.3Å; S171-L176 WeakPolarHBondContact CB-O 3.39Å; S171-L176 WeakPolarHBondContact OG-CB 3.48Å | ||
| 172 | R | 94.7 | Very high | 96.8 | Very high | 42 Ų | 42 | 35 Ų | 35 | 16% | 0.158 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -69.8 | -16.6 | 167.7 | -64.6 | -176.3 | -83.4 | -147.1 | -14.6 | 112.6 | Y83 Y85 Q334 V335 | Y83-R172 HydrophobicContact CD1-CG 3.59Å; Y83-R172 HydrophobicContact CD2-CG 4.4Å; Y83-R172 HydrophobicContact CE1-CG 3.28Å; Y83-R172 HydrophobicContact CE2-CG 4.14Å; Y83-R172 HydrophobicContact CG-CG 4.15Å; Y85-R172 HydrophobicContact CE1-CB 4.23Å; Y85-R172 HydrophobicContact CE1-CG 3.59Å; R172-Q334 VanDerWaalsContact NH2-CB 3.26Å; R172-V335 PolarHBondContact NE-O 3.25Å; R172-V335 PolarHBondContact NH2-O 3.23Å |
| 173 | R | 95.9 | Very high | 97 | Very high | 69 Ų | 69 | 32.5 Ų | 32.5 | 26% | 0.26 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -120.3 | 127.2 | -177.6 | -55.8 | -63.9 | 175.6 | 147.2 | -32.6 | 109.2 | S171 N175 L176 H200 I337 | S171-R173 WeakPolarHBondContact CB-O 3.48Å; S171-R173 PolarHBondContact O-N 2.86Å; S171-R173 PolarHBondContact OG-N 3.45Å; S171-R173 PolarHBondContact OG-O 2.97Å; R173-N175 VanDerWaalsContact C-N 3.3Å; R173-N175 PolarHBondContact O-N 3.33Å; R173-L176 HydrophobicContact CB-CB 4.19Å; R173-L176 HydrophobicContact CB-CD1 4.07Å; R173-L176 HydrophobicContact CB-CG 4.22Å; R173-L176 HydrophobicContact CG-CD1 4.28Å; R173-L176 PolarHBondContact O-N 3.24Å; R173-H200 PolarHBondContact NH1-CE1 3.36Å; R173-H200 PolarHBondContact NH1-ND1 3.41Å; R173-I337 PolarHBondContact NE-O 2.76Å; R173-I337 PolarHBondContact NH2-O 3.23Å |
| 174 | E | 95.3 | Very high | 97.2 | Very high | 159 Ų | 159 | 35.7 Ų | 35.7 | 74% | 0.743 | 18% | 0.179 | S | C | * | . | G | 310 helix | trans | -60.5 | -40.4 | -174.8 | -56.8 | -172.9 | 154.1 | 0 | 0 | 112.6 | L176 M177 | E174-L176 PolarHBondContact O-N 2.81Å; E174-L176 VanDerWaalsContact O-N 3.15Å; E174-M177 HydrophobicContact CB-CE 3.94Å; E174-M177 HydrophobicContact CG-CE 4.04Å; E174-M177 WeakPolarHBondContact O-CG 3.39Å; E174-M177 PolarHBondContact O-N 2.83Å |
| 175 | N | 96.5 | Very high | 97.1 | Very high | 62 Ų | 62 | 34.9 Ų | 34.9 | 33% | 0.332 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -72.3 | -2.8 | 177.2 | 68.5 | -14.4 | 0 | 0 | 0 | 114.3 | R173 K179 A196 H200 | R173-N175 VanDerWaalsContact C-N 3.3Å; R173-N175 PolarHBondContact O-N 3.33Å; N175-K179 VanDerWaalsContact O-CE 3.24Å; N175-K179 WeakPolarHBondContact O-CE 3.14Å; N175-K179 PolarHBondContact O-NZ 3.46Å; N175-A196 HydrophobicContact CB-CB 4.08Å; N175-A196 WeakPolarHBondContact ND2-CB 2.91Å; N175-A196 WeakPolarHBondContact O-CB 3.45Å; N175-H200 PolarHBondContact ND2-NE2 3.29Å; N175-H200 PolarHBondContact OD1-NE2 3.47Å |
| 176 | L | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -112.6 | 20.4 | 174.9 | -68 | 177.7 | 0 | 0 | 0 | 112.1 | H153 S171 R173 E174 Y193 A196 Y197 V335 | H153-L176 PolarHBondContact CE1-O 2.75Å; H153-L176 PolarHBondContact NE2-O 2.87Å; S171-L176 VanDerWaalsContact CB-O 3.3Å; S171-L176 WeakPolarHBondContact CB-O 3.39Å; S171-L176 WeakPolarHBondContact OG-CB 3.48Å; R173-L176 HydrophobicContact CB-CB 4.19Å; R173-L176 HydrophobicContact CB-CD1 4.07Å; R173-L176 HydrophobicContact CB-CG 4.22Å; R173-L176 HydrophobicContact CG-CD1 4.28Å; R173-L176 PolarHBondContact O-N 3.24Å; E174-L176 PolarHBondContact O-N 2.81Å; E174-L176 VanDerWaalsContact O-N 3.15Å; L176-Y193 HydrophobicContact CD2-CD1 4.04Å; L176-A196 HydrophobicContact CD2-CB 3.61Å; L176-A196 HydrophobicContact CG-CB 4.23Å; L176-Y197 HydrophobicContact CD1-CD1 4.11Å; L176-Y197 HydrophobicContact CD1-CE1 3.87Å; L176-Y197 HydrophobicContact CD2-CD1 4.14Å; L176-Y197 HydrophobicContact CD2-CD2 3.78Å; L176-Y197 HydrophobicContact CD2-CE1 4.05Å; L176-Y197 HydrophobicContact CD2-CE2 3.64Å; L176-Y197 HydrophobicContact CD2-CG 3.99Å; L176-V335 HydrophobicContact CD1-CG1 4.04Å |
| 177 | M | 97.2 | Very high | 96.9 | Very high | 26 Ų | 26 | 35.5 Ų | 35.5 | 13% | 0.128 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -127.3 | -107.2 | 176.4 | 50.9 | 164.4 | -166.1 | 0 | 0 | 112 | L170 E174 Y193 | L170-M177 HydrophobicContact CD2-SD 4.36Å; E174-M177 HydrophobicContact CB-CE 3.94Å; E174-M177 HydrophobicContact CG-CE 4.04Å; E174-M177 WeakPolarHBondContact O-CG 3.39Å; E174-M177 PolarHBondContact O-N 2.83Å; M177-Y193 PolarHBondContact O-OH 3.02Å |
| 178 | Y | 98.3 | Very high | 96.8 | Very high | 45 Ų | 45 | 39.5 Ų | 39.5 | 18% | 0.176 | 20% | 0.204 | C | C | . | . | trans | -58.3 | 140.3 | -179.9 | -176.4 | -120.6 | 0 | 0 | 0 | 112.6 | N72 Q75 A167 L168 P180 | N72-Y178 VanDerWaalsContact OD1-CZ 3.25Å; N72-Y178 PolarHBondContact OD1-OH 2.81Å; Q75-Y178 HydrophobicContact CB-CD2 3.95Å; Q75-Y178 HydrophobicContact CB-CE2 4.32Å; Q75-Y178 HydrophobicContact CB-CG 4.38Å; Q75-Y178 HydrophobicContact CG-CD1 4.47Å; Q75-Y178 HydrophobicContact CG-CD2 3.75Å; Q75-Y178 HydrophobicContact CG-CG 3.73Å; A167-Y178 WeakPolarHBondContact O-CA 3.46Å; A167-Y178 WeakPolarHBondContact O-CD2 3.41Å; L168-Y178 HydrophobicContact CD2-CD2 4.07Å; L168-Y178 HydrophobicContact CD2-CE2 4.13Å; Y178-P180 HydrophobicContact CE1-CB 4.35Å | ||
| 179 | K | 98.2 | Very high | 96.7 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 123.1 | 168.7 | -61.7 | -66.4 | 170.9 | -177.7 | 0 | 108.2 | G166 A167 N175 F183 L189 N192 Y193 | G166-K179 WeakPolarHBondContact CA-O 3.34Å; A167-K179 HydrophobicContact CB-CB 4.04Å; A167-K179 HydrophobicContact CB-CG 4.21Å; A167-K179 PolarHBondContact N-O 2.78Å; A167-K179 PolarHBondContact O-N 3.26Å; N175-K179 VanDerWaalsContact O-CE 3.24Å; N175-K179 WeakPolarHBondContact O-CE 3.14Å; N175-K179 PolarHBondContact O-NZ 3.46Å; K179-F183 HydrophobicContact CB-CE2 3.85Å; K179-F183 HydrophobicContact CD-CE2 4.4Å; K179-F183 HydrophobicContact CD-CZ 4.36Å; K179-F183 HydrophobicContact CG-CE2 4.49Å; K179-L189 HydrophobicContact CB-CD1 3.72Å; K179-L189 HydrophobicContact CG-CD1 3.73Å; K179-N192 WeakPolarHBondContact CD-OD1 3.23Å; K179-N192 VanDerWaalsContact CE-OD1 3.22Å; K179-N192 WeakPolarHBondContact CE-OD1 3.47Å; K179-N192 PolarHBondContact NZ-OD1 3.02Å; K179-Y193 HydrophobicContact CG-CE2 3.7Å |
| 180 | P | 97.3 | Very high | 96.7 | Very high | 39 Ų | 39 | 39.5 Ų | 39.5 | 25% | 0.253 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 160.5 | 178.9 | 26.8 | -34.5 | 0 | 0 | 0 | 111.3 | Y178 N182 | Y178-P180 HydrophobicContact CE1-CB 4.35Å; P180-N182 PolarHBondContact O-N 2.88Å; P180-N182 PolarHBondContact O-OD1 2.82Å |
| 181 | L | 96.5 | Very high | 96.5 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 7% | 0.068 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 63.4 | 177.3 | -80.3 | 176.4 | 0 | 0 | 0 | 111.6 | A67 L71 L135 I158 L164 F165 | A67-L181 HydrophobicContact CB-CD1 3.66Å; L71-L181 HydrophobicContact CD1-CD1 3.33Å; L71-L181 HydrophobicContact CD1-CD2 4.07Å; L71-L181 HydrophobicContact CD1-CG 3.45Å; L71-L181 VanDerWaalsContact CD1-CG 3.45Å; L71-L181 HydrophobicContact CG-CD1 4.5Å; L135-L181 HydrophobicContact CD2-CD1 4.49Å; I158-L181 HydrophobicContact CB-CD2 4.41Å; I158-L181 HydrophobicContact CG2-CD2 4.04Å; L164-L181 WeakPolarHBondContact CD1-O 3.35Å; F165-L181 WeakPolarHBondContact O-CA 3.37Å |
| 182 | N | 96.5 | Very high | 96.6 | Very high | 96 Ų | 96 | 43 Ų | 43 | 51% | 0.513 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 5.7 | -178 | 68.3 | -1.2 | 0 | 0 | 0 | 113.9 | F165 P180 P184 | F165-N182 PolarHBondContact O-N 2.8Å; P180-N182 PolarHBondContact O-N 2.88Å; P180-N182 PolarHBondContact O-OD1 2.82Å; N182-P184 WeakPolarHBondContact O-CD 3.1Å |
| 183 | F | 97.5 | Very high | 96.7 | Very high | 25 Ų | 25 | 41 Ų | 41 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 114.7 | -179.9 | -64.4 | -90.1 | 0 | 0 | 0 | 110.5 | F165 K179 S185 L188 L189 N192 | F165-F183 HydrophobicContact CB-CB 4.02Å; F165-F183 WeakPolarHBondContact CB-O 3.37Å; F165-F183 PolarHBondContact N-O 2.95Å; F165-F183 WeakPolarHBondContact O-CB 2.99Å; F165-F183 WeakPolarHBondContact O-CD2 3.02Å; F165-F183 PolarHBondContact O-N 2.82Å; K179-F183 HydrophobicContact CB-CE2 3.85Å; K179-F183 HydrophobicContact CD-CE2 4.4Å; K179-F183 HydrophobicContact CD-CZ 4.36Å; K179-F183 HydrophobicContact CG-CE2 4.49Å; F183-S185 PolarHBondContact O-N 2.82Å; F183-L188 HydrophobicContact CD1-CB 4.07Å; F183-L189 HydrophobicContact CB-CB 4.05Å; F183-L189 HydrophobicContact CD1-CB 4.16Å; F183-L189 HydrophobicContact CD2-CB 4.45Å; F183-L189 HydrophobicContact CD2-CD1 3.79Å; F183-L189 HydrophobicContact CE2-CD1 3.9Å; F183-L189 HydrophobicContact CG-CB 3.96Å; F183-L189 HydrophobicContact CG-CD1 4.13Å; F183-L189 HydrophobicContact CZ-CD1 4.3Å; F183-N192 HydrophobicContact CE1-CB 3.66Å; F183-N192 HydrophobicContact CZ-CB 4.01Å |
| 184 | P | 95.7 | Very high | 96.7 | Very high | 83 Ų | 83 | 39.3 Ų | 39.3 | 54% | 0.539 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -74.7 | -9.2 | -177.8 | 28.6 | -33.8 | 0 | 0 | 0 | 113.5 | L164 N182 L188 | L164-P184 HydrophobicContact CD2-CB 4.42Å; N182-P184 WeakPolarHBondContact O-CD 3.1Å; P184-L188 HydrophobicContact CG-CD1 3.7Å |
| 185 | S | 95.7 | Very high | 96.7 | Very high | 40 Ų | 40 | 38 Ų | 38 | 28% | 0.28 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -145.3 | 152.6 | 174.2 | 71.9 | 0 | 0 | 0 | 0 | 111.9 | F183 S187 L188 L189 | F183-S185 PolarHBondContact O-N 2.82Å; S185-S187 PolarHBondContact O-N 3.41Å; S185-L188 PolarHBondContact O-N 2.84Å; S185-L188 WeakPolarHBondContact OG-CG 3.33Å; S185-L188 PolarHBondContact OG-N 3.39Å; S185-L189 PolarHBondContact O-N 2.98Å |
| 186 | L | 96 | Very high | 96.8 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -28.9 | 175.1 | -174.5 | 55.7 | 0 | 0 | 0 | 112.6 | F138 M140 F165 L189 I190 I209 L245 Y248 | F138-L186 HydrophobicContact CE2-CD1 3.99Å; F138-L186 HydrophobicContact CZ-CD1 3.89Å; M140-L186 HydrophobicContact SD-CD1 4.09Å; F165-L186 HydrophobicContact CD1-CB 4.17Å; F165-L186 HydrophobicContact CD1-CD1 4.03Å; F165-L186 HydrophobicContact CE1-CB 3.86Å; F165-L186 HydrophobicContact CE1-CD1 4.21Å; F165-L186 HydrophobicContact CE1-CD2 4.44Å; F165-L186 HydrophobicContact CE1-CG 4.4Å; F165-L186 HydrophobicContact CE2-CB 4.4Å; F165-L186 HydrophobicContact CZ-CB 3.98Å; L186-L189 HydrophobicContact CD1-CD2 4.18Å; L186-L189 PolarHBondContact O-N 3.47Å; L186-I190 HydrophobicContact CD1-CD1 4.17Å; L186-I190 HydrophobicContact CD1-CG1 4.31Å; L186-I190 HydrophobicContact CG-CD1 3.96Å; L186-I190 WeakPolarHBondContact O-CB 3.26Å; L186-I190 WeakPolarHBondContact O-CG1 3.34Å; L186-I190 PolarHBondContact O-N 3.42Å; L186-I209 HydrophobicContact CD2-CD1 4.13Å; L186-L245 HydrophobicContact CD2-CD2 3.82Å; L186-L245 HydrophobicContact CG-CD2 3.97Å; L186-Y248 HydrophobicContact CD2-CD1 3.47Å; L186-Y248 VanDerWaalsContact CD2-CD1 3.47Å; L186-Y248 HydrophobicContact CD2-CE1 3.94Å |
| 187 | S | 95.4 | Very high | 96.7 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 9% | 0.091 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.2 | -47 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | S185 L189 I190 N191 N242 | S185-S187 PolarHBondContact O-N 3.41Å; S187-L189 VanDerWaalsContact C-N 3.34Å; S187-L189 PolarHBondContact O-N 2.83Å; S187-I190 PolarHBondContact O-N 3.36Å; S187-N191 WeakPolarHBondContact O-CB 3.48Å; S187-N191 PolarHBondContact O-N 3.18Å; S187-N191 PolarHBondContact O-ND2 3.46Å; S187-N191 VanDerWaalsContact O-ND2 3.12Å; S187-N191 PolarHBondContact OG-ND2 3.45Å; S187-N242 WeakPolarHBondContact CB-OD1 3.34Å; S187-N242 PolarHBondContact OG-OD1 3.28Å |
| 188 | L | 96.9 | Very high | 96.6 | Very high | 85 Ų | 85 | 41.2 Ų | 41.2 | 45% | 0.445 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.6 | -40.2 | 177.9 | -69 | 171 | 0 | 0 | 0 | 112.1 | F183 P184 S185 N191 N192 | F183-L188 HydrophobicContact CD1-CB 4.07Å; P184-L188 HydrophobicContact CG-CD1 3.7Å; S185-L188 PolarHBondContact O-N 2.84Å; S185-L188 WeakPolarHBondContact OG-CG 3.33Å; S185-L188 PolarHBondContact OG-N 3.39Å; L188-N191 PolarHBondContact O-N 3.33Å; L188-N192 WeakPolarHBondContact O-CB 3.46Å; L188-N192 PolarHBondContact O-N 3.23Å |
| 189 | L | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -48.1 | 174.6 | 177.5 | 60 | 0 | 0 | 0 | 111.8 | M140 F165 G166 K179 F183 S185 L186 S187 N192 Y193 | M140-L189 HydrophobicContact CE-CD2 3.91Å; M140-L189 HydrophobicContact CE-CG 4.36Å; M140-L189 HydrophobicContact SD-CD2 4.33Å; F165-L189 HydrophobicContact CB-CB 4.5Å; F165-L189 HydrophobicContact CB-CD2 3.98Å; G166-L189 WeakPolarHBondContact O-CD2 3.16Å; K179-L189 HydrophobicContact CB-CD1 3.72Å; K179-L189 HydrophobicContact CG-CD1 3.73Å; F183-L189 HydrophobicContact CB-CB 4.05Å; F183-L189 HydrophobicContact CD1-CB 4.16Å; F183-L189 HydrophobicContact CD2-CB 4.45Å; F183-L189 HydrophobicContact CD2-CD1 3.79Å; F183-L189 HydrophobicContact CE2-CD1 3.9Å; F183-L189 HydrophobicContact CG-CB 3.96Å; F183-L189 HydrophobicContact CG-CD1 4.13Å; F183-L189 HydrophobicContact CZ-CD1 4.3Å; S185-L189 PolarHBondContact O-N 2.98Å; L186-L189 HydrophobicContact CD1-CD2 4.18Å; L186-L189 PolarHBondContact O-N 3.47Å; S187-L189 VanDerWaalsContact C-N 3.34Å; S187-L189 PolarHBondContact O-N 2.83Å; L189-N192 WeakPolarHBondContact O-CB 3.3Å; L189-N192 PolarHBondContact O-N 3.22Å; L189-Y193 HydrophobicContact CD1-CD2 4.22Å; L189-Y193 HydrophobicContact CD1-CE2 3.84Å; L189-Y193 HydrophobicContact CG-CD2 4.44Å; L189-Y193 HydrophobicContact CG-CE2 4.28Å; L189-Y193 WeakPolarHBondContact O-CD2 3.21Å; L189-Y193 PolarHBondContact O-N 3.28Å |
| 190 | I | 96.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.5 | -38.7 | 179.3 | -72.1 | 171.6 | 0 | 0 | 0 | 111.4 | M140 L186 S187 N192 Y193 T194 V207 I209 F232 L245 | M140-I190 HydrophobicContact SD-CG1 4.44Å; L186-I190 HydrophobicContact CD1-CD1 4.17Å; L186-I190 HydrophobicContact CD1-CG1 4.31Å; L186-I190 HydrophobicContact CG-CD1 3.96Å; L186-I190 WeakPolarHBondContact O-CB 3.26Å; L186-I190 WeakPolarHBondContact O-CG1 3.34Å; L186-I190 PolarHBondContact O-N 3.42Å; S187-I190 PolarHBondContact O-N 3.36Å; I190-N192 VanDerWaalsContact C-N 3.31Å; I190-N192 PolarHBondContact O-N 3.06Å; I190-Y193 PolarHBondContact O-N 2.81Å; I190-T194 WeakPolarHBondContact O-CB 3.47Å; I190-T194 PolarHBondContact O-N 3.33Å; I190-T194 PolarHBondContact O-OG1 2.66Å; I190-V207 HydrophobicContact CD1-CG1 4.35Å; I190-V207 HydrophobicContact CG2-CG2 4.35Å; I190-I209 HydrophobicContact CD1-CD1 3.79Å; I190-F232 HydrophobicContact CG2-CZ 4.11Å; I190-L245 HydrophobicContact CD1-CD1 3.89Å; I190-L245 HydrophobicContact CD1-CD2 3.55Å; I190-L245 HydrophobicContact CD1-CG 4.39Å |
| 191 | N | 95.2 | Very high | 96.3 | Very high | 39 Ų | 39 | 49 Ų | 49 | 21% | 0.209 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63 | -40.2 | 175.6 | -68.8 | -25 | 0 | 0 | 0 | 110.8 | S187 L188 Y193 T194 E195 | S187-N191 WeakPolarHBondContact O-CB 3.48Å; S187-N191 PolarHBondContact O-N 3.18Å; S187-N191 PolarHBondContact O-ND2 3.46Å; S187-N191 VanDerWaalsContact O-ND2 3.12Å; S187-N191 PolarHBondContact OG-ND2 3.45Å; L188-N191 PolarHBondContact O-N 3.33Å; N191-Y193 VanDerWaalsContact C-N 3.34Å; N191-Y193 PolarHBondContact O-N 3.03Å; N191-T194 CarbonylContact O-C 3.57Å; N191-T194 WeakPolarHBondContact O-CA 3.42Å; N191-T194 WeakPolarHBondContact O-CB 3.49Å; N191-T194 PolarHBondContact O-N 2.72Å; N191-E195 WeakPolarHBondContact O-CG 3.43Å; N191-E195 PolarHBondContact O-N 3.32Å |
| 192 | N | 97.6 | Very high | 96.2 | Very high | 49 Ų | 49 | 48.5 Ų | 48.5 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 176 | -172 | -97.7 | 0 | 0 | 0 | 112.8 | K179 F183 L188 L189 I190 A196 | K179-N192 WeakPolarHBondContact CD-OD1 3.23Å; K179-N192 VanDerWaalsContact CE-OD1 3.22Å; K179-N192 WeakPolarHBondContact CE-OD1 3.47Å; K179-N192 PolarHBondContact NZ-OD1 3.02Å; F183-N192 HydrophobicContact CE1-CB 3.66Å; F183-N192 HydrophobicContact CZ-CB 4.01Å; L188-N192 WeakPolarHBondContact O-CB 3.46Å; L188-N192 PolarHBondContact O-N 3.23Å; L189-N192 WeakPolarHBondContact O-CB 3.3Å; L189-N192 PolarHBondContact O-N 3.22Å; I190-N192 VanDerWaalsContact C-N 3.31Å; I190-N192 PolarHBondContact O-N 3.06Å; N192-A196 WeakPolarHBondContact O-CB 3.31Å; N192-A196 PolarHBondContact O-N 2.93Å; N192-A196 VanDerWaalsContact O-N 3.1Å |
| 193 | Y | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 168.7 | -81.8 | -77.8 | 0 | 0 | 0 | 112.4 | M140 F142 V155 A167 L176 M177 K179 L189 I190 N191 A196 Y197 | M140-Y193 HydrophobicContact CE-CE2 3.9Å; F142-Y193 HydrophobicContact CE1-CD2 4.38Å; F142-Y193 HydrophobicContact CE1-CG 4.03Å; F142-Y193 HydrophobicContact CE2-CD1 4.21Å; F142-Y193 HydrophobicContact CE2-CD2 4.37Å; F142-Y193 HydrophobicContact CE2-CE1 4.43Å; F142-Y193 HydrophobicContact CE2-CG 4.18Å; F142-Y193 HydrophobicContact CZ-CD1 4.1Å; F142-Y193 AromaticContact CZ-CD2 3.68Å; F142-Y193 HydrophobicContact CZ-CD2 3.68Å; F142-Y193 HydrophobicContact CZ-CE2 4.21Å; F142-Y193 AromaticContact CZ-CG 3.6Å; F142-Y193 HydrophobicContact CZ-CG 3.6Å; V155-Y193 HydrophobicContact CG1-CE1 4.32Å; V155-Y193 HydrophobicContact CG2-CE2 4.46Å; A167-Y193 HydrophobicContact CB-CE2 4.22Å; A167-Y193 WeakPolarHBondContact CB-OH 3.46Å; L176-Y193 HydrophobicContact CD2-CD1 4.04Å; M177-Y193 PolarHBondContact O-OH 3.02Å; K179-Y193 HydrophobicContact CG-CE2 3.7Å; L189-Y193 HydrophobicContact CD1-CD2 4.22Å; L189-Y193 HydrophobicContact CD1-CE2 3.84Å; L189-Y193 HydrophobicContact CG-CD2 4.44Å; L189-Y193 HydrophobicContact CG-CE2 4.28Å; L189-Y193 WeakPolarHBondContact O-CD2 3.21Å; L189-Y193 PolarHBondContact O-N 3.28Å; I190-Y193 PolarHBondContact O-N 2.81Å; N191-Y193 VanDerWaalsContact C-N 3.34Å; N191-Y193 PolarHBondContact O-N 3.03Å; Y193-A196 WeakPolarHBondContact O-CB 3.48Å; Y193-A196 PolarHBondContact O-N 3.42Å; Y193-Y197 WeakPolarHBondContact O-CD2 3.42Å; Y193-Y197 PolarHBondContact O-N 3.34Å |
| 194 | T | 94.8 | Very high | 95.9 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.3 | -45.2 | -179.2 | -57 | 0 | 0 | 0 | 0 | 110.9 | I190 N191 Y197 H198 L204 | I190-T194 WeakPolarHBondContact O-CB 3.47Å; I190-T194 PolarHBondContact O-N 3.33Å; I190-T194 PolarHBondContact O-OG1 2.66Å; N191-T194 CarbonylContact O-C 3.57Å; N191-T194 WeakPolarHBondContact O-CA 3.42Å; N191-T194 WeakPolarHBondContact O-CB 3.49Å; N191-T194 PolarHBondContact O-N 2.72Å; T194-Y197 PolarHBondContact O-N 3.24Å; T194-H198 WeakPolarHBondContact O-CB 3.43Å; T194-H198 PolarHBondContact O-N 3.07Å; T194-L204 HydrophobicContact CG2-CD2 4.03Å; T194-L204 WeakPolarHBondContact OG1-CD2 3.31Å |
| 195 | E | 96.5 | Very high | 95.8 | Very high | 131 Ų | 131 | 47 Ų | 47 | 61% | 0.612 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.4 | -43.2 | 172.5 | -71.4 | 168.6 | -178.7 | 0 | 0 | 111.4 | N191 Y197 H198 G199 | N191-E195 WeakPolarHBondContact O-CG 3.43Å; N191-E195 PolarHBondContact O-N 3.32Å; E195-Y197 PolarHBondContact O-N 2.92Å; E195-H198 PolarHBondContact O-N 3.46Å; E195-G199 PolarHBondContact O-N 3.32Å |
| 196 | A | 97.3 | Very high | 95.8 | Very high | 8 Ų | 8 | 48 Ų | 48 | 7% | 0.066 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.5 | -41.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N175 L176 N192 Y193 G199 H200 | N175-A196 HydrophobicContact CB-CB 4.08Å; N175-A196 WeakPolarHBondContact ND2-CB 2.91Å; N175-A196 WeakPolarHBondContact O-CB 3.45Å; L176-A196 HydrophobicContact CD2-CB 3.61Å; L176-A196 HydrophobicContact CG-CB 4.23Å; N192-A196 WeakPolarHBondContact O-CB 3.31Å; N192-A196 PolarHBondContact O-N 2.93Å; N192-A196 VanDerWaalsContact O-N 3.1Å; Y193-A196 WeakPolarHBondContact O-CB 3.48Å; Y193-A196 PolarHBondContact O-N 3.42Å; A196-G199 PolarHBondContact O-N 3.03Å; A196-H200 PolarHBondContact O-CD2 2.91Å; A196-H200 PolarHBondContact O-N 2.85Å |
| 197 | Y | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 173 | -84.4 | -67.4 | 0 | 0 | 0 | 111.7 | F142 H153 L176 Y193 T194 E195 G199 H200 Y201 H202 L204 V335 | F142-Y197 HydrophobicContact CB-CE2 3.68Å; F142-Y197 WeakPolarHBondContact CB-OH 3.48Å; F142-Y197 HydrophobicContact CD1-CD2 4.4Å; F142-Y197 AromaticContact CD1-CE2 3.7Å; F142-Y197 HydrophobicContact CD1-CE2 3.7Å; F142-Y197 HydrophobicContact CD2-CE2 4.3Å; F142-Y197 HydrophobicContact CE1-CE2 4.46Å; F142-Y197 AromaticContact CG-CE2 3.63Å; F142-Y197 HydrophobicContact CG-CE2 3.63Å; H153-Y197 WeakPolarHBondContact CB-OH 3.48Å; H153-Y197 PolarHBondContact ND1-OH 3.44Å; L176-Y197 HydrophobicContact CD1-CD1 4.11Å; L176-Y197 HydrophobicContact CD1-CE1 3.87Å; L176-Y197 HydrophobicContact CD2-CD1 4.14Å; L176-Y197 HydrophobicContact CD2-CD2 3.78Å; L176-Y197 HydrophobicContact CD2-CE1 4.05Å; L176-Y197 HydrophobicContact CD2-CE2 3.64Å; L176-Y197 HydrophobicContact CD2-CG 3.99Å; Y193-Y197 WeakPolarHBondContact O-CD2 3.42Å; Y193-Y197 PolarHBondContact O-N 3.34Å; T194-Y197 PolarHBondContact O-N 3.24Å; E195-Y197 PolarHBondContact O-N 2.92Å; Y197-G199 VanDerWaalsContact C-N 3.32Å; Y197-G199 PolarHBondContact O-N 3.23Å; Y197-H200 CarbonylContact O-C 3.59Å; Y197-H200 PolarHBondContact O-N 2.95Å; Y197-Y201 PolarHBondContact O-N 3.05Å; Y197-H202 CarbonylContact C-O 3.54Å; Y197-H202 HydrophobicContact CD1-CB 3.8Å; Y197-H202 HydrophobicContact CG-CB 4.44Å; Y197-H202 WeakPolarHBondContact O-CB 3.46Å; Y197-H202 PolarHBondContact O-N 2.82Å; Y197-L204 HydrophobicContact CD2-CD1 4.1Å; Y197-L204 HydrophobicContact CE2-CD1 4.34Å; Y197-V335 HydrophobicContact CE1-CG1 4.1Å; Y197-V335 HydrophobicContact CE1-CG2 3.7Å |
| 198 | H | 95.4 | Very high | 95.8 | Very high | 148 Ų | 148 | 50.4 Ų | 50.4 | 69% | 0.685 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.7 | -41.6 | 178.8 | -175.1 | -90.8 | 0 | 0 | 0 | 111.9 | T194 E195 H200 Y201 | T194-H198 WeakPolarHBondContact O-CB 3.43Å; T194-H198 PolarHBondContact O-N 3.07Å; E195-H198 PolarHBondContact O-N 3.46Å; H198-H200 PolarHBondContact O-N 3.32Å; H198-Y201 WeakPolarHBondContact O-CA 3.38Å; H198-Y201 PolarHBondContact O-N 3.22Å |
| 199 | G | 96.2 | Very high | 95.8 | Very high | 50 Ų | 50 | 46.4 Ų | 46.4 | 52% | 0.515 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.6 | -21.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E195 A196 Y197 | E195-G199 PolarHBondContact O-N 3.32Å; A196-G199 PolarHBondContact O-N 3.03Å; Y197-G199 VanDerWaalsContact C-N 3.32Å; Y197-G199 PolarHBondContact O-N 3.23Å |
| 200 | H | 94.9 | Very high | 95.7 | Very high | 29 Ų | 29 | 46.4 Ų | 46.4 | 13% | 0.134 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 25.1 | 170.3 | -63.1 | -63.1 | 0 | 0 | 0 | 112 | R173 N175 A196 Y197 H198 H202 I337 | R173-H200 PolarHBondContact NH1-CE1 3.36Å; R173-H200 PolarHBondContact NH1-ND1 3.41Å; N175-H200 PolarHBondContact ND2-NE2 3.29Å; N175-H200 PolarHBondContact OD1-NE2 3.47Å; A196-H200 PolarHBondContact O-CD2 2.91Å; A196-H200 PolarHBondContact O-N 2.85Å; Y197-H200 CarbonylContact O-C 3.59Å; Y197-H200 PolarHBondContact O-N 2.95Å; H198-H200 PolarHBondContact O-N 3.32Å; H200-H202 PolarHBondContact O-CD2 2.58Å; H200-H202 PolarHBondContact O-N 3.25Å; H200-I337 HydrophobicContact CB-CD1 3.99Å; H200-I337 WeakPolarHBondContact O-CD1 3.14Å |
| 201 | Y | 95.6 | Very high | 95.6 | Very high | 184 Ų | 184 | 48.9 Ų | 48.9 | 72% | 0.722 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 16.1 | 176.8 | -50.4 | -76.5 | 0 | 0 | 0 | 115.3 | F146 Y197 H198 | F146-Y201 WeakPolarHBondContact CD2-O 3.37Å; Y197-Y201 PolarHBondContact O-N 3.05Å; H198-Y201 WeakPolarHBondContact O-CA 3.38Å; H198-Y201 PolarHBondContact O-N 3.22Å |
| 202 | H | 95.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -88.6 | 130.8 | 175.6 | -78.8 | -92.5 | 0 | 0 | 0 | 110.8 | S144 E145 F146 F151 Y197 H200 V335 | S144-H202 PolarHBondContact OG-ND1 3.26Å; E145-H202 CarbonylContact O-C 3.47Å; E145-H202 WeakPolarHBondContact O-CA 3.11Å; F146-H202 WeakPolarHBondContact CB-CE1 3.38Å; F146-H202 WeakPolarHBondContact CB-ND1 3.26Å; F151-H202 AromaticContact CD2-CE1 3.41Å; F151-H202 VanDerWaalsContact CD2-CE1 3.41Å; F151-H202 WeakPolarHBondContact CD2-CE1 3.47Å; F151-H202 AromaticContact CD2-ND1 3.76Å; F151-H202 AromaticContact CE2-CE1 3.89Å; F151-H202 AromaticContact CG-CE1 3.82Å; Y197-H202 CarbonylContact C-O 3.54Å; Y197-H202 HydrophobicContact CD1-CB 3.8Å; Y197-H202 HydrophobicContact CG-CB 4.44Å; Y197-H202 WeakPolarHBondContact O-CB 3.46Å; Y197-H202 PolarHBondContact O-N 2.82Å; H200-H202 PolarHBondContact O-CD2 2.58Å; H200-H202 PolarHBondContact O-N 3.25Å; H202-V335 WeakPolarHBondContact NE2-CG1 3.36Å |
| 203 | K | 93.8 | Very high | 95.5 | Very high | 130 Ų | 130 | 47.2 Ų | 47.2 | 57% | 0.565 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 117.2 | 167.2 | -177.6 | 178.9 | -178.9 | 177.8 | 0 | 109.8 | S144 E145 L205 | S144-K203 CarbonylContact C-O 3.5Å; S144-K203 WeakPolarHBondContact CA-O 3.4Å; S144-K203 WeakPolarHBondContact CB-O 3.41Å; E145-K203 PolarHBondContact N-O 3.15Å; E145-K203 PolarHBondContact O-N 3.4Å; K203-L205 PolarHBondContact O-N 2.74Å |
| 204 | L | 93.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 122.7 | 175.9 | -169.3 | 63.8 | 0 | 0 | 0 | 110.4 | F142 T194 Y197 V207 F232 | F142-L204 HydrophobicContact CB-CD1 4.09Å; F142-L204 HydrophobicContact CD1-CD1 4.07Å; T194-L204 HydrophobicContact CG2-CD2 4.03Å; T194-L204 WeakPolarHBondContact OG1-CD2 3.31Å; Y197-L204 HydrophobicContact CD2-CD1 4.1Å; Y197-L204 HydrophobicContact CE2-CD1 4.34Å; L204-V207 HydrophobicContact CD1-CG2 4.36Å; L204-V207 HydrophobicContact CD2-CG2 3.79Å; L204-V207 HydrophobicContact CG-CG2 4.36Å; L204-F232 HydrophobicContact CD2-CD2 4.01Å; L204-F232 HydrophobicContact CD2-CE1 4.42Å; L204-F232 HydrophobicContact CD2-CE2 3.81Å; L204-F232 HydrophobicContact CD2-CG 4.43Å; L204-F232 HydrophobicContact CD2-CZ 4.02Å; L204-F232 HydrophobicContact CG-CD2 4.15Å; L204-F232 HydrophobicContact CG-CE2 4.41Å; L204-F232 WeakPolarHBondContact O-CB 3.44Å |
| 205 | L | 93.8 | Very high | 95.2 | Very high | 27 Ų | 27 | 49 Ų | 49 | 14% | 0.141 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -45.3 | -179.5 | -59.7 | -178.7 | 0 | 0 | 0 | 111.8 | V143 E145 V150 K203 F232 | V143-L205 HydrophobicContact CG1-CD1 4.34Å; V143-L205 WeakPolarHBondContact O-CA 3.41Å; V143-L205 WeakPolarHBondContact O-CB 3.36Å; V143-L205 PolarHBondContact O-N 3.32Å; E145-L205 HydrophobicContact CB-CD1 4.1Å; E145-L205 HydrophobicContact CB-CD2 4.16Å; E145-L205 HydrophobicContact CB-CG 4.14Å; V150-L205 HydrophobicContact CG2-CD1 4.29Å; K203-L205 PolarHBondContact O-N 2.74Å; L205-F232 PolarHBondContact O-N 2.85Å |
| 206 | R | 94.7 | Very high | 94.9 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 23% | 0.226 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 154.3 | 178.5 | 59.7 | 178.4 | 172 | -171 | -9.4 | 112.7 | V143 I230 | V143-R206 HydrophobicContact CB-CG 3.76Å; V143-R206 HydrophobicContact CG2-CG 3.95Å; V143-R206 PolarHBondContact N-O 2.94Å; V143-R206 PolarHBondContact O-N 2.86Å; R206-I230 CarbonylContact C-O 3.52Å; R206-I230 WeakPolarHBondContact CA-O 3.1Å; R206-I230 WeakPolarHBondContact CB-O 3.22Å |
| 207 | V | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.7 | 169 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | S141 F142 I190 L204 I209 V229 I230 F232 | S141-V207 CarbonylContact O-C 3.36Å; S141-V207 WeakPolarHBondContact O-CA 3.24Å; F142-V207 HydrophobicContact CD1-CG1 4.37Å; F142-V207 HydrophobicContact CD1-CG2 3.56Å; F142-V207 HydrophobicContact CE1-CG1 4.14Å; F142-V207 HydrophobicContact CE1-CG2 3.76Å; I190-V207 HydrophobicContact CD1-CG1 4.35Å; I190-V207 HydrophobicContact CG2-CG2 4.35Å; L204-V207 HydrophobicContact CD1-CG2 4.36Å; L204-V207 HydrophobicContact CD2-CG2 3.79Å; L204-V207 HydrophobicContact CG-CG2 4.36Å; V207-I209 HydrophobicContact CG1-CG1 4.07Å; V207-V229 WeakPolarHBondContact O-CA 3.4Å; V207-I230 PolarHBondContact N-O 3.34Å; V207-I230 PolarHBondContact O-N 3.05Å; V207-F232 HydrophobicContact CB-CE2 4.15Å; V207-F232 HydrophobicContact CG2-CD2 4.38Å; V207-F232 HydrophobicContact CG2-CE2 3.57Å; V207-F232 HydrophobicContact CG2-CZ 4.32Å |
| 208 | K | 95.6 | Very high | 94.3 | Very high | 66 Ų | 66 | 61.2 Ų | 61.2 | 29% | 0.287 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.4 | 173.6 | -51.9 | -178.3 | 177.1 | -174.1 | 0 | 108.9 | M140 S141 V228 V229 | M140-K208 CarbonylContact C-O 3.47Å; M140-K208 WeakPolarHBondContact CA-O 3.46Å; S141-K208 PolarHBondContact N-O 3.39Å; S141-K208 PolarHBondContact O-N 2.93Å; K208-V228 CarbonylContact C-O 3.53Å; K208-V228 WeakPolarHBondContact CA-O 3.08Å; K208-V229 HydrophobicContact CG-CG1 4.32Å; K208-V229 HydrophobicContact CG-CG2 4.19Å |
| 209 | I | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124 | -178.6 | -51.8 | 175.1 | 0 | 0 | 0 | 106.9 | F138 T139 L186 I190 V207 G227 V228 I230 L245 Y248 | F138-I209 HydrophobicContact CD2-CG2 3.67Å; F138-I209 HydrophobicContact CE2-CG2 4.1Å; T139-I209 CarbonylContact O-C 3.55Å; T139-I209 WeakPolarHBondContact O-CA 3.4Å; L186-I209 HydrophobicContact CD2-CD1 4.13Å; I190-I209 HydrophobicContact CD1-CD1 3.79Å; V207-I209 HydrophobicContact CG1-CG1 4.07Å; I209-G227 CarbonylContact O-C 3.57Å; I209-G227 WeakPolarHBondContact O-CA 3.42Å; I209-G227 PolarHBondContact O-N 3.09Å; I209-V228 HydrophobicContact CB-CB 4.2Å; I209-V228 PolarHBondContact N-O 2.83Å; I209-V228 PolarHBondContact O-N 3.04Å; I209-I230 HydrophobicContact CD1-CD1 4.13Å; I209-L245 HydrophobicContact CD1-CD2 3.54Å; I209-Y248 HydrophobicContact CG2-CD1 4.25Å; I209-Y248 HydrophobicContact CG2-CE1 3.63Å; I209-Y248 HydrophobicContact CG2-CE2 4.03Å |
| 210 | G | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -71.2 | 174.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | T139 P224 Y248 | T139-G210 PolarHBondContact O-N 3.06Å; G210-P224 CarbonylContact C-O 3.57Å; G210-P224 WeakPolarHBondContact CA-O 3.45Å; G210-Y248 WeakPolarHBondContact O-CE2 3.4Å; G210-Y248 PolarHBondContact O-OH 3.34Å | ||
| 211 | L | 94.3 | Very high | 93.9 | Very high | 52 Ų | 52 | 65 Ų | 65 | 27% | 0.272 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 165.2 | 167.4 | -59.8 | 172.6 | 0 | 0 | 0 | 110.2 | I213 P224 F251 | L211-I213 PolarHBondContact O-N 2.61Å; L211-P224 HydrophobicContact CB-CB 3.82Å; L211-P224 HydrophobicContact CB-CG 3.8Å; L211-P224 HydrophobicContact CD1-CB 4.2Å; L211-P224 HydrophobicContact CG-CB 4.32Å; L211-P224 PolarHBondContact N-O 2.96Å; L211-F251 HydrophobicContact CD2-CE1 4.03Å |
| 212 | P | 94.6 | Very high | 93.9 | Very high | 43 Ų | 43 | 62.1 Ų | 62.1 | 28% | 0.279 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 136 | 172.5 | -24.3 | 34.3 | 0 | 0 | 0 | 111.4 | R137 F251 L252 | R137-P212 CarbonylContact O-C 3.57Å; R137-P212 WeakPolarHBondContact O-CA 3.15Å; P212-F251 VanDerWaalsContact CD-CE1 3.45Å; P212-F251 HydrophobicContact CG-CD1 4.38Å; P212-F251 HydrophobicContact CG-CE1 3.81Å; P212-L252 HydrophobicContact CB-CD2 4.25Å; P212-L252 HydrophobicContact CG-CD2 3.62Å; P212-L252 HydrophobicContact CG-CG 4.48Å |
| 213 | I | 95.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 62.2 Ų | 62.2 | 5% | 0.051 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -94.3 | 125 | -179.2 | -53.7 | 169.4 | 0 | 0 | 0 | 108.2 | I126 R137 T139 L156 L211 I223 | I126-I213 HydrophobicContact CD1-CD1 3.56Å; I126-I213 HydrophobicContact CG1-CD1 3.75Å; I126-I213 HydrophobicContact CG2-CD1 4.5Å; I126-I213 HydrophobicContact CG2-CG2 4.1Å; R137-I213 HydrophobicContact CB-CB 4.5Å; R137-I213 PolarHBondContact NH2-O 3.43Å; R137-I213 PolarHBondContact O-N 3.16Å; T139-I213 HydrophobicContact CG2-CD1 4.18Å; L156-I213 HydrophobicContact CD1-CD1 4.01Å; L211-I213 PolarHBondContact O-N 2.61Å; I213-I223 HydrophobicContact CD1-CG2 4.12Å; I213-I223 HydrophobicContact CG1-CG2 4.4Å |
| 214 | S | 93.4 | Very high | 93.9 | Very high | 48 Ų | 48 | 57.6 Ų | 57.6 | 34% | 0.336 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 138.8 | 177.9 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | R137 R216 P217 | R137-S214 PolarHBondContact NH2-O 2.85Å; S214-R216 PolarHBondContact OG-N 3.43Å; S214-R216 VanDerWaalsContact OG-N 3.1Å; S214-R216 PolarHBondContact OG-O 2.74Å; S214-P217 WeakPolarHBondContact O-CD 3.31Å |
| 215 | H | 93.2 | Very high | 93.8 | Very high | 24 Ų | 24 | 59.1 Ų | 59.1 | 11% | 0.111 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -75.1 | -18.2 | 171 | -75.1 | -103.3 | 0 | 0 | 0 | 112.2 | T129 Q130 G131 Q132 L135 R137 | T129-H215 PolarHBondContact O-CE1 3.27Å; T129-H215 PolarHBondContact O-ND1 3.45Å; Q130-H215 WeakPolarHBondContact CG-O 3.44Å; Q130-H215 PolarHBondContact NE2-O 3.25Å; G131-H215 PolarHBondContact N-ND1 2.93Å; Q132-H215 PolarHBondContact N-ND1 2.98Å; Q132-H215 PolarHBondContact O-CE1 3.13Å; L135-H215 PolarHBondContact O-CE1 3.4Å; L135-H215 PolarHBondContact O-NE2 3.12Å; R137-H215 PolarHBondContact NE-CE1 3.44Å; R137-H215 PolarHBondContact NE-NE2 3.35Å |
| 216 | R | 91.3 | Very high | 93.5 | Very high | 182 Ų | 182 | 66.9 Ų | 66.9 | 69% | 0.687 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -128.8 | 67.9 | 174.8 | -60.9 | -169.9 | -176.5 | 92 | 9.6 | 109 | E133 S214 | E133-R216 IonicContact OE1-CZ 3.01Å; E133-R216 IonicContact OE1-NH1 2.66Å; E133-R216 PolarHBondContact OE1-NH1 3.49Å; E133-R216 IonicContact OE1-NH2 2.72Å; E133-R216 PolarHBondContact OE1-NH2 2.87Å; S214-R216 PolarHBondContact OG-N 3.43Å; S214-R216 VanDerWaalsContact OG-N 3.1Å; S214-R216 PolarHBondContact OG-O 2.74Å |
| 217 | P | 89.9 | Confident | 93.1 | Very high | 21 Ų | 21 | 65 Ų | 65 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | trans | -70.6 | 150.5 | 179.3 | 31.8 | -35.2 | 0 | 0 | 0 | 110.5 | I99 S214 E221 | I99-P217 HydrophobicContact CB-CG 4.28Å; I99-P217 HydrophobicContact CG1-CB 3.83Å; I99-P217 HydrophobicContact CG1-CG 3.91Å; I99-P217 HydrophobicContact CG2-CG 3.77Å; S214-P217 WeakPolarHBondContact O-CD 3.31Å; P217-E221 VanDerWaalsContact CA-OE2 3.26Å; P217-E221 WeakPolarHBondContact CA-OE2 3.48Å; P217-E221 HydrophobicContact CB-CB 4.27Å | ||
| 218 | Y | 91.6 | Very high | 92.9 | Very high | 193 Ų | 193 | 65.2 Ų | 65.2 | 76% | 0.757 | 31% | 0.309 | S | S | * | . | trans | -67.9 | 151.4 | 169.6 | -62.9 | -79.7 | 0 | 0 | 0 | 110.3 | L220 E221 | Y218-L220 PolarHBondContact O-N 2.99Å; Y218-L220 VanDerWaalsContact O-N 3.09Å; Y218-E221 PolarHBondContact N-OE2 3.38Å; Y218-E221 WeakPolarHBondContact O-CB 3.42Å; Y218-E221 PolarHBondContact O-N 2.98Å | ||
| 219 | M | 88.7 | Confident | 92.7 | Very high | 103 Ų | 103 | 64.8 Ų | 64.8 | 51% | 0.507 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -41.9 | -174.6 | -69.2 | -171.5 | -76.9 | 0 | 0 | 114.1 | I100 W310 | I100-M219 HydrophobicContact CD1-SD 4.42Å; I100-M219 WeakPolarHBondContact CG2-O 3.04Å; I100-M219 PolarHBondContact N-O 3.16Å; I100-M219 VanDerWaalsContact N-O 3.15Å; M219-W310 HydrophobicContact CG-CH2 3.65Å; M219-W310 HydrophobicContact CG-CZ2 3.31Å; M219-W310 HydrophobicContact SD-CH2 4.07Å; M219-W310 HydrophobicContact SD-CZ2 3.71Å |
| 220 | L | 94.4 | Very high | 92.5 | Very high | 140 Ų | 140 | 64.8 Ų | 64.8 | 73% | 0.733 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -0.3 | -177.4 | -58.8 | -178.5 | 0 | 0 | 0 | 113.5 | Y218 | Y218-L220 PolarHBondContact O-N 2.99Å; Y218-L220 VanDerWaalsContact O-N 3.09Å |
| 221 | E | 93.2 | Very high | 92.2 | Very high | 64 Ų | 64 | 65.1 Ų | 65.1 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | trans | -61.5 | 153.9 | 174 | -164.3 | 176.5 | 153.3 | 0 | 0 | 110.1 | S98 I99 P217 Y218 | S98-E221 CarbonylContact C-O 3.56Å; S98-E221 VanDerWaalsContact CA-O 3.25Å; S98-E221 WeakPolarHBondContact CA-O 3.4Å; I99-E221 WeakPolarHBondContact CG1-O 3.28Å; I99-E221 PolarHBondContact N-O 2.63Å; P217-E221 VanDerWaalsContact CA-OE2 3.26Å; P217-E221 WeakPolarHBondContact CA-OE2 3.48Å; P217-E221 HydrophobicContact CB-CB 4.27Å; Y218-E221 PolarHBondContact N-OE2 3.38Å; Y218-E221 WeakPolarHBondContact O-CB 3.42Å; Y218-E221 PolarHBondContact O-N 2.98Å | ||
| 222 | K | 95.7 | Very high | 91.7 | Very high | 123 Ų | 123 | 65.5 Ų | 65.5 | 54% | 0.535 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -118.9 | 151.7 | 178.6 | -59.8 | -176.5 | -179.7 | -162.1 | 0 | 109.1 | G96 P224 | G96-K222 VanDerWaalsContact O-CD 3.29Å; G96-K222 WeakPolarHBondContact O-CD 3.23Å; G96-K222 WeakPolarHBondContact O-CE 3.45Å; G96-K222 PolarHBondContact O-NZ 3.46Å; K222-P224 WeakPolarHBondContact O-CD 3.45Å |
| 223 | I | 94.9 | Very high | 90.9 | Very high | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | trans | -59.8 | 125.3 | 172.7 | -64.6 | 167.9 | 0 | 0 | 0 | 108.9 | I99 L102 I123 I126 T139 I213 W225 | I99-I223 HydrophobicContact CD1-CG1 3.78Å; L102-I223 HydrophobicContact CD1-CD1 3.54Å; L102-I223 HydrophobicContact CD1-CG1 4.1Å; I123-I223 HydrophobicContact CD1-CD1 3.3Å; I126-I223 HydrophobicContact CD1-CD1 3.62Å; I126-I223 HydrophobicContact CD1-CG1 4.36Å; T139-I223 HydrophobicContact CG2-CG2 4.04Å; I213-I223 HydrophobicContact CD1-CG2 4.12Å; I213-I223 HydrophobicContact CG1-CG2 4.4Å; I223-W225 VanDerWaalsContact C-N 3.33Å; I223-W225 HydrophobicContact CB-CZ2 4.11Å; I223-W225 HydrophobicContact CD1-CZ2 3.93Å; I223-W225 HydrophobicContact CG2-CD2 3.94Å; I223-W225 HydrophobicContact CG2-CE3 4.44Å; I223-W225 HydrophobicContact CG2-CG 4.34Å; I223-W225 HydrophobicContact CG2-CH2 4.39Å; I223-W225 HydrophobicContact CG2-CZ2 3.89Å; I223-W225 PolarHBondContact O-N 2.89Å; I223-W225 PolarHBondContact O-NE1 3.41Å | ||
| 224 | P | 94.5 | Very high | 90 | Very high | 33 Ų | 33 | 72.4 Ų | 72.4 | 21% | 0.214 | 34% | 0.343 | C | S | . | . | trans | -81.2 | 78.3 | -177.5 | 33.6 | -37.4 | 0 | 0 | 0 | 111.2 | G210 L211 K222 K226 | G210-P224 CarbonylContact C-O 3.57Å; G210-P224 WeakPolarHBondContact CA-O 3.45Å; L211-P224 HydrophobicContact CB-CB 3.82Å; L211-P224 HydrophobicContact CB-CG 3.8Å; L211-P224 HydrophobicContact CD1-CB 4.2Å; L211-P224 HydrophobicContact CG-CB 4.32Å; L211-P224 PolarHBondContact N-O 2.96Å; K222-P224 WeakPolarHBondContact O-CD 3.45Å; P224-K226 PolarHBondContact O-N 3.15Å; P224-K226 VanDerWaalsContact O-N 3.08Å | ||
| 225 | W | 93 | Very high | 89 | Confident | 47 Ų | 47 | 73.6 Ų | 73.6 | 18% | 0.178 | 36% | 0.363 | C | S | . | . | trans | -64.5 | -10.8 | 179.7 | -57 | 97.9 | 0 | 0 | 0 | 115.3 | R95 L119 I123 T139 V154 I223 | R95-W225 HydrophobicContact CB-CZ2 4.27Å; R95-W225 HydrophobicContact CG-CZ2 4.24Å; R95-W225 PolarHBondContact O-NE1 2.64Å; L119-W225 HydrophobicContact CD1-CH2 3.76Å; L119-W225 HydrophobicContact CD1-CZ2 4.46Å; L119-W225 HydrophobicContact CD1-CZ3 4.38Å; I123-W225 HydrophobicContact CD1-CH2 3.94Å; I123-W225 HydrophobicContact CD1-CZ2 3.84Å; T139-W225 HydrophobicContact CG2-CE3 3.67Å; T139-W225 HydrophobicContact CG2-CH2 4.04Å; T139-W225 HydrophobicContact CG2-CZ3 3.39Å; V154-W225 HydrophobicContact CG2-CZ3 4.19Å; I223-W225 VanDerWaalsContact C-N 3.33Å; I223-W225 HydrophobicContact CB-CZ2 4.11Å; I223-W225 HydrophobicContact CD1-CZ2 3.93Å; I223-W225 HydrophobicContact CG2-CD2 3.94Å; I223-W225 HydrophobicContact CG2-CE3 4.44Å; I223-W225 HydrophobicContact CG2-CG 4.34Å; I223-W225 HydrophobicContact CG2-CH2 4.39Å; I223-W225 HydrophobicContact CG2-CZ2 3.89Å; I223-W225 PolarHBondContact O-N 2.89Å; I223-W225 PolarHBondContact O-NE1 3.41Å | ||
| 226 | K | 86 | Confident | 88.5 | Confident | 190 Ų | 190 | 75.9 Ų | 75.9 | 83% | 0.826 | 37% | 0.371 | S | S | * | . | trans | -111.1 | 96.9 | -174.2 | -63.1 | -177.5 | -178.7 | -177.9 | 0 | 109.8 | P224 | P224-K226 PolarHBondContact O-N 3.15Å; P224-K226 VanDerWaalsContact O-N 3.08Å | ||
| 227 | G | 86.3 | Confident | 88.2 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 22% | 0.216 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -120.1 | -86.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I209 | I209-G227 CarbonylContact O-C 3.57Å; I209-G227 WeakPolarHBondContact O-CA 3.42Å; I209-G227 PolarHBondContact O-N 3.09Å |
| 228 | V | 92.1 | Very high | 88 | Confident | 4 Ų | 4 | 77 Ų | 77 | 2% | 0.024 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 144 | -175.6 | -172.3 | 0 | 0 | 0 | 0 | 110.5 | K208 I209 I230 I244 Y248 L264 | K208-V228 CarbonylContact C-O 3.53Å; K208-V228 WeakPolarHBondContact CA-O 3.08Å; I209-V228 HydrophobicContact CB-CB 4.2Å; I209-V228 PolarHBondContact N-O 2.83Å; I209-V228 PolarHBondContact O-N 3.04Å; V228-I230 HydrophobicContact CG1-CG1 4.07Å; V228-I244 HydrophobicContact CG1-CG2 3.3Å; V228-Y248 HydrophobicContact CG2-CD2 3.49Å; V228-Y248 VanDerWaalsContact CG2-CD2 3.49Å; V228-Y248 HydrophobicContact CG2-CE2 4.24Å; V228-Y248 HydrophobicContact CG2-CG 4.06Å; V228-L264 HydrophobicContact CB-CD2 4.42Å; V228-L264 HydrophobicContact CG1-CD2 4.26Å; V228-L264 HydrophobicContact CG2-CD1 3.97Å; V228-L264 HydrophobicContact CG2-CD2 3.64Å; V228-L264 HydrophobicContact CG2-CG 4.45Å |
| 229 | V | 92.4 | Very high | 87.9 | Confident | 57 Ų | 57 | 75.1 Ų | 75.1 | 35% | 0.345 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.1 | 170.6 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | V207 K208 P231 | V207-V229 WeakPolarHBondContact O-CA 3.4Å; K208-V229 HydrophobicContact CG-CG1 4.32Å; K208-V229 HydrophobicContact CG-CG2 4.19Å; V229-P231 WeakPolarHBondContact O-CD 3.33Å |
| 230 | I | 91.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 104.3 | 179.4 | -59.5 | 169.9 | 0 | 0 | 0 | 107.8 | R206 V207 I209 V228 F232 I241 I244 L245 | R206-I230 CarbonylContact C-O 3.52Å; R206-I230 WeakPolarHBondContact CA-O 3.1Å; R206-I230 WeakPolarHBondContact CB-O 3.22Å; V207-I230 PolarHBondContact N-O 3.34Å; V207-I230 PolarHBondContact O-N 3.05Å; I209-I230 HydrophobicContact CD1-CD1 4.13Å; V228-I230 HydrophobicContact CG1-CG1 4.07Å; I230-F232 HydrophobicContact CB-CE2 4.37Å; I230-F232 HydrophobicContact CG2-CD2 4.3Å; I230-F232 HydrophobicContact CG2-CE2 3.82Å; I230-F232 HydrophobicContact CG2-CZ 4.21Å; I230-I241 HydrophobicContact CD1-CG2 4.45Å; I230-I241 HydrophobicContact CG2-CD1 4.26Å; I230-I241 HydrophobicContact CG2-CG1 3.96Å; I230-I241 HydrophobicContact CG2-CG2 4.06Å; I230-I244 HydrophobicContact CD1-CG2 4.44Å; I230-I244 HydrophobicContact CG1-CG2 4.27Å; I230-L245 HydrophobicContact CD1-CD1 4.18Å; I230-L245 HydrophobicContact CD1-CD2 3.32Å; I230-L245 HydrophobicContact CD1-CG 3.7Å |
| 231 | P | 89.6 | Confident | 87.7 | Confident | 7 Ų | 7 | 67.4 Ų | 67.4 | 5% | 0.045 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 120.6 | 174.1 | 32.1 | -30.3 | 0 | 0 | 0 | 110.4 | V229 N233 K234 Y236 I267 | V229-P231 WeakPolarHBondContact O-CD 3.33Å; P231-N233 VanDerWaalsContact C-N 3.3Å; P231-K234 HydrophobicContact CB-CB 4.08Å; P231-K234 HydrophobicContact CB-CD 4.03Å; P231-K234 HydrophobicContact CB-CG 3.96Å; P231-K234 HydrophobicContact CG-CB 4.03Å; P231-K234 HydrophobicContact CG-CD 4.08Å; P231-K234 HydrophobicContact CG-CG 4.27Å; P231-Y236 HydrophobicContact CG-CD2 3.72Å; P231-Y236 HydrophobicContact CG-CE2 3.45Å; P231-Y236 VanDerWaalsContact CG-CE2 3.45Å; P231-I267 HydrophobicContact CG-CD1 3.62Å |
| 232 | F | 84.8 | Confident | 87.6 | Confident | 59 Ų | 59 | 67 Ų | 67 | 26% | 0.259 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -15 | 176.3 | -75 | -96.8 | 0 | 0 | 0 | 112.1 | I190 L204 L205 V207 I230 I241 | I190-F232 HydrophobicContact CG2-CZ 4.11Å; L204-F232 HydrophobicContact CD2-CD2 4.01Å; L204-F232 HydrophobicContact CD2-CE1 4.42Å; L204-F232 HydrophobicContact CD2-CE2 3.81Å; L204-F232 HydrophobicContact CD2-CG 4.43Å; L204-F232 HydrophobicContact CD2-CZ 4.02Å; L204-F232 HydrophobicContact CG-CD2 4.15Å; L204-F232 HydrophobicContact CG-CE2 4.41Å; L204-F232 WeakPolarHBondContact O-CB 3.44Å; L205-F232 PolarHBondContact O-N 2.85Å; V207-F232 HydrophobicContact CB-CE2 4.15Å; V207-F232 HydrophobicContact CG2-CD2 4.38Å; V207-F232 HydrophobicContact CG2-CE2 3.57Å; V207-F232 HydrophobicContact CG2-CZ 4.32Å; I230-F232 HydrophobicContact CB-CE2 4.37Å; I230-F232 HydrophobicContact CG2-CD2 4.3Å; I230-F232 HydrophobicContact CG2-CE2 3.82Å; I230-F232 HydrophobicContact CG2-CZ 4.21Å; F232-I241 HydrophobicContact CD1-CD1 4.32Å; F232-I241 HydrophobicContact CE1-CD1 4.08Å |
| 233 | N | 76.3 | Confident | 87.4 | Confident | 97 Ų | 97 | 65 Ų | 65 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 5.2 | -177.8 | 68 | -22.2 | 0 | 0 | 0 | 114.9 | P231 | P231-N233 VanDerWaalsContact C-N 3.3Š|
| 234 | K | 76.8 | Confident | 87.2 | Confident | 101 Ų | 101 | 65.6 Ų | 65.6 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -115 | 28.7 | -173.3 | -67.9 | -168.7 | 176.5 | -167.6 | 0 | 114.4 | P231 Y236 I267 | P231-K234 HydrophobicContact CB-CB 4.08Å; P231-K234 HydrophobicContact CB-CD 4.03Å; P231-K234 HydrophobicContact CB-CG 3.96Å; P231-K234 HydrophobicContact CG-CB 4.03Å; P231-K234 HydrophobicContact CG-CD 4.08Å; P231-K234 HydrophobicContact CG-CG 4.27Å; K234-Y236 VanDerWaalsContact C-N 3.31Å; K234-Y236 HydrophobicContact CB-CD2 4.18Å; K234-Y236 HydrophobicContact CB-CE2 4.18Å; K234-Y236 PolarHBondContact O-N 3.3Å; K234-I267 HydrophobicContact CD-CG2 4.21Å |
| 235 | G | 73.5 | Confident | 87.2 | Confident | 73 Ų | 73 | 64.1 Ų | 64.1 | 75% | 0.753 | 33% | 0.33 | S | S | * | . | trans | 71.9 | 17.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | T237 | G235-T237 PolarHBondContact O-N 3.5Š| ||
| 236 | Y | 81.4 | Confident | 87.1 | Confident | 73 Ų | 73 | 64.6 Ų | 64.6 | 29% | 0.286 | 34% | 0.336 | S | S | . | . | trans | -64.8 | 128.9 | 173.4 | -80.8 | -99.2 | 0 | 0 | 0 | 110.2 | P231 K234 D240 I244 I267 | P231-Y236 HydrophobicContact CG-CD2 3.72Å; P231-Y236 HydrophobicContact CG-CE2 3.45Å; P231-Y236 VanDerWaalsContact CG-CE2 3.45Å; K234-Y236 VanDerWaalsContact C-N 3.31Å; K234-Y236 HydrophobicContact CB-CD2 4.18Å; K234-Y236 HydrophobicContact CB-CE2 4.18Å; K234-Y236 PolarHBondContact O-N 3.3Å; Y236-D240 HydrophobicContact CD1-CB 3.82Å; Y236-I244 HydrophobicContact CD1-CD1 4.22Å; Y236-I244 HydrophobicContact CE1-CD1 3.94Å; Y236-I267 HydrophobicContact CE2-CD1 3.89Å; Y236-I267 WeakPolarHBondContact OH-CD1 3.36Å | ||
| 237 | T | 85.4 | Confident | 87.3 | Confident | 73 Ų | 73 | 60.6 Ų | 60.6 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | trans | -72.4 | 157.9 | 172.7 | 71.2 | 0 | 0 | 0 | 0 | 110 | G235 K239 D240 I241 | G235-T237 PolarHBondContact O-N 3.5Å; T237-K239 PolarHBondContact O-N 3.3Å; T237-K239 VanDerWaalsContact O-N 3.15Å; T237-K239 PolarHBondContact OG1-N 3.5Å; T237-D240 WeakPolarHBondContact CB-OD2 3.47Å; T237-D240 PolarHBondContact N-OD2 3Å; T237-D240 PolarHBondContact O-N 2.99Å; T237-D240 PolarHBondContact OG1-N 2.74Å; T237-D240 VanDerWaalsContact OG1-N 3.17Å; T237-D240 PolarHBondContact OG1-OD2 3.48Å; T237-I241 PolarHBondContact O-N 3.43Å; T237-I241 VanDerWaalsContact O-N 3.09Å | ||
| 238 | K | 86.7 | Confident | 87.6 | Confident | 154 Ų | 154 | 59.9 Ų | 59.9 | 67% | 0.67 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -54.6 | -33.6 | 173.1 | -171.5 | 174.7 | -178.6 | 177 | 0 | 111.6 | N242 | K238-N242 WeakPolarHBondContact O-CB 3.46Å; K238-N242 PolarHBondContact O-N 3.4Å; K238-N242 PolarHBondContact O-ND2 2.83Å |
| 239 | K | 88.7 | Confident | 87.6 | Confident | 153 Ų | 153 | 59.8 Ų | 59.8 | 67% | 0.665 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66 | -44.2 | 176.2 | -171.4 | 178.3 | 179.9 | -179.8 | 0 | 111.8 | T237 I241 N242 N243 | T237-K239 PolarHBondContact O-N 3.3Å; T237-K239 VanDerWaalsContact O-N 3.15Å; T237-K239 PolarHBondContact OG1-N 3.5Å; K239-I241 PolarHBondContact O-N 3.31Å; K239-N242 PolarHBondContact O-N 3.42Å; K239-N243 WeakPolarHBondContact O-CB 3.45Å; K239-N243 VanDerWaalsContact O-CG 3.22Å; K239-N243 PolarHBondContact O-N 3.1Å; K239-N243 PolarHBondContact O-ND2 3.41Å |
| 240 | D | 89.4 | Confident | 87.4 | Confident | 64 Ų | 64 | 63.4 Ų | 63.4 | 34% | 0.342 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 178.2 | -56.6 | -42.6 | 0 | 0 | 0 | 111.6 | Y236 T237 N242 N243 I244 | Y236-D240 HydrophobicContact CD1-CB 3.82Å; T237-D240 WeakPolarHBondContact CB-OD2 3.47Å; T237-D240 PolarHBondContact N-OD2 3Å; T237-D240 PolarHBondContact O-N 2.99Å; T237-D240 PolarHBondContact OG1-N 2.74Å; T237-D240 VanDerWaalsContact OG1-N 3.17Å; T237-D240 PolarHBondContact OG1-OD2 3.48Å; D240-N242 PolarHBondContact O-N 2.99Å; D240-N243 PolarHBondContact O-N 2.86Å; D240-I244 WeakPolarHBondContact O-CG1 3.43Å; D240-I244 PolarHBondContact O-N 3.47Å |
| 241 | I | 89.3 | Confident | 87.3 | Confident | 17 Ų | 17 | 67 Ų | 67 | 9% | 0.087 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 176.1 | -63.2 | 175.1 | 0 | 0 | 0 | 110.1 | I230 F232 T237 K239 N243 I244 L245 | I230-I241 HydrophobicContact CD1-CG2 4.45Å; I230-I241 HydrophobicContact CG2-CD1 4.26Å; I230-I241 HydrophobicContact CG2-CG1 3.96Å; I230-I241 HydrophobicContact CG2-CG2 4.06Å; F232-I241 HydrophobicContact CD1-CD1 4.32Å; F232-I241 HydrophobicContact CE1-CD1 4.08Å; T237-I241 PolarHBondContact O-N 3.43Å; T237-I241 VanDerWaalsContact O-N 3.09Å; K239-I241 PolarHBondContact O-N 3.31Å; I241-N243 VanDerWaalsContact C-N 3.33Å; I241-N243 PolarHBondContact O-N 2.95Å; I241-I244 PolarHBondContact O-N 3.5Å; I241-L245 HydrophobicContact CG2-CD1 3.81Å; I241-L245 HydrophobicContact CG2-CG 4.38Å; I241-L245 WeakPolarHBondContact O-CB 3.34Å; I241-L245 VanDerWaalsContact O-CG 3.28Å; I241-L245 WeakPolarHBondContact O-CG 3.28Å; I241-L245 PolarHBondContact O-N 2.82Å |
| 242 | N | 92.1 | Very high | 87.3 | Confident | 55 Ų | 55 | 66.8 Ų | 66.8 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 178 | -74.3 | -17.9 | 0 | 0 | 0 | 112.2 | S187 K238 K239 D240 L245 D246 | S187-N242 WeakPolarHBondContact CB-OD1 3.34Å; S187-N242 PolarHBondContact OG-OD1 3.28Å; K238-N242 WeakPolarHBondContact O-CB 3.46Å; K238-N242 PolarHBondContact O-N 3.4Å; K238-N242 PolarHBondContact O-ND2 2.83Å; K239-N242 PolarHBondContact O-N 3.42Å; D240-N242 PolarHBondContact O-N 2.99Å; N242-L245 PolarHBondContact O-N 2.98Å; N242-D246 WeakPolarHBondContact O-CB 3.31Å; N242-D246 PolarHBondContact O-N 2.83Å |
| 243 | N | 91.3 | Very high | 87.4 | Confident | 82 Ų | 82 | 68.6 Ų | 68.6 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 178.2 | -73 | -15.8 | 0 | 0 | 0 | 111.8 | K239 D240 I241 L245 D246 Q247 | K239-N243 WeakPolarHBondContact O-CB 3.45Å; K239-N243 VanDerWaalsContact O-CG 3.22Å; K239-N243 PolarHBondContact O-N 3.1Å; K239-N243 PolarHBondContact O-ND2 3.41Å; D240-N243 PolarHBondContact O-N 2.86Å; I241-N243 VanDerWaalsContact C-N 3.33Å; I241-N243 PolarHBondContact O-N 2.95Å; N243-L245 VanDerWaalsContact C-N 3.33Å; N243-L245 PolarHBondContact O-N 3.19Å; N243-D246 PolarHBondContact O-N 3.05Å; N243-Q247 VanDerWaalsContact O-CG 3.31Å; N243-Q247 WeakPolarHBondContact O-CG 3.42Å; N243-Q247 PolarHBondContact O-N 3.29Å |
| 244 | I | 90.7 | Very high | 87.4 | Confident | 17 Ų | 17 | 66.2 Ų | 66.2 | 9% | 0.087 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 177.4 | -69.5 | 167.4 | 0 | 0 | 0 | 110.6 | V228 I230 Y236 D240 I241 Q247 Y248 | V228-I244 HydrophobicContact CG1-CG2 3.3Å; I230-I244 HydrophobicContact CD1-CG2 4.44Å; I230-I244 HydrophobicContact CG1-CG2 4.27Å; Y236-I244 HydrophobicContact CD1-CD1 4.22Å; Y236-I244 HydrophobicContact CE1-CD1 3.94Å; D240-I244 WeakPolarHBondContact O-CG1 3.43Å; D240-I244 PolarHBondContact O-N 3.47Å; I241-I244 PolarHBondContact O-N 3.5Å; I244-Q247 PolarHBondContact O-N 3.44Å; I244-Y248 PolarHBondContact O-N 2.97Å |
| 245 | L | 93 | Very high | 86.5 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70 | -36.1 | -179.9 | -69.5 | 177.6 | 0 | 0 | 0 | 112.9 | L186 I190 I209 I230 I241 N242 N243 Y248 S249 | L186-L245 HydrophobicContact CD2-CD2 3.82Å; L186-L245 HydrophobicContact CG-CD2 3.97Å; I190-L245 HydrophobicContact CD1-CD1 3.89Å; I190-L245 HydrophobicContact CD1-CD2 3.55Å; I190-L245 HydrophobicContact CD1-CG 4.39Å; I209-L245 HydrophobicContact CD1-CD2 3.54Å; I230-L245 HydrophobicContact CD1-CD1 4.18Å; I230-L245 HydrophobicContact CD1-CD2 3.32Å; I230-L245 HydrophobicContact CD1-CG 3.7Å; I241-L245 HydrophobicContact CG2-CD1 3.81Å; I241-L245 HydrophobicContact CG2-CG 4.38Å; I241-L245 WeakPolarHBondContact O-CB 3.34Å; I241-L245 VanDerWaalsContact O-CG 3.28Å; I241-L245 WeakPolarHBondContact O-CG 3.28Å; I241-L245 PolarHBondContact O-N 2.82Å; N242-L245 PolarHBondContact O-N 2.98Å; N243-L245 VanDerWaalsContact C-N 3.33Å; N243-L245 PolarHBondContact O-N 3.19Å; L245-Y248 PolarHBondContact O-N 3.44Å; L245-S249 WeakPolarHBondContact O-CB 3.43Å; L245-S249 PolarHBondContact O-N 3.39Å; L245-S249 PolarHBondContact O-OG 3.47Å |
| 246 | D | 91.3 | Very high | 85.3 | Confident | 57 Ų | 57 | 65.4 Ų | 65.4 | 31% | 0.305 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.3 | -43.2 | 174.7 | -171.6 | 53.8 | 0 | 0 | 0 | 111.1 | N242 N243 Y248 S249 R250 | N242-D246 WeakPolarHBondContact O-CB 3.31Å; N242-D246 PolarHBondContact O-N 2.83Å; N243-D246 PolarHBondContact O-N 3.05Å; D246-Y248 VanDerWaalsContact C-N 3.34Å; D246-Y248 PolarHBondContact O-N 3.27Å; D246-S249 CarbonylContact O-C 3.54Å; D246-S249 WeakPolarHBondContact O-CA 3.38Å; D246-S249 WeakPolarHBondContact O-CB 3.5Å; D246-S249 PolarHBondContact O-N 2.73Å; D246-R250 WeakPolarHBondContact O-CG 3.5Å; D246-R250 PolarHBondContact O-N 2.85Å; D246-R250 IonicContact OD2-CZ 3.2Å; D246-R250 IonicContact OD2-NE 2.81Å; D246-R250 PolarHBondContact OD2-NE 2.9Å; D246-R250 IonicContact OD2-NH2 2.81Å; D246-R250 PolarHBondContact OD2-NH2 3.33Å |
| 247 | Q | 90.8 | Very high | 83.5 | Confident | 105 Ų | 105 | 69 Ų | 69 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.6 | -46.3 | 173.8 | -74.2 | 177.3 | 10.3 | 0 | 0 | 111.7 | N243 I244 S249 R250 F251 | N243-Q247 VanDerWaalsContact O-CG 3.31Å; N243-Q247 WeakPolarHBondContact O-CG 3.42Å; N243-Q247 PolarHBondContact O-N 3.29Å; I244-Q247 PolarHBondContact O-N 3.44Å; Q247-S249 VanDerWaalsContact C-N 3.3Å; Q247-S249 PolarHBondContact O-N 3.33Å; Q247-R250 PolarHBondContact O-N 3.43Å; Q247-F251 PolarHBondContact O-N 2.95Å |
| 248 | Y | 92.2 | Very high | 81.3 | Confident | 6 Ų | 6 | 71.7 Ų | 71.7 | 2% | 0.024 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 174.8 | -177.5 | -95.7 | 0 | 0 | 0 | 112.2 | F138 L186 I209 G210 V228 I244 L245 D246 F251 L252 | F138-Y248 VanDerWaalsContact CB-OH 3.23Å; F138-Y248 WeakPolarHBondContact CB-OH 3.39Å; F138-Y248 HydrophobicContact CD2-CE1 4.21Å; F138-Y248 HydrophobicContact CE2-CE1 4.34Å; F138-Y248 HydrophobicContact CG-CE1 4.33Å; F138-Y248 WeakPolarHBondContact CG-OH 3.4Å; L186-Y248 HydrophobicContact CD2-CD1 3.47Å; L186-Y248 VanDerWaalsContact CD2-CD1 3.47Å; L186-Y248 HydrophobicContact CD2-CE1 3.94Å; I209-Y248 HydrophobicContact CG2-CD1 4.25Å; I209-Y248 HydrophobicContact CG2-CE1 3.63Å; I209-Y248 HydrophobicContact CG2-CE2 4.03Å; G210-Y248 WeakPolarHBondContact O-CE2 3.4Å; G210-Y248 PolarHBondContact O-OH 3.34Å; V228-Y248 HydrophobicContact CG2-CD2 3.49Å; V228-Y248 VanDerWaalsContact CG2-CD2 3.49Å; V228-Y248 HydrophobicContact CG2-CE2 4.24Å; V228-Y248 HydrophobicContact CG2-CG 4.06Å; I244-Y248 PolarHBondContact O-N 2.97Å; L245-Y248 PolarHBondContact O-N 3.44Å; D246-Y248 VanDerWaalsContact C-N 3.34Å; D246-Y248 PolarHBondContact O-N 3.27Å; Y248-F251 HydrophobicContact CD2-CD1 4.47Å; Y248-F251 HydrophobicContact CE2-CD1 4.4Å; Y248-F251 WeakPolarHBondContact O-CB 3.38Å; Y248-F251 PolarHBondContact O-N 2.71Å; Y248-L252 HydrophobicContact CD1-CD1 3.76Å; Y248-L252 HydrophobicContact CD1-CG 4.18Å; Y248-L252 HydrophobicContact CE1-CD1 3.3Å; Y248-L252 HydrophobicContact CE1-CD2 4.43Å; Y248-L252 HydrophobicContact CE1-CG 3.68Å; Y248-L252 PolarHBondContact O-N 3.01Å |
| 249 | S | 91.6 | Very high | 78.7 | Confident | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.8 | -37.2 | 177.4 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | L245 D246 Q247 L252 R253 | L245-S249 WeakPolarHBondContact O-CB 3.43Å; L245-S249 PolarHBondContact O-N 3.39Å; L245-S249 PolarHBondContact O-OG 3.47Å; D246-S249 CarbonylContact O-C 3.54Å; D246-S249 WeakPolarHBondContact O-CA 3.38Å; D246-S249 WeakPolarHBondContact O-CB 3.5Å; D246-S249 PolarHBondContact O-N 2.73Å; Q247-S249 VanDerWaalsContact C-N 3.3Å; Q247-S249 PolarHBondContact O-N 3.33Å; S249-L252 WeakPolarHBondContact O-CB 3.43Å; S249-L252 PolarHBondContact O-N 3.38Å; S249-R253 WeakPolarHBondContact O-CG 3.49Å; S249-R253 PolarHBondContact O-N 3.17Å; S249-R253 PolarHBondContact O-NE 3.32Å |
| 250 | R | 90 | Very high | 76.5 | Confident | 133 Ų | 133 | 66.7 Ų | 66.7 | 50% | 0.502 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 172.3 | -67.6 | 176.9 | -166.9 | -155.3 | 1.5 | 112 | D246 Q247 R253 G254 S255 I256 | D246-R250 WeakPolarHBondContact O-CG 3.5Å; D246-R250 PolarHBondContact O-N 2.85Å; D246-R250 IonicContact OD2-CZ 3.2Å; D246-R250 IonicContact OD2-NE 2.81Å; D246-R250 PolarHBondContact OD2-NE 2.9Å; D246-R250 IonicContact OD2-NH2 2.81Å; D246-R250 PolarHBondContact OD2-NH2 3.33Å; Q247-R250 PolarHBondContact O-N 3.43Å; R250-R253 PolarHBondContact O-N 3.06Å; R250-G254 PolarHBondContact O-N 3.41Å; R250-S255 PolarHBondContact O-N 3.24Å; R250-S255 VanDerWaalsContact O-N 3.17Å; R250-I256 HydrophobicContact CB-CD1 3.94Å; R250-I256 HydrophobicContact CB-CG1 4.44Å |
| 251 | F | 89.1 | Confident | 74.2 | Confident | 75 Ų | 75 | 73.3 Ų | 73.3 | 33% | 0.329 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 172.4 | 171.8 | -109.5 | 0 | 0 | 0 | 111.4 | L211 P212 Q247 Y248 R253 G254 I256 | L211-F251 HydrophobicContact CD2-CE1 4.03Å; P212-F251 VanDerWaalsContact CD-CE1 3.45Å; P212-F251 HydrophobicContact CG-CD1 4.38Å; P212-F251 HydrophobicContact CG-CE1 3.81Å; Q247-F251 PolarHBondContact O-N 2.95Å; Y248-F251 HydrophobicContact CD2-CD1 4.47Å; Y248-F251 HydrophobicContact CE2-CD1 4.4Å; Y248-F251 WeakPolarHBondContact O-CB 3.38Å; Y248-F251 PolarHBondContact O-N 2.71Å; F251-R253 VanDerWaalsContact C-N 3.29Å; F251-R253 PolarHBondContact O-N 3.18Å; F251-G254 PolarHBondContact O-N 3.41Å; F251-I256 HydrophobicContact CB-CD1 4.45Å |
| 252 | L | 88.6 | Confident | 71.9 | Confident | 3 Ų | 3 | 82 Ų | 82 | 2% | 0.016 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -56.1 | -42.3 | 173.5 | -89.7 | 173.1 | 0 | 0 | 0 | 112 | K136 F138 F165 P212 Y248 S249 G254 | K136-L252 HydrophobicContact CB-CD2 4.08Å; K136-L252 HydrophobicContact CD-CD2 4.39Å; K136-L252 WeakPolarHBondContact CD-O 3.48Å; K136-L252 VanDerWaalsContact CE-O 3.31Å; K136-L252 WeakPolarHBondContact CE-O 3.49Å; K136-L252 PolarHBondContact NZ-O 2.88Å; F138-L252 HydrophobicContact CD1-CD1 4.02Å; F138-L252 HydrophobicContact CD1-CD2 4Å; F138-L252 HydrophobicContact CE1-CD1 3.76Å; F138-L252 HydrophobicContact CE1-CD2 4.45Å; F138-L252 HydrophobicContact CZ-CD1 4.32Å; F165-L252 HydrophobicContact CE1-CD1 3.79Å; F165-L252 HydrophobicContact CZ-CD1 4.3Å; P212-L252 HydrophobicContact CB-CD2 4.25Å; P212-L252 HydrophobicContact CG-CD2 3.62Å; P212-L252 HydrophobicContact CG-CG 4.48Å; Y248-L252 HydrophobicContact CD1-CD1 3.76Å; Y248-L252 HydrophobicContact CD1-CG 4.18Å; Y248-L252 HydrophobicContact CE1-CD1 3.3Å; Y248-L252 HydrophobicContact CE1-CD2 4.43Å; Y248-L252 HydrophobicContact CE1-CG 3.68Å; Y248-L252 PolarHBondContact O-N 3.01Å; S249-L252 WeakPolarHBondContact O-CB 3.43Å; S249-L252 PolarHBondContact O-N 3.38Å; L252-G254 PolarHBondContact O-N 3.28Å; L252-G254 VanDerWaalsContact O-N 3.16Å |
| 253 | R | 86.9 | Confident | 69.4 | Low | 96 Ų | 96 | 83 Ų | 83 | 36% | 0.362 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.8 | -15.2 | 178.8 | -78.1 | 178.6 | -109.7 | -111.7 | 11.4 | 114.1 | Y159 S249 R250 F251 S255 | Y159-R253 HydrophobicContact CE1-CG 4.31Å; Y159-R253 VanDerWaalsContact OH-CG 3.25Å; Y159-R253 WeakPolarHBondContact OH-CG 3.37Å; S249-R253 WeakPolarHBondContact O-CG 3.49Å; S249-R253 PolarHBondContact O-N 3.17Å; S249-R253 PolarHBondContact O-NE 3.32Å; R250-R253 PolarHBondContact O-N 3.06Å; F251-R253 VanDerWaalsContact C-N 3.29Å; F251-R253 PolarHBondContact O-N 3.18Å; R253-S255 VanDerWaalsContact C-N 3.31Å |
| 254 | G | 76.6 | Confident | 67.2 | Low | 48 Ų | 48 | 80.8 Ų | 80.8 | 50% | 0.495 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 10.1 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | R250 F251 L252 I256 | R250-G254 PolarHBondContact O-N 3.41Å; F251-G254 PolarHBondContact O-N 3.41Å; L252-G254 PolarHBondContact O-N 3.28Å; L252-G254 VanDerWaalsContact O-N 3.16Å; G254-I256 PolarHBondContact O-N 2.98Å |
| 255 | S | 57.6 | Low | 64.7 | Low | 89 Ų | 89 | 83.2 Ų | 83.2 | 62% | 0.622 | 43% | 0.434 | S | S | * | . | trans | -76.7 | -0.8 | 177.8 | -49.6 | 0 | 0 | 0 | 0 | 113.1 | R250 R253 | R250-S255 PolarHBondContact O-N 3.24Å; R250-S255 VanDerWaalsContact O-N 3.17Å; R253-S255 VanDerWaalsContact C-N 3.31Å | ||
| 256 | I | 49.8 | Very low | 62 | Low | 67 Ų | 67 | 90.2 Ų | 90.2 | 34% | 0.344 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -134.4 | 106 | 179.2 | -58.9 | 172.9 | 0 | 0 | 0 | 108 | R250 F251 G254 | R250-I256 HydrophobicContact CB-CD1 3.94Å; R250-I256 HydrophobicContact CB-CG1 4.44Å; F251-I256 HydrophobicContact CB-CD1 4.45Å; G254-I256 PolarHBondContact O-N 2.98Å |
| 257 | N | 42.8 | Very low | 59.2 | Low | 149 Ų | 149 | 90 Ų | 90 | 80% | 0.797 | 47% | 0.47 | S | S | * | . | trans | -70.7 | 129.1 | 169.7 | -74.5 | -30.5 | 0 | 0 | 0 | 109.4 | I259 | N257-I259 PolarHBondContact O-N 3.38Š| ||
| 258 | V | 38.2 | Very low | 56.3 | Low | 130 Ų | 130 | 87.9 Ų | 87.9 | 79% | 0.788 | 47% | 0.466 | S | S | * | . | S | Bend | trans | 18.4 | 95.5 | 157.2 | -172.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 259 | I | 33.4 | Very low | 53.5 | Low | 139 Ų | 139 | 92 Ų | 92 | 71% | 0.713 | 50% | 0.496 | S | S | * | . | trans | 169.7 | 91.7 | 140.9 | -80 | 145.5 | 0 | 0 | 0 | 106.5 | N257 | N257-I259 PolarHBondContact O-N 3.38Š| ||
| 260 | V | 42.6 | Very low | 50.5 | Low | 63 Ų | 63 | 98.7 Ų | 98.7 | 38% | 0.382 | 53% | 0.532 | S | S | . | . | trans | -153 | 56.6 | 150.3 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | S263 L264 | V260-S263 WeakPolarHBondContact CG1-OG 3.49Å; V260-S263 VanDerWaalsContact CG2-OG 3.31Å; V260-S263 WeakPolarHBondContact CG2-OG 3.5Å; V260-L264 HydrophobicContact CG1-CB 3.88Å; V260-L264 HydrophobicContact CG1-CD1 4.07Å; V260-L264 HydrophobicContact CG1-CG 3.64Å | ||
| 261 | K | 40.7 | Very low | 47.6 | Very low | 202 Ų | 202 | 96.3 Ų | 96.3 | 88% | 0.878 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -78.5 | -8.7 | 154 | -95.1 | -175.7 | 180 | 173.7 | 0 | 111.7 | ||
| 262 | K | 40.6 | Very low | 44.8 | Very low | 199 Ų | 199 | 100.5 Ų | 100.5 | 87% | 0.865 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -120.7 | -16.6 | -172.8 | -79.3 | -174.5 | 172.8 | -178.2 | 0 | 116.4 | ||
| 263 | S | 40.1 | Very low | 41.9 | Very low | 77 Ų | 77 | 109.9 Ų | 109.9 | 54% | 0.538 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -119 | 3.8 | -172.2 | 42.6 | 0 | 0 | 0 | 0 | 116.5 | V260 | V260-S263 WeakPolarHBondContact CG1-OG 3.49Å; V260-S263 VanDerWaalsContact CG2-OG 3.31Å; V260-S263 WeakPolarHBondContact CG2-OG 3.5Å |
| 264 | L | 45.2 | Very low | 39.2 | Very low | 36 Ų | 36 | 111 Ų | 111 | 19% | 0.188 | 61% | 0.612 | C | S | . | * | S | Bend | trans | -79.5 | 128.9 | 160.4 | -87.8 | 160.1 | 0 | 0 | 0 | 104.4 | V228 V260 N266 | V228-L264 HydrophobicContact CB-CD2 4.42Å; V228-L264 HydrophobicContact CG1-CD2 4.26Å; V228-L264 HydrophobicContact CG2-CD1 3.97Å; V228-L264 HydrophobicContact CG2-CD2 3.64Å; V228-L264 HydrophobicContact CG2-CG 4.45Å; V260-L264 HydrophobicContact CG1-CB 3.88Å; V260-L264 HydrophobicContact CG1-CD1 4.07Å; V260-L264 HydrophobicContact CG1-CG 3.64Å; L264-N266 PolarHBondContact O-N 2.87Å |
| 265 | P | 38.4 | Very low | 36.9 | Very low | 67 Ų | 67 | 115.6 Ų | 115.6 | 44% | 0.435 | 63% | 0.631 | S | S | . | * | trans | -55.4 | 105.6 | -174.2 | 19.8 | -29.8 | 0 | 0 | 0 | 108.6 | I267 | P265-I267 HydrophobicContact CB-CG1 4.28Å; P265-I267 PolarHBondContact O-N 2.7Å | ||
| 266 | N | 35 | Very low | 35.7 | Very low | 151 Ų | 151 | 120.7 Ų | 120.7 | 81% | 0.807 | 64% | 0.642 | S | S | * | * | trans | -67.4 | 80.8 | 164.6 | -99.9 | -23.8 | 0 | 0 | 0 | 105 | L264 S268 | L264-N266 PolarHBondContact O-N 2.87Å; N266-S268 PolarHBondContact O-N 2.82Å | ||
| 267 | I | 32.4 | Very low | 34.8 | Very low | 52 Ų | 52 | 127.5 Ų | 127.5 | 27% | 0.267 | 67% | 0.669 | S | S | . | * | trans | -70.2 | 91.2 | 162.8 | -54.7 | 168.7 | 0 | 0 | 0 | 103.6 | P231 K234 Y236 P265 S269 | P231-I267 HydrophobicContact CG-CD1 3.62Å; K234-I267 HydrophobicContact CD-CG2 4.21Å; Y236-I267 HydrophobicContact CE2-CD1 3.89Å; Y236-I267 WeakPolarHBondContact OH-CD1 3.36Å; P265-I267 HydrophobicContact CB-CG1 4.28Å; P265-I267 PolarHBondContact O-N 2.7Å; I267-S269 PolarHBondContact O-N 2.92Å | ||
| 268 | S | 30.9 | Very low | 34.2 | Very low | 60 Ų | 60 | 130.1 Ų | 130.1 | 42% | 0.42 | 67% | 0.673 | S | S | . | * | trans | -38.2 | 131.3 | 178.4 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | N266 D270 | N266-S268 PolarHBondContact O-N 2.82Å; S268-D270 PolarHBondContact O-N 2.92Å; S268-D270 VanDerWaalsContact O-N 3.15Å; S268-D270 WeakPolarHBondContact OG-CB 3.25Å; S268-D270 VanDerWaalsContact OG-CG 3.22Å; S268-D270 PolarHBondContact OG-N 3.28Å; S268-D270 PolarHBondContact OG-OD2 3.18Å | ||
| 269 | S | 32.2 | Very low | 33.9 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 66% | 0.657 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -66.1 | 3.7 | 166.8 | 40.8 | 0 | 0 | 0 | 0 | 113.4 | I267 S271 | I267-S269 PolarHBondContact O-N 2.92Å; S269-S271 PolarHBondContact O-N 3.12Å |
| 270 | D | 29.9 | Very low | 33.7 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 76% | 0.759 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 70.5 | -179.3 | -53.5 | -35.6 | 0 | 0 | 0 | 111.1 | S268 | S268-D270 PolarHBondContact O-N 2.92Å; S268-D270 VanDerWaalsContact O-N 3.15Å; S268-D270 WeakPolarHBondContact OG-CB 3.25Å; S268-D270 VanDerWaalsContact OG-CG 3.22Å; S268-D270 PolarHBondContact OG-N 3.28Å; S268-D270 PolarHBondContact OG-OD2 3.18Å |
| 271 | S | 29 | Very low | 33.3 | Very low | 84 Ų | 84 | 137.2 Ų | 137.2 | 59% | 0.587 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143 | 13.7 | 151.7 | 74.8 | 0 | 0 | 0 | 0 | 112.9 | S269 K273 | S269-S271 PolarHBondContact O-N 3.12Å; S271-K273 VanDerWaalsContact C-N 3.31Å; S271-K273 PolarHBondContact O-N 3.3Å |
| 272 | F | 30.2 | Very low | 32.8 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | trans | -90.9 | 68.2 | 169.7 | -71.1 | -82.6 | 0 | 0 | 0 | 110.1 | ||||
| 273 | K | 28.1 | Very low | 32.3 | Very low | 200 Ų | 200 | 131.8 Ų | 131.8 | 87% | 0.87 | 69% | 0.689 | S | S | * | * | trans | -105.8 | 91.1 | 152.4 | -78.8 | -174.6 | 179.1 | 178.1 | 0 | 106.7 | S271 T275 | S271-K273 VanDerWaalsContact C-N 3.31Å; S271-K273 PolarHBondContact O-N 3.3Å; K273-T275 PolarHBondContact O-N 3.27Å | ||
| 274 | T | 30.7 | Very low | 31.8 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | trans | -58.9 | 124.6 | 153.6 | 40.5 | 0 | 0 | 0 | 0 | 106.7 | K276 | T274-K276 PolarHBondContact O-N 3.11Š| ||
| 275 | T | 27.3 | Very low | 31 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | -48.9 | 100.7 | 171.8 | 41.9 | 0 | 0 | 0 | 0 | 110.1 | K273 | K273-T275 PolarHBondContact O-N 3.27Š| ||
| 276 | K | 32 | Very low | 30.6 | Very low | 197 Ų | 197 | 150.6 Ų | 150.6 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | -111.8 | 125.4 | 156.9 | -82.3 | -167.7 | 174.6 | -174.3 | 0 | 108.4 | T274 | T274-K276 PolarHBondContact O-N 3.11Š| ||
| 277 | K | 32.3 | Very low | 30.4 | Very low | 210 Ų | 210 | 150.3 Ų | 150.3 | 91% | 0.913 | 76% | 0.756 | S | S | * | * | trans | -44.1 | 145.1 | -179.2 | -88 | 170.9 | 165.1 | 175.3 | 0 | 113.3 | ||||
| 278 | K | 28.2 | Very low | 30.1 | Very low | 204 Ų | 204 | 158.7 Ų | 158.7 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | -36.1 | 130.7 | 164.3 | -66.6 | 172.6 | 171.1 | 179.3 | 0 | 113.1 | ||||
| 279 | Q | 32.8 | Very low | 29.9 | Very low | 200 Ų | 200 | 164.3 Ų | 164.3 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | trans | -165.5 | 138.3 | 133.2 | -103.6 | 167.9 | 19.2 | 0 | 0 | 109.7 | ||||
| 280 | N | 29.3 | Very low | 29.5 | Very low | 168 Ų | 168 | 164.6 Ų | 164.6 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -81.9 | 168.1 | -163 | -115.8 | -1.6 | 0 | 0 | 0 | 113.7 | ||||
| 281 | P | 33.9 | Very low | 29.4 | Very low | 112 Ų | 112 | 167.1 Ų | 167.1 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -103.2 | 165.5 | -154.6 | 40.4 | -36.4 | 0 | 0 | 0 | 114.6 | ||||
| 282 | S | 30 | Very low | 29.2 | Very low | 90 Ų | 90 | 169 Ų | 169 | 63% | 0.629 | 83% | 0.828 | S | S | * | * | trans | -166.4 | 150.8 | 150.5 | -163.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 283 | Y | 30.1 | Very low | 29.3 | Very low | 197 Ų | 197 | 173 Ų | 173 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | trans | 103.3 | 93.2 | 161.1 | -60.4 | -73.3 | 0 | 0 | 0 | 121.7 | ||||
| 284 | R | 30.8 | Very low | 29.5 | Very low | 231 Ų | 231 | 170.5 Ų | 170.5 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | 65.8 | 118 | 122 | -78.7 | -174.1 | -179.8 | -178 | -0.1 | 123.1 | |||||
| 285 | K | 27.8 | Very low | 29.5 | Very low | 194 Ų | 194 | 174.6 Ų | 174.6 | 84% | 0.843 | 84% | 0.842 | S | S | * | * | trans | -42.2 | 141.7 | 149.8 | -96 | 168.7 | 168.3 | 173.2 | 0 | 114.7 | ||||
| 286 | V | 30.2 | Very low | 29.9 | Very low | 150 Ų | 150 | 173.2 Ų | 173.2 | 91% | 0.909 | 84% | 0.838 | S | S | * | * | trans | -132.2 | 144.9 | 147.4 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 287 | I | 31 | Very low | 29.9 | Very low | 146 Ų | 146 | 170.8 Ų | 170.8 | 75% | 0.749 | 84% | 0.835 | S | S | * | * | trans | -98.3 | 157.6 | -159.4 | -72.2 | 164.2 | 0 | 0 | 0 | 112.4 | ||||
| 288 | R | 24.9 | Very low | 30 | Very low | 228 Ų | 228 | 168.9 Ų | 168.9 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | trans | -20.5 | 153.4 | 167.4 | -70.2 | 176.5 | 169.3 | 174.4 | -3.5 | 119.8 | ||||
| 289 | L | 27.1 | Very low | 30 | Very low | 178 Ų | 178 | 169 Ų | 169 | 93% | 0.932 | 84% | 0.835 | S | S | * | * | trans | -146.9 | 129.3 | 135.7 | -102.7 | 148.5 | 0 | 0 | 0 | 111.2 | ||||
| 290 | S | 24.1 | Very low | 30 | Very low | 100 Ų | 100 | 165.7 Ų | 165.7 | 70% | 0.699 | 83% | 0.828 | S | S | * | * | trans | -102.1 | 145.9 | 173.6 | 48.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 291 | M | 27.5 | Very low | 29.9 | Very low | 194 Ų | 194 | 163 Ų | 163 | 96% | 0.956 | 82% | 0.823 | S | S | * | * | trans | -131.1 | 125.5 | 158.3 | -89.2 | -160.3 | -91.5 | 0 | 0 | 110.7 | ||||
| 292 | V | 25.6 | Very low | 29.9 | Very low | 125 Ų | 125 | 162.1 Ų | 162.1 | 76% | 0.758 | 82% | 0.819 | S | S | * | * | trans | -99.8 | 139.1 | 170.2 | 168.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 293 | R | 31.8 | Very low | 29.7 | Very low | 245 Ų | 245 | 165.8 Ų | 165.8 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | trans | -151.6 | 112.7 | 150.1 | -122.3 | 175.8 | -174.6 | 179 | 0.7 | 113 | ||||
| 294 | N | 32.6 | Very low | 29.6 | Very low | 147 Ų | 147 | 163.9 Ų | 163.9 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | trans | 8.3 | 146.6 | 153.8 | -66.1 | -18 | 0 | 0 | 0 | 125 | ||||
| 295 | K | 29.8 | Very low | 29.3 | Very low | 206 Ų | 206 | 158.4 Ų | 158.4 | 90% | 0.896 | 83% | 0.83 | S | S | * | * | trans | -48 | 148.5 | 162.6 | -67.8 | 168.7 | 167.1 | 178.8 | 0 | 115.4 | ||||
| 296 | S | 37.1 | Very low | 29.4 | Very low | 115 Ų | 115 | 154.6 Ų | 154.6 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | -167.1 | 152.3 | 123.3 | 55.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 297 | D | 30.9 | Very low | 29.2 | Very low | 147 Ų | 147 | 152.4 Ų | 152.4 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -61.5 | 150.6 | -167.8 | -55.3 | -73.8 | 0 | 0 | 0 | 116.4 | ||||
| 298 | N | 33.9 | Very low | 29.1 | Very low | 169 Ų | 169 | 150.6 Ų | 150.6 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | -168.9 | 134.9 | 120.9 | -97.8 | -27.4 | 0 | 0 | 0 | 112.6 | |||||
| 299 | K | 29.8 | Very low | 29.4 | Very low | 206 Ų | 206 | 144.6 Ų | 144.6 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | trans | -94.8 | 114.7 | -173.8 | -161.5 | -176.4 | -167 | -177.6 | 0 | 107.8 | ||||
| 300 | V | 32.9 | Very low | 29.7 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -138.2 | 113.4 | 161.6 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 301 | S | 26.8 | Very low | 30 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -81.6 | 121.7 | 165.6 | 52.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 302 | S | 33.3 | Very low | 30.4 | Very low | 93 Ų | 93 | 140.9 Ų | 140.9 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | trans | -164.2 | 112.3 | 153.4 | 57 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 303 | L | 25.8 | Very low | 31.2 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 88% | 0.88 | 74% | 0.737 | S | S | * | * | trans | 34.2 | 107.7 | 132.7 | -58.9 | 167.5 | 0 | 0 | 0 | 116.7 | ||||
| 304 | L | 28.6 | Very low | 31.6 | Very low | 157 Ų | 157 | 128.1 Ų | 128.1 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | trans | -161 | 87.3 | 143.9 | -100.3 | 147.8 | 0 | 0 | 0 | 108.4 | T306 | L304-T306 PolarHBondContact O-N 3.41Š| ||
| 305 | S | 24.3 | Very low | 31.8 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | -64.5 | 119.2 | 150.5 | 50 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 306 | T | 30.6 | Very low | 31.9 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | trans | -163.9 | 102.4 | 153.2 | 33.1 | 0 | 0 | 0 | 0 | 109.9 | L304 | L304-T306 PolarHBondContact O-N 3.41Š| ||
| 307 | S | 25.9 | Very low | 31.5 | Very low | 103 Ų | 103 | 121.5 Ų | 121.5 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | trans | 24.1 | 107.6 | 132.9 | -177.7 | 0 | 0 | 0 | 0 | 117.5 | T309 | S307-T309 PolarHBondContact OG-OG1 3.27Å; S307-T309 VanDerWaalsContact OG-OG1 3.12Å | ||
| 308 | S | 28.8 | Very low | 31.5 | Very low | 108 Ų | 108 | 120.9 Ų | 120.9 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | trans | -114.1 | 74.9 | 157.8 | 55 | 0 | 0 | 0 | 0 | 110.1 | W310 | S308-W310 PolarHBondContact O-N 3.17Å; S308-W310 VanDerWaalsContact O-N 3.14Å | ||
| 309 | T | 30 | Very low | 31.4 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 63% | 0.632 | 67% | 0.673 | S | S | * | * | trans | -68.6 | 104.9 | 171.8 | -40.9 | 0 | 0 | 0 | 0 | 109.6 | S307 R311 | S307-T309 PolarHBondContact OG-OG1 3.27Å; S307-T309 VanDerWaalsContact OG-OG1 3.12Å; T309-R311 PolarHBondContact O-N 3.47Å | ||
| 310 | W | 33.5 | Very low | 31.4 | Very low | 174 Ų | 174 | 118 Ų | 118 | 66% | 0.659 | 67% | 0.669 | S | S | * | * | trans | -64 | 94 | 166.2 | -81.3 | 83.9 | 0 | 0 | 0 | 109.5 | M219 S308 | M219-W310 HydrophobicContact CG-CH2 3.65Å; M219-W310 HydrophobicContact CG-CZ2 3.31Å; M219-W310 HydrophobicContact SD-CH2 4.07Å; M219-W310 HydrophobicContact SD-CZ2 3.71Å; S308-W310 PolarHBondContact O-N 3.17Å; S308-W310 VanDerWaalsContact O-N 3.14Å | ||
| 311 | R | 29.8 | Very low | 31.5 | Very low | 178 Ų | 178 | 117.4 Ų | 117.4 | 67% | 0.672 | 67% | 0.671 | S | S | * | * | trans | -72.4 | 135.2 | 168.1 | -67.6 | -174 | -172.3 | -124.3 | 1.9 | 108.8 | T309 | T309-R311 PolarHBondContact O-N 3.47Š| ||
| 312 | S | 37 | Very low | 31.9 | Very low | 42 Ų | 42 | 122.1 Ų | 122.1 | 29% | 0.294 | 68% | 0.677 | S | S | . | * | trans | -35 | 142 | 174.1 | 174.6 | 0 | 0 | 0 | 0 | 112.9 | T314 N315 | S312-T314 WeakPolarHBondContact CB-OG1 3.5Å; S312-T314 PolarHBondContact O-N 3.48Å; S312-T314 PolarHBondContact OG-N 3.28Å; S312-T314 PolarHBondContact OG-OG1 2.61Å; S312-N315 PolarHBondContact O-N 2.9Å | ||
| 313 | V | 42.4 | Very low | 31.8 | Very low | 51 Ų | 51 | 124.5 Ų | 124.5 | 31% | 0.309 | 68% | 0.68 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.8 | -8.2 | 174.8 | 179.5 | 0 | 0 | 0 | 0 | 112.4 | F127 | F127-V313 HydrophobicContact CD1-CG2 4.19Š|
| 314 | T | 39.4 | Very low | 32.1 | Very low | 50 Ų | 50 | 119.1 Ų | 119.1 | 31% | 0.307 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.7 | -4.7 | 172.8 | 62.6 | 0 | 0 | 0 | 0 | 115.3 | S312 | S312-T314 WeakPolarHBondContact CB-OG1 3.5Å; S312-T314 PolarHBondContact O-N 3.48Å; S312-T314 PolarHBondContact OG-N 3.28Å; S312-T314 PolarHBondContact OG-OG1 2.61Å |
| 315 | N | 37.9 | Very low | 32.2 | Very low | 110 Ų | 110 | 123.9 Ų | 123.9 | 59% | 0.588 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -131.9 | 27.5 | -170.4 | -77.1 | -17.1 | 0 | 0 | 0 | 116 | S312 | S312-N315 PolarHBondContact O-N 2.9Š|
| 316 | L | 30.5 | Very low | 32.6 | Very low | 99 Ų | 99 | 123 Ų | 123 | 52% | 0.518 | 67% | 0.665 | S | S | . | * | trans | -110.9 | 132.4 | -175.6 | -73.3 | 167.5 | 0 | 0 | 0 | 114 | ||||
| 317 | P | 28.6 | Very low | 32.7 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 79% | 0.786 | 67% | 0.67 | S | S | * | * | trans | -71.3 | 148.2 | 177.9 | 29.1 | -31.8 | 0 | 0 | 0 | 112.1 | ||||
| 318 | I | 31.3 | Very low | 32.9 | Very low | 134 Ų | 134 | 124.9 Ų | 124.9 | 69% | 0.687 | 66% | 0.66 | S | S | * | * | trans | -76 | 123.3 | -176 | -60.8 | 167.5 | 0 | 0 | 0 | 109.2 | ||||
| 319 | N | 32.6 | Very low | 33 | Very low | 164 Ų | 164 | 123.1 Ų | 123.1 | 88% | 0.877 | 65% | 0.648 | S | S | * | * | trans | -134 | 120.9 | 164.1 | -132.4 | -3.3 | 0 | 0 | 0 | 109.4 | ||||
| 320 | N | 29.6 | Very low | 33.1 | Very low | 151 Ų | 151 | 123.9 Ų | 123.9 | 81% | 0.807 | 65% | 0.652 | S | S | * | * | trans | -87.5 | 113.7 | -172.7 | -77.5 | -25.4 | 0 | 0 | 0 | 110.8 | ||||
| 321 | S | 34.9 | Very low | 33.4 | Very low | 118 Ų | 118 | 118.6 Ų | 118.6 | 83% | 0.825 | 64% | 0.637 | S | S | * | * | trans | -153.2 | 126 | 155.1 | 53.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 322 | K | 36.1 | Very low | 33.8 | Very low | 211 Ų | 211 | 113.1 Ų | 113.1 | 92% | 0.917 | 63% | 0.626 | S | S | * | * | trans | 5.5 | 129.2 | 165.9 | -69.9 | 173.7 | 175.8 | 175.6 | 0 | 121.5 | ||||
| 323 | M | 30.6 | Very low | 34 | Very low | 143 Ų | 143 | 111.9 Ų | 111.9 | 70% | 0.704 | 62% | 0.615 | S | S | * | * | trans | -70.5 | 142.8 | 171.9 | -97.4 | -167.5 | 49.6 | 0 | 0 | 115.3 | ||||
| 324 | G | 32.7 | Very low | 34.3 | Very low | 54 Ų | 54 | 110.4 Ų | 110.4 | 56% | 0.557 | 61% | 0.605 | S | S | * | * | trans | -111.1 | 142.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 325 | R | 29.3 | Very low | 34 | Very low | 257 Ų | 257 | 108.4 Ų | 108.4 | 97% | 0.97 | 59% | 0.593 | S | S | * | * | trans | -61.4 | 140.1 | 179.5 | -94.2 | 172 | 164.1 | 166.7 | -4.7 | 113.4 | ||||
| 326 | S | 34 | Very low | 33.9 | Very low | 96 Ų | 96 | 107.3 Ų | 107.3 | 67% | 0.671 | 58% | 0.58 | S | S | * | * | trans | -153.3 | 148.8 | 158.3 | -172.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 327 | Q | 31.3 | Very low | 34.3 | Very low | 176 Ų | 176 | 107.5 Ų | 107.5 | 82% | 0.822 | 58% | 0.581 | S | S | * | * | trans | -67.9 | 148.7 | -159 | -65.9 | 170.7 | -15.4 | 0 | 0 | 115.5 | ||||
| 328 | T | 29.9 | Very low | 34.6 | Very low | 82 Ų | 82 | 106.8 Ų | 106.8 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | trans | -89.8 | 133.6 | -171.4 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 329 | S | 31.1 | Very low | 34.8 | Very low | 71 Ų | 71 | 105.4 Ų | 105.4 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | trans | -118.7 | 111.9 | 149.6 | 71.2 | 0 | 0 | 0 | 0 | 108.3 | N331 | S329-N331 PolarHBondContact O-N 3.33Š| ||
| 330 | T | 33.3 | Very low | 34.9 | Very low | 119 Ų | 119 | 102.1 Ų | 102.1 | 73% | 0.73 | 55% | 0.547 | S | S | * | . | trans | -83 | 107.2 | -178.4 | 42.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 331 | N | 40.1 | Very low | 35.2 | Very low | 63 Ų | 63 | 99.2 Ų | 99.2 | 34% | 0.337 | 53% | 0.531 | S | S | . | . | trans | -113.1 | 97.1 | 164.7 | -91.7 | 38.6 | 0 | 0 | 0 | 107.7 | R95 S329 Y333 | R95-N331 VanDerWaalsContact CZ-ND2 3.25Å; R95-N331 PolarHBondContact NH1-ND2 3.12Å; R95-N331 VanDerWaalsContact NH1-ND2 3.17Å; R95-N331 PolarHBondContact NH2-ND2 2.81Å; S329-N331 PolarHBondContact O-N 3.33Å; N331-Y333 HydrophobicContact CB-CE2 4.3Å; N331-Y333 VanDerWaalsContact O-CD2 3.27Å; N331-Y333 WeakPolarHBondContact O-CD2 3.34Å | ||
| 332 | S | 37.4 | Very low | 35.2 | Very low | 64 Ų | 64 | 98.1 Ų | 98.1 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | trans | -70.6 | 131.5 | 175.5 | 47.2 | 0 | 0 | 0 | 0 | 110.4 | R152 | R152-S332 WeakPolarHBondContact CD-O 3.33Š| ||
| 333 | Y | 41.9 | Very low | 35.2 | Very low | 16 Ų | 16 | 90.5 Ų | 90.5 | 6% | 0.063 | 49% | 0.486 | C | S | . | . | trans | -113.3 | 107.4 | 174.7 | -71.2 | -98.7 | 0 | 0 | 0 | 109.3 | R95 C118 L119 R152 V154 N331 | R95-Y333 PolarHBondContact NH1-OH 2.83Å; C118-Y333 WeakPolarHBondContact SG-CB 3.5Å; L119-Y333 HydrophobicContact CB-CD2 4.29Å; L119-Y333 HydrophobicContact CD1-CE2 4.46Å; L119-Y333 HydrophobicContact CD2-CD2 4.24Å; L119-Y333 HydrophobicContact CD2-CE2 4.05Å; R152-Y333 HydrophobicContact CB-CD1 3.49Å; R152-Y333 VanDerWaalsContact CB-CD1 3.49Å; R152-Y333 HydrophobicContact CB-CE1 4.01Å; R152-Y333 HydrophobicContact CB-CG 4.01Å; R152-Y333 CarbonylContact O-C 3.59Å; R152-Y333 WeakPolarHBondContact O-CA 3.36Å; R152-Y333 VanDerWaalsContact O-CB 3.25Å; R152-Y333 WeakPolarHBondContact O-CB 3.35Å; V154-Y333 HydrophobicContact CB-CD1 4.12Å; V154-Y333 HydrophobicContact CB-CE1 3.81Å; V154-Y333 HydrophobicContact CG1-CD1 4.02Å; V154-Y333 HydrophobicContact CG1-CE1 4Å; V154-Y333 HydrophobicContact CG1-CG 4.41Å; N331-Y333 HydrophobicContact CB-CE2 4.3Å; N331-Y333 VanDerWaalsContact O-CD2 3.27Å; N331-Y333 WeakPolarHBondContact O-CD2 3.34Å | ||
| 334 | Q | 47.1 | Very low | 35.5 | Very low | 20 Ų | 20 | 86.8 Ų | 86.8 | 9% | 0.093 | 47% | 0.471 | C | S | . | . | trans | -147.4 | 149.5 | 171.8 | -82.9 | -152.1 | -1.5 | 0 | 0 | 110.7 | F7 F151 R152 R172 | F7-Q334 HydrophobicContact CE2-CG 4.42Å; F7-Q334 VanDerWaalsContact CE2-NE2 3.33Å; F151-Q334 CarbonylContact C-O 3.57Å; F151-Q334 WeakPolarHBondContact CA-O 3.37Å; F151-Q334 WeakPolarHBondContact CB-O 3.36Å; F151-Q334 WeakPolarHBondContact CD1-O 3.39Å; F151-Q334 WeakPolarHBondContact CG-O 3.4Å; R152-Q334 PolarHBondContact N-O 3.29Å; R152-Q334 CarbonylContact O-C 3.58Å; R152-Q334 PolarHBondContact O-N 2.81Å; R172-Q334 VanDerWaalsContact NH2-CB 3.26Å | ||
| 335 | V | 33.5 | Very low | 35.7 | Very low | 7 Ų | 7 | 89.3 Ų | 89.3 | 4% | 0.042 | 46% | 0.464 | C | S | . | . | trans | -126.1 | 100.1 | 169.2 | 171.5 | 0 | 0 | 0 | 0 | 106 | F151 H153 R172 L176 Y197 H202 | F151-V335 HydrophobicContact CB-CG2 4.27Å; H153-V335 HydrophobicContact CB-CG2 3.77Å; R172-V335 PolarHBondContact NE-O 3.25Å; R172-V335 PolarHBondContact NH2-O 3.23Å; L176-V335 HydrophobicContact CD1-CG1 4.04Å; Y197-V335 HydrophobicContact CE1-CG1 4.1Å; Y197-V335 HydrophobicContact CE1-CG2 3.7Å; H202-V335 WeakPolarHBondContact NE2-CG1 3.36Å | ||
| 336 | R | 37 | Very low | 36.3 | Very low | 88 Ų | 88 | 75.3 Ų | 75.3 | 33% | 0.332 | 42% | 0.422 | S | S | . | . | trans | -91.4 | 107 | -166.9 | -163 | -174 | -153.7 | -179.6 | 3.9 | 109.3 | F151 | F151-R336 HydrophobicContact CD1-CB 4.26Å; F151-R336 HydrophobicContact CE1-CB 3.4Å; F151-R336 VanDerWaalsContact CE1-CB 3.4Å; F151-R336 HydrophobicContact CZ-CB 3.74Å | ||
| 337 | I | 38.7 | Very low | 36.5 | Very low | 102 Ų | 102 | 73.5 Ų | 73.5 | 52% | 0.523 | 40% | 0.399 | S | S | . | . | trans | -135.1 | 0 | 138.2 | -53.6 | 176.3 | 0 | 0 | 0 | 105.1 | F146 R173 H200 | F146-I337 HydrophobicContact CE1-CG1 4.39Å; R173-I337 PolarHBondContact NE-O 2.76Å; R173-I337 PolarHBondContact NH2-O 3.23Å; H200-I337 HydrophobicContact CB-CD1 3.99Å; H200-I337 WeakPolarHBondContact O-CD1 3.14Å |
Retrieved 337 of 337 residues in 477.7 ms
(Link to these results)