| 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 | Q | 36.3 | Very low | 70.7 | Confident | 236 Ų | 236 | 104.8 Ų | 104.8 | 100% | 1.103 | 59% | 0.588 | S | S | * | * | 0 | 130.6 | 0 | -81.2 | 164.3 | -51.4 | 0 | 0 | 107.3 | G3 | Q1-G3 PolarHBondContact O-N 2.87Å; Q1-G3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | P | 44.6 | Very low | 72.4 | Confident | 133 Ų | 133 | 101.5 Ų | 101.5 | 86% | 0.864 | 57% | 0.568 | S | S | * | * | trans | -64.7 | 116.1 | 172.6 | -2.2 | 18.2 | 0 | 0 | 0 | 106.7 | ||||
| 3 | G | 55.8 | Low | 73.9 | Confident | 63 Ų | 63 | 97.8 Ų | 97.8 | 65% | 0.649 | 56% | 0.558 | S | S | * | * | trans | -59.8 | 140.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q1 A5 | Q1-G3 PolarHBondContact O-N 2.87Å; Q1-G3 VanDerWaalsContact O-N 3.14Å; G3-A5 PolarHBondContact O-N 2.94Å | ||
| 4 | V | 66.6 | Low | 75.1 | Confident | 132 Ų | 132 | 95.4 Ų | 95.4 | 80% | 0.8 | 54% | 0.543 | S | S | * | . | trans | -65.5 | 86.8 | 179.2 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 5 | A | 68.1 | Low | 76.2 | Confident | 65 Ų | 65 | 91.5 Ų | 91.5 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 142.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | G3 | G3-A5 PolarHBondContact O-N 2.94Š|
| 6 | M | 81.3 | Confident | 77.3 | Confident | 48 Ų | 48 | 91.3 Ų | 91.3 | 24% | 0.236 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 165.4 | 172.8 | -64.6 | 173 | 93.3 | 0 | 0 | 110.3 | L10 I100 L104 Y105 | M6-L10 HydrophobicContact CB-CD2 3.81Å; M6-L10 HydrophobicContact CE-CD2 3.14Å; M6-L10 HydrophobicContact CE-CG 4.45Å; M6-L10 HydrophobicContact CG-CD2 4.22Å; M6-L10 HydrophobicContact SD-CD2 4.03Å; M6-I100 HydrophobicContact CE-CD1 4.24Å; M6-I100 HydrophobicContact CE-CG2 4.26Å; M6-I100 HydrophobicContact SD-CG2 3.8Å; M6-L104 WeakPolarHBondContact CB-O 3.37Å; M6-L104 HydrophobicContact CG-CB 4.01Å; M6-L104 PolarHBondContact N-O 2.81Å; M6-L104 HydrophobicContact SD-CB 3.84Å; M6-Y105 HydrophobicContact SD-CD1 4.31Å; M6-Y105 HydrophobicContact SD-CE1 4.28Å |
| 7 | Q | 82.8 | Confident | 78.2 | Confident | 134 Ų | 134 | 88.8 Ų | 88.8 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 141.7 | 178.3 | -162.5 | 179.5 | -63.9 | 0 | 0 | 111.1 | D9 L10 | Q7-D9 VanDerWaalsContact CD-OD1 3.31Å; Q7-D9 WeakPolarHBondContact CG-OD1 3.24Å; Q7-D9 VanDerWaalsContact NE2-CG 3.35Å; Q7-D9 PolarHBondContact NE2-OD1 3.09Å; Q7-D9 PolarHBondContact NE2-OD2 3.09Å; Q7-D9 PolarHBondContact O-N 3.15Å; Q7-D9 VanDerWaalsContact O-N 3.08Å; Q7-L10 HydrophobicContact CB-CB 4.33Å; Q7-L10 WeakPolarHBondContact O-CB 3.12Å; Q7-L10 PolarHBondContact O-N 2.78Å |
| 8 | E | 81.3 | Confident | 79 | Confident | 165 Ų | 165 | 85.9 Ų | 85.9 | 77% | 0.771 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -27.3 | -166.6 | -71 | -171.5 | 164.7 | 0 | 0 | 114.9 | W11 S106 | E8-W11 PolarHBondContact O-NE1 2.81Å; E8-S106 PolarHBondContact O-OG 3.37Å |
| 9 | D | 84.6 | Confident | 79.7 | Confident | 86 Ų | 86 | 85.2 Ų | 85.2 | 46% | 0.46 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -3.6 | -177.8 | 60.5 | -16.2 | 0 | 0 | 0 | 113.9 | Q7 W11 D12 A13 | Q7-D9 VanDerWaalsContact CD-OD1 3.31Å; Q7-D9 WeakPolarHBondContact CG-OD1 3.24Å; Q7-D9 VanDerWaalsContact NE2-CG 3.35Å; Q7-D9 PolarHBondContact NE2-OD1 3.09Å; Q7-D9 PolarHBondContact NE2-OD2 3.09Å; Q7-D9 PolarHBondContact O-N 3.15Å; Q7-D9 VanDerWaalsContact O-N 3.08Å; D9-W11 VanDerWaalsContact C-N 3.34Å; D9-W11 PolarHBondContact O-N 2.96Å; D9-D12 WeakPolarHBondContact O-CB 3.46Å; D9-D12 PolarHBondContact O-N 3.01Å; D9-A13 PolarHBondContact O-N 3.02Å; D9-A13 VanDerWaalsContact O-N 3.09Å |
| 10 | L | 87.4 | Confident | 80.6 | Confident | 52 Ų | 52 | 85 Ų | 85 | 27% | 0.272 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.3 | -35.8 | -167.9 | -164.2 | 69.8 | 0 | 0 | 0 | 113.1 | M6 Q7 D12 A13 D14 | M6-L10 HydrophobicContact CB-CD2 3.81Å; M6-L10 HydrophobicContact CE-CD2 3.14Å; M6-L10 HydrophobicContact CE-CG 4.45Å; M6-L10 HydrophobicContact CG-CD2 4.22Å; M6-L10 HydrophobicContact SD-CD2 4.03Å; Q7-L10 HydrophobicContact CB-CB 4.33Å; Q7-L10 WeakPolarHBondContact O-CB 3.12Å; Q7-L10 PolarHBondContact O-N 2.78Å; L10-D12 PolarHBondContact O-N 3.39Å; L10-A13 PolarHBondContact O-N 2.82Å; L10-D14 PolarHBondContact O-N 2.93Å |
| 11 | W | 88.9 | Confident | 81.2 | Confident | 39 Ų | 39 | 86.3 Ų | 86.3 | 15% | 0.148 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -63.2 | -31.3 | 175.5 | 70.3 | -85.5 | 0 | 0 | 0 | 112.2 | E8 D9 W15 Y105 V110 F111 K114 | E8-W11 PolarHBondContact O-NE1 2.81Å; D9-W11 VanDerWaalsContact C-N 3.34Å; D9-W11 PolarHBondContact O-N 2.96Å; W11-W15 WeakPolarHBondContact O-CB 3.38Å; W11-W15 PolarHBondContact O-N 3.49Å; W11-W15 VanDerWaalsContact O-N 3.12Å; W11-Y105 HydrophobicContact CB-CD1 3.4Å; W11-Y105 VanDerWaalsContact CB-CD1 3.4Å; W11-Y105 HydrophobicContact CB-CE1 3.95Å; W11-Y105 HydrophobicContact CB-CG 3.94Å; W11-V110 HydrophobicContact CE3-CG1 4.46Å; W11-V110 HydrophobicContact CH2-CG1 3.6Å; W11-V110 HydrophobicContact CZ2-CG1 4.37Å; W11-V110 HydrophobicContact CZ3-CG1 3.61Å; W11-F111 HydrophobicContact CB-CB 4.37Å; W11-F111 HydrophobicContact CB-CD1 4.38Å; W11-F111 HydrophobicContact CB-CG 4.26Å; W11-F111 HydrophobicContact CE3-CB 4.23Å; W11-F111 HydrophobicContact CE3-CD2 4.34Å; W11-K114 HydrophobicContact CZ3-CD 3.92Å; W11-K114 VanDerWaalsContact CZ3-NZ 3.27Å |
| 12 | D | 90.9 | Very high | 83.9 | Confident | 65 Ų | 65 | 77.2 Ų | 77.2 | 35% | 0.348 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -76.7 | -42.8 | 179.8 | -156.2 | 32.6 | 0 | 0 | 0 | 109.9 | D9 L10 D14 W15 D16 K114 | D9-D12 WeakPolarHBondContact O-CB 3.46Å; D9-D12 PolarHBondContact O-N 3.01Å; L10-D12 PolarHBondContact O-N 3.39Å; D12-D14 PolarHBondContact O-N 3.45Å; D12-W15 WeakPolarHBondContact O-CB 3.43Å; D12-W15 PolarHBondContact O-N 3.34Å; D12-D16 WeakPolarHBondContact O-CB 3.33Å; D12-D16 PolarHBondContact O-N 3.34Å; D12-K114 IonicContact OD1-NZ 3.45Å; D12-K114 PolarHBondContact OD1-NZ 3.09Å |
| 13 | A | 91.8 | Very high | 86.3 | Confident | 53 Ų | 53 | 78.8 Ų | 78.8 | 44% | 0.438 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D9 L10 W15 D16 A17 | D9-A13 PolarHBondContact O-N 3.02Å; D9-A13 VanDerWaalsContact O-N 3.09Å; L10-A13 PolarHBondContact O-N 2.82Å; A13-W15 VanDerWaalsContact C-N 3.31Å; A13-W15 PolarHBondContact O-N 3.31Å; A13-D16 PolarHBondContact O-N 3.11Å; A13-A17 WeakPolarHBondContact O-CB 3.32Å; A13-A17 PolarHBondContact O-N 3.49Å |
| 14 | D | 90.6 | Very high | 88.2 | Confident | 65 Ų | 65 | 78.7 Ų | 78.7 | 35% | 0.348 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 176.6 | -78 | -24.4 | 0 | 0 | 0 | 111.8 | L10 D12 H18 Y105 | L10-D14 PolarHBondContact O-N 2.93Å; D12-D14 PolarHBondContact O-N 3.45Å; D14-H18 WeakPolarHBondContact O-CB 3.27Å; D14-H18 PolarHBondContact O-N 3.05Å; D14-Y105 PolarHBondContact OD2-OH 3.49Å |
| 15 | W | 92 | Very high | 89.5 | Confident | 37 Ų | 37 | 73.9 Ų | 73.9 | 14% | 0.14 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.4 | -44 | 176 | -178.4 | -100.8 | 0 | 0 | 0 | 112.5 | W11 D12 A13 H18 Q19 F111 K114 R118 | W11-W15 WeakPolarHBondContact O-CB 3.38Å; W11-W15 PolarHBondContact O-N 3.49Å; W11-W15 VanDerWaalsContact O-N 3.12Å; D12-W15 WeakPolarHBondContact O-CB 3.43Å; D12-W15 PolarHBondContact O-N 3.34Å; A13-W15 VanDerWaalsContact C-N 3.31Å; A13-W15 PolarHBondContact O-N 3.31Å; W15-H18 WeakPolarHBondContact O-CB 3.15Å; W15-H18 PolarHBondContact O-N 3.47Å; W15-Q19 HydrophobicContact CD2-CG 4.34Å; W15-Q19 HydrophobicContact CG-CG 4.49Å; W15-Q19 HydrophobicContact CZ2-CG 4.27Å; W15-Q19 WeakPolarHBondContact O-CG 3.46Å; W15-Q19 PolarHBondContact O-N 3.1Å; W15-F111 HydrophobicContact CB-CE2 4.3Å; W15-F111 HydrophobicContact CE3-CE2 4.01Å; W15-K114 HydrophobicContact CD2-CB 4.25Å; W15-K114 HydrophobicContact CD2-CD 3.65Å; W15-K114 HydrophobicContact CD2-CG 4.37Å; W15-K114 HydrophobicContact CE3-CB 4.05Å; W15-K114 HydrophobicContact CE3-CD 4.24Å; W15-K114 HydrophobicContact CG-CD 3.79Å; W15-K114 HydrophobicContact CH2-CB 3.71Å; W15-K114 HydrophobicContact CH2-CG 4.36Å; W15-K114 HydrophobicContact CZ2-CB 3.95Å; W15-K114 HydrophobicContact CZ2-CD 4.15Å; W15-K114 HydrophobicContact CZ2-CG 4.07Å; W15-K114 HydrophobicContact CZ3-CB 3.79Å; W15-R118 HydrophobicContact CH2-CB 4.06Å; W15-R118 HydrophobicContact CH2-CG 4.45Å; W15-R118 HydrophobicContact CZ3-CB 4.43Å |
| 16 | D | 94.3 | Very high | 90.7 | Very high | 87 Ų | 87 | 73.7 Ų | 73.7 | 47% | 0.465 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 179 | -80.2 | -7.2 | 0 | 0 | 0 | 111.9 | D12 A13 Q19 S20 | D12-D16 WeakPolarHBondContact O-CB 3.33Å; D12-D16 PolarHBondContact O-N 3.34Å; A13-D16 PolarHBondContact O-N 3.11Å; D16-Q19 PolarHBondContact O-N 3.22Å; D16-S20 VanDerWaalsContact O-CB 3.32Å; D16-S20 WeakPolarHBondContact O-CB 3.47Å; D16-S20 PolarHBondContact O-N 2.85Å; D16-S20 PolarHBondContact O-OG 2.82Å |
| 17 | A | 92.8 | Very high | 91.4 | Very high | 49 Ų | 49 | 72.6 Ų | 72.6 | 41% | 0.405 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A13 Q19 S20 L21 | A13-A17 WeakPolarHBondContact O-CB 3.32Å; A13-A17 PolarHBondContact O-N 3.49Å; A17-Q19 PolarHBondContact O-N 3.49Å; A17-S20 PolarHBondContact O-N 2.84Å; A17-L21 WeakPolarHBondContact O-CB 3.08Å; A17-L21 WeakPolarHBondContact O-CG 3.38Å; A17-L21 PolarHBondContact O-N 2.78Å |
| 18 | H | 91.4 | Very high | 91.9 | Very high | 38 Ų | 38 | 69.8 Ų | 69.8 | 18% | 0.176 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.7 | -49.7 | 175.3 | 174.8 | 82.2 | 0 | 0 | 0 | 112 | D14 W15 S20 L21 F22 R118 | D14-H18 WeakPolarHBondContact O-CB 3.27Å; D14-H18 PolarHBondContact O-N 3.05Å; W15-H18 WeakPolarHBondContact O-CB 3.15Å; W15-H18 PolarHBondContact O-N 3.47Å; H18-S20 PolarHBondContact O-N 2.84Å; H18-L21 PolarHBondContact O-N 2.97Å; H18-F22 VanDerWaalsContact O-CB 3.22Å; H18-F22 WeakPolarHBondContact O-CB 3.27Å; H18-F22 PolarHBondContact O-N 3.03Å; H18-R118 PolarHBondContact NE2-NE 3.32Å |
| 19 | Q | 93.4 | Very high | 92.4 | Very high | 72 Ų | 72 | 66.8 Ų | 66.8 | 34% | 0.336 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | -178.4 | -72.3 | -59.4 | -46.8 | 0 | 0 | 111.8 | W15 D16 A17 F22 K23 | W15-Q19 HydrophobicContact CD2-CG 4.34Å; W15-Q19 HydrophobicContact CG-CG 4.49Å; W15-Q19 HydrophobicContact CZ2-CG 4.27Å; W15-Q19 WeakPolarHBondContact O-CG 3.46Å; W15-Q19 PolarHBondContact O-N 3.1Å; D16-Q19 PolarHBondContact O-N 3.22Å; A17-Q19 PolarHBondContact O-N 3.49Å; Q19-F22 PolarHBondContact O-N 3.32Å; Q19-K23 VanDerWaalsContact O-CB 3.26Å; Q19-K23 WeakPolarHBondContact O-CB 3.39Å; Q19-K23 PolarHBondContact O-N 3.46Å |
| 20 | S | 96.3 | Very high | 92.8 | Very high | 80 Ų | 80 | 69.5 Ų | 69.5 | 56% | 0.559 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.9 | -48.6 | 179.6 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | D16 A17 H18 K23 A24 | D16-S20 VanDerWaalsContact O-CB 3.32Å; D16-S20 WeakPolarHBondContact O-CB 3.47Å; D16-S20 PolarHBondContact O-N 2.85Å; D16-S20 PolarHBondContact O-OG 2.82Å; A17-S20 PolarHBondContact O-N 2.84Å; H18-S20 PolarHBondContact O-N 2.84Å; S20-K23 PolarHBondContact O-N 2.81Å; S20-A24 PolarHBondContact O-N 3.29Å; S20-A24 VanDerWaalsContact O-N 3.11Å |
| 21 | L | 94.3 | Very high | 93 | Very high | 113 Ų | 113 | 73.5 Ų | 73.5 | 59% | 0.592 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -66.3 | -42.1 | 178.3 | -68.7 | 170.7 | 0 | 0 | 0 | 111.9 | A17 H18 K23 A24 W25 W60 | A17-L21 WeakPolarHBondContact O-CB 3.08Å; A17-L21 WeakPolarHBondContact O-CG 3.38Å; A17-L21 PolarHBondContact O-N 2.78Å; H18-L21 PolarHBondContact O-N 2.97Å; L21-K23 VanDerWaalsContact C-N 3.35Å; L21-K23 PolarHBondContact O-N 2.84Å; L21-A24 PolarHBondContact O-N 3.4Å; L21-W25 PolarHBondContact O-N 2.84Å; L21-W60 HydrophobicContact CB-CH2 3.78Å; L21-W60 HydrophobicContact CB-CZ3 4.34Å |
| 22 | F | 93 | Very high | 92.8 | Very high | 46 Ų | 46 | 74.3 Ų | 74.3 | 20% | 0.202 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.3 | -37.6 | -179.6 | -174.1 | -111.2 | 0 | 0 | 0 | 111.8 | H18 Q19 W25 M26 W60 | H18-F22 VanDerWaalsContact O-CB 3.22Å; H18-F22 WeakPolarHBondContact O-CB 3.27Å; H18-F22 PolarHBondContact O-N 3.03Å; Q19-F22 PolarHBondContact O-N 3.32Å; F22-W25 AromaticContact CE2-CD1 3.78Å; F22-W25 WeakPolarHBondContact O-CB 3.34Å; F22-W25 PolarHBondContact O-N 3.15Å; F22-M26 HydrophobicContact CD1-CG 4.29Å; F22-M26 HydrophobicContact CE1-CG 3.8Å; F22-M26 HydrophobicContact CE1-SD 4.25Å; F22-M26 HydrophobicContact CE2-CG 4.27Å; F22-M26 HydrophobicContact CE2-SD 4.25Å; F22-M26 HydrophobicContact CZ-CG 3.77Å; F22-M26 HydrophobicContact CZ-SD 3.7Å; F22-M26 WeakPolarHBondContact O-CG 3.41Å; F22-M26 PolarHBondContact O-N 3.46Å; F22-W60 HydrophobicContact CB-CH2 3.99Å; F22-W60 HydrophobicContact CB-CZ2 4.17Å; F22-W60 HydrophobicContact CD2-CD2 4.07Å; F22-W60 AromaticContact CD2-CE2 3.96Å; F22-W60 HydrophobicContact CD2-CE3 4.32Å; F22-W60 HydrophobicContact CD2-CH2 4.28Å; F22-W60 HydrophobicContact CD2-CZ2 4.06Å; F22-W60 HydrophobicContact CD2-CZ3 4.41Å |
| 23 | K | 95.1 | Very high | 92.5 | Very high | 166 Ų | 166 | 73.3 Ų | 73.3 | 72% | 0.722 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.1 | -45.2 | 173 | -176.9 | 179.3 | 178.4 | -178.9 | 0 | 111.7 | Q19 S20 L21 W25 M26 G27 | Q19-K23 VanDerWaalsContact O-CB 3.26Å; Q19-K23 WeakPolarHBondContact O-CB 3.39Å; Q19-K23 PolarHBondContact O-N 3.46Å; S20-K23 PolarHBondContact O-N 2.81Å; L21-K23 VanDerWaalsContact C-N 3.35Å; L21-K23 PolarHBondContact O-N 2.84Å; K23-W25 VanDerWaalsContact C-N 3.33Å; K23-W25 PolarHBondContact O-N 2.91Å; K23-M26 PolarHBondContact O-N 3.29Å; K23-G27 PolarHBondContact O-N 3.08Å; K23-G27 VanDerWaalsContact O-N 3.08Å |
| 24 | A | 94.9 | Very high | 92.4 | Very high | 61 Ų | 61 | 71.8 Ų | 71.8 | 50% | 0.504 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S20 L21 M26 G27 I28 | S20-A24 PolarHBondContact O-N 3.29Å; S20-A24 VanDerWaalsContact O-N 3.11Å; L21-A24 PolarHBondContact O-N 3.4Å; A24-M26 PolarHBondContact O-N 3.1Å; A24-G27 PolarHBondContact O-N 3.38Å; A24-I28 PolarHBondContact O-N 2.87Å; A24-I28 VanDerWaalsContact O-N 3.1Å |
| 25 | W | 93.8 | Very high | 92.4 | Very high | 30 Ų | 30 | 75.5 Ų | 75.5 | 11% | 0.114 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.4 | -45 | 174.6 | 165.9 | -107.1 | 0 | 0 | 0 | 113.1 | L21 F22 K23 G27 I28 K29 H34 L58 W60 | L21-W25 PolarHBondContact O-N 2.84Å; F22-W25 AromaticContact CE2-CD1 3.78Å; F22-W25 WeakPolarHBondContact O-CB 3.34Å; F22-W25 PolarHBondContact O-N 3.15Å; K23-W25 VanDerWaalsContact C-N 3.33Å; K23-W25 PolarHBondContact O-N 2.91Å; W25-G27 VanDerWaalsContact C-N 3.27Å; W25-G27 PolarHBondContact O-N 3.49Å; W25-I28 HydrophobicContact CZ3-CG2 4.42Å; W25-I28 WeakPolarHBondContact O-CB 3.38Å; W25-I28 PolarHBondContact O-N 3.2Å; W25-I28 VanDerWaalsContact O-N 3.1Å; W25-K29 HydrophobicContact CZ2-CB 4.45Å; W25-K29 HydrophobicContact CZ2-CD 4.34Å; W25-K29 PolarHBondContact O-N 2.89Å; W25-H34 HydrophobicContact CH2-CB 3.76Å; W25-H34 HydrophobicContact CZ3-CB 4.17Å; W25-L58 HydrophobicContact CH2-CB 4.14Å; W25-L58 VanDerWaalsContact CH2-O 3.25Å; W25-L58 WeakPolarHBondContact CH2-O 3.33Å; W25-L58 HydrophobicContact CZ3-CB 3.94Å; W25-W60 HydrophobicContact CB-CE3 3.41Å; W25-W60 VanDerWaalsContact CB-CE3 3.41Å; W25-W60 HydrophobicContact CB-CZ3 3.46Å; W25-W60 VanDerWaalsContact CB-CZ3 3.46Å; W25-W60 AromaticContact CD1-CE3 3.66Å; W25-W60 HydrophobicContact CD2-CB 4.31Å; W25-W60 AromaticContact CD2-CE3 3.96Å; W25-W60 HydrophobicContact CD2-CE3 3.96Å; W25-W60 HydrophobicContact CG-CB 4.46Å; W25-W60 HydrophobicContact CG-CD2 4.19Å; W25-W60 AromaticContact CG-CE3 3.34Å; W25-W60 HydrophobicContact CG-CE3 3.34Å; W25-W60 AromaticContact CG-CZ3 3.96Å; W25-W60 HydrophobicContact CG-CZ3 3.96Å; W25-W60 HydrophobicContact CZ2-CB 4.31Å |
| 26 | M | 94.5 | Very high | 92.2 | Very high | 61 Ų | 61 | 79.4 Ų | 79.4 | 30% | 0.3 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.3 | -41 | 176.4 | -74.1 | -58.7 | -57.5 | 0 | 0 | 111.5 | F22 K23 A24 I28 K29 E30 | F22-M26 HydrophobicContact CD1-CG 4.29Å; F22-M26 HydrophobicContact CE1-CG 3.8Å; F22-M26 HydrophobicContact CE1-SD 4.25Å; F22-M26 HydrophobicContact CE2-CG 4.27Å; F22-M26 HydrophobicContact CE2-SD 4.25Å; F22-M26 HydrophobicContact CZ-CG 3.77Å; F22-M26 HydrophobicContact CZ-SD 3.7Å; F22-M26 WeakPolarHBondContact O-CG 3.41Å; F22-M26 PolarHBondContact O-N 3.46Å; K23-M26 PolarHBondContact O-N 3.29Å; A24-M26 PolarHBondContact O-N 3.1Å; M26-I28 VanDerWaalsContact C-N 3.33Å; M26-I28 PolarHBondContact O-N 3.49Å; M26-K29 PolarHBondContact O-N 3.48Å; M26-K29 VanDerWaalsContact O-N 3.15Å; M26-E30 WeakPolarHBondContact O-CB 3.44Å; M26-E30 VanDerWaalsContact O-CG 3.27Å; M26-E30 WeakPolarHBondContact O-CG 3.49Å; M26-E30 PolarHBondContact O-N 3.3Å |
| 27 | G | 94.9 | Very high | 92 | Very high | 25 Ų | 25 | 79.3 Ų | 79.3 | 26% | 0.258 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K23 A24 W25 N31 | K23-G27 PolarHBondContact O-N 3.08Å; K23-G27 VanDerWaalsContact O-N 3.08Å; A24-G27 PolarHBondContact O-N 3.38Å; W25-G27 VanDerWaalsContact C-N 3.27Å; W25-G27 PolarHBondContact O-N 3.49Å; G27-N31 PolarHBondContact O-N 3.32Å; G27-N31 PolarHBondContact O-ND2 3.17Å |
| 28 | I | 93.1 | Very high | 91.7 | Very high | 76 Ų | 76 | 79.8 Ų | 79.8 | 39% | 0.39 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 173.5 | -65.1 | 167.3 | 0 | 0 | 0 | 110.6 | A24 W25 M26 N31 A32 G33 H34 | A24-I28 PolarHBondContact O-N 2.87Å; A24-I28 VanDerWaalsContact O-N 3.1Å; W25-I28 HydrophobicContact CZ3-CG2 4.42Å; W25-I28 WeakPolarHBondContact O-CB 3.38Å; W25-I28 PolarHBondContact O-N 3.2Å; W25-I28 VanDerWaalsContact O-N 3.1Å; M26-I28 VanDerWaalsContact C-N 3.33Å; M26-I28 PolarHBondContact O-N 3.49Å; I28-N31 PolarHBondContact O-N 3.38Å; I28-A32 PolarHBondContact O-N 3.46Å; I28-G33 PolarHBondContact O-N 3.38Å; I28-H34 HydrophobicContact CG2-CB 4.31Å |
| 29 | K | 91.7 | Very high | 91.7 | Very high | 102 Ų | 102 | 84.1 Ų | 84.1 | 44% | 0.443 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65 | -46.8 | -177 | -168.5 | 177.6 | -178.1 | 178.5 | 0 | 111.9 | W25 M26 N31 A32 H34 | W25-K29 HydrophobicContact CZ2-CB 4.45Å; W25-K29 HydrophobicContact CZ2-CD 4.34Å; W25-K29 PolarHBondContact O-N 2.89Å; M26-K29 PolarHBondContact O-N 3.48Å; M26-K29 VanDerWaalsContact O-N 3.15Å; K29-N31 VanDerWaalsContact C-N 3.28Å; K29-N31 PolarHBondContact O-N 2.82Å; K29-A32 PolarHBondContact O-N 2.92Å; K29-A32 VanDerWaalsContact O-N 3.09Å; K29-H34 PolarHBondContact O-CE1 2.95Å; K29-H34 PolarHBondContact O-ND1 3.22Å |
| 30 | E | 93.6 | Very high | 91.4 | Very high | 143 Ų | 143 | 85.4 Ų | 85.4 | 67% | 0.668 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -61.4 | -35.6 | 179.6 | -74.1 | 168.8 | -175.5 | 0 | 0 | 112.3 | M26 A32 | M26-E30 WeakPolarHBondContact O-CB 3.44Å; M26-E30 VanDerWaalsContact O-CG 3.27Å; M26-E30 WeakPolarHBondContact O-CG 3.49Å; M26-E30 PolarHBondContact O-N 3.3Å; E30-A32 PolarHBondContact O-N 3.45Å |
| 31 | N | 91.5 | Very high | 91 | Very high | 136 Ų | 136 | 86.7 Ų | 86.7 | 73% | 0.727 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 12 | 177.3 | -68.3 | -49.5 | 0 | 0 | 0 | 114 | G27 I28 K29 G33 | G27-N31 PolarHBondContact O-N 3.32Å; G27-N31 PolarHBondContact O-ND2 3.17Å; I28-N31 PolarHBondContact O-N 3.38Å; K29-N31 VanDerWaalsContact C-N 3.28Å; K29-N31 PolarHBondContact O-N 2.82Å; N31-G33 PolarHBondContact O-N 2.87Å |
| 32 | A | 84.9 | Confident | 90.6 | Very high | 56 Ų | 56 | 83.8 Ų | 83.8 | 46% | 0.463 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 9.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | I28 K29 E30 H34 R35 | I28-A32 PolarHBondContact O-N 3.46Å; K29-A32 PolarHBondContact O-N 2.92Å; K29-A32 VanDerWaalsContact O-N 3.09Å; E30-A32 PolarHBondContact O-N 3.45Å; A32-H34 PolarHBondContact O-N 3.46Å; A32-H34 VanDerWaalsContact O-N 3.09Å; A32-R35 PolarHBondContact O-N 3.42Å |
| 33 | G | 85.5 | Confident | 90.2 | Very high | 43 Ų | 43 | 85.8 Ų | 85.8 | 44% | 0.443 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -12.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I28 N31 R35 | I28-G33 PolarHBondContact O-N 3.38Å; N31-G33 PolarHBondContact O-N 2.87Å; G33-R35 VanDerWaalsContact C-N 3.26Å; G33-R35 PolarHBondContact O-N 3.48Å |
| 34 | H | 88.1 | Confident | 89.7 | Confident | 22 Ų | 22 | 80.8 Ų | 80.8 | 10% | 0.102 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -14.7 | 171.1 | 66.9 | -66.8 | 0 | 0 | 0 | 113.5 | W25 I28 K29 A32 E57 L58 | W25-H34 HydrophobicContact CH2-CB 3.76Å; W25-H34 HydrophobicContact CZ3-CB 4.17Å; I28-H34 HydrophobicContact CG2-CB 4.31Å; K29-H34 PolarHBondContact O-CE1 2.95Å; K29-H34 PolarHBondContact O-ND1 3.22Å; A32-H34 PolarHBondContact O-N 3.46Å; A32-H34 VanDerWaalsContact O-N 3.09Å; H34-E57 IonicContact CD2-OE1 3.39Å; H34-E57 PolarHBondContact CD2-OE1 3.03Å; H34-E57 IonicContact NE2-OE1 3.8Å; H34-E57 CarbonylContact O-C 3.51Å; H34-E57 VanDerWaalsContact O-CA 3.27Å; H34-E57 WeakPolarHBondContact O-CA 3.49Å; H34-L58 HydrophobicContact CB-CB 4.17Å; H34-L58 PolarHBondContact O-N 3.12Å |
| 35 | R | 90.9 | Very high | 89.4 | Confident | 143 Ų | 143 | 86.4 Ų | 86.4 | 54% | 0.54 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 122.8 | -175.4 | -63.3 | 174.8 | 70.6 | -177.3 | 4.1 | 111.1 | A32 G33 E57 | A32-R35 PolarHBondContact O-N 3.42Å; G33-R35 VanDerWaalsContact C-N 3.26Å; G33-R35 PolarHBondContact O-N 3.48Å; R35-E57 HydrophobicContact CG-CG 4.21Å |
| 36 | L | 88 | Confident | 89 | Confident | 119 Ų | 119 | 93.5 Ų | 93.5 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.3 | 172.4 | -79.3 | 156.5 | 0 | 0 | 0 | 108.9 | S55 A56 | L36-S55 CarbonylContact O-C 3.58Å; L36-S55 VanDerWaalsContact O-CA 3.27Å; L36-S55 WeakPolarHBondContact O-CA 3.36Å; L36-A56 HydrophobicContact CB-CB 4.37Å; L36-A56 PolarHBondContact N-O 2.96Å; L36-A56 PolarHBondContact O-N 3.43Å |
| 37 | N | 89.4 | Confident | 88 | Confident | 84 Ų | 84 | 96.4 Ų | 96.4 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131.4 | 173.4 | -63.1 | -73 | 0 | 0 | 0 | 108.8 | K53 V54 S55 | N37-K53 WeakPolarHBondContact OD1-CE 3.42Å; N37-K53 PolarHBondContact OD1-NZ 2.86Å; N37-V54 CarbonylContact C-O 3.59Å; N37-V54 WeakPolarHBondContact CA-O 3.43Å; N37-S55 WeakPolarHBondContact OD1-CB 3.48Å |
| 38 | A | 88.4 | Confident | 87.4 | Confident | 59 Ų | 59 | 102.7 Ų | 102.7 | 49% | 0.488 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 145 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | K53 V54 | A38-K53 CarbonylContact O-C 3.58Å; A38-K53 WeakPolarHBondContact O-CA 3.26Å; A38-V54 PolarHBondContact N-O 3.34Å; A38-V54 PolarHBondContact O-N 3.35Å |
| 39 | M | 89.6 | Confident | 86.9 | Confident | 130 Ų | 130 | 104.4 Ų | 104.4 | 64% | 0.64 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.6 | 172.3 | -62.5 | -67.3 | -109.5 | 0 | 0 | 107.7 | V51 S52 K53 | M39-V51 HydrophobicContact CB-CG1 4.2Å; M39-V51 HydrophobicContact CE-CG1 3.72Å; M39-V51 HydrophobicContact SD-CG1 4.22Å; M39-S52 CarbonylContact C-O 3.53Å; M39-S52 WeakPolarHBondContact CA-O 3.22Å; M39-K53 HydrophobicContact CE-CB 4.45Å; M39-K53 HydrophobicContact SD-CB 3.43Å; M39-K53 WeakPolarHBondContact SD-CB 3.47Å; M39-K53 HydrophobicContact SD-CD 4.17Å; M39-K53 HydrophobicContact SD-CG 3.59Å; M39-K53 VanDerWaalsContact SD-CG 3.59Å |
| 40 | F | 87.8 | Confident | 86.6 | Confident | 98 Ų | 98 | 102.1 Ų | 102.1 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.9 | 173 | 64.6 | -78.4 | 0 | 0 | 0 | 109.6 | V42 S52 V54 | F40-V42 HydrophobicContact CD2-CG2 3.42Å; F40-V42 VanDerWaalsContact CD2-CG2 3.42Å; F40-V42 HydrophobicContact CE2-CG2 3.38Å; F40-S52 WeakPolarHBondContact CD1-O 3.27Å; F40-S52 PolarHBondContact N-O 2.89Å; F40-S52 PolarHBondContact O-N 2.8Å; F40-V54 HydrophobicContact CD1-CG2 3.58Å; F40-V54 HydrophobicContact CE1-CG2 3.24Å; F40-V54 HydrophobicContact CZ-CG2 4.33Å |
| 41 | E | 88.3 | Confident | 86.3 | Confident | 108 Ų | 108 | 99.5 Ų | 99.5 | 51% | 0.505 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124.6 | 176.7 | -168.2 | -169.1 | 128.7 | 0 | 0 | 109.1 | N43 N49 I50 | E41-N43 PolarHBondContact OE1-ND2 2.77Å; E41-N49 PolarHBondContact OE1-OD1 3.39Å; E41-I50 CarbonylContact C-O 3.59Å; E41-I50 WeakPolarHBondContact CA-O 3.39Å |
| 42 | V | 85.8 | Confident | 86.1 | Confident | 52 Ų | 52 | 95 Ų | 95 | 32% | 0.315 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.2 | 176.9 | -173.8 | 0 | 0 | 0 | 0 | 108.5 | F40 T44 I50 | F40-V42 HydrophobicContact CD2-CG2 3.42Å; F40-V42 VanDerWaalsContact CD2-CG2 3.42Å; F40-V42 HydrophobicContact CE2-CG2 3.38Å; V42-T44 HydrophobicContact CG1-CG2 4.21Å; V42-I50 HydrophobicContact CB-CB 4.27Å; V42-I50 PolarHBondContact N-O 3.44Å; V42-I50 WeakPolarHBondContact O-CB 3.25Å; V42-I50 PolarHBondContact O-N 2.72Å |
| 43 | N | 84.8 | Confident | 86.3 | Confident | 88 Ų | 88 | 98.6 Ų | 98.6 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | trans | -109 | 124.8 | 172.2 | -74.7 | -57.2 | 0 | 0 | 0 | 108.3 | E41 K48 N49 | E41-N43 PolarHBondContact OE1-ND2 2.77Å; N43-K48 WeakPolarHBondContact OD1-CA 3.19Å; N43-K48 VanDerWaalsContact OD1-CB 3.24Å; N43-K48 WeakPolarHBondContact OD1-CB 3.33Å; N43-N49 PolarHBondContact OD1-N 3.33Å | ||
| 44 | T | 84.3 | Confident | 86.5 | Confident | 60 Ų | 60 | 100.2 Ų | 100.2 | 37% | 0.368 | 52% | 0.515 | S | S | . | . | trans | -114.5 | 164.6 | 174 | 67 | 0 | 0 | 0 | 0 | 109.5 | V42 L46 Q47 I50 | V42-T44 HydrophobicContact CG1-CG2 4.21Å; T44-L46 PolarHBondContact O-N 3.15Å; T44-Q47 PolarHBondContact N-O 3.02Å; T44-Q47 CarbonylContact O-C 3.55Å; T44-Q47 PolarHBondContact O-N 3.31Å; T44-Q47 VanDerWaalsContact O-O 3.12Å; T44-Q47 PolarHBondContact OG1-N 3.09Å; T44-Q47 PolarHBondContact OG1-O 3.3Å; T44-I50 HydrophobicContact CG2-CD1 4.32Å | ||
| 45 | D | 87.8 | Confident | 86.6 | Confident | 179 Ų | 179 | 103.3 Ų | 103.3 | 96% | 0.957 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -62.4 | -30.6 | 179.8 | -64.5 | -25.1 | 0 | 0 | 0 | 112.9 | ||
| 46 | L | 86.7 | Confident | 86.5 | Confident | 180 Ų | 180 | 99.3 Ų | 99.3 | 94% | 0.942 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -87.8 | -31.4 | 176.8 | -83.4 | 110.3 | 0 | 0 | 0 | 113.7 | T44 | T44-L46 PolarHBondContact O-N 3.15Š|
| 47 | Q | 72.2 | Confident | 86.4 | Confident | 121 Ų | 121 | 99.9 Ų | 99.9 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | trans | -146.4 | 130.4 | -171 | -172.9 | 174.3 | 7.6 | 0 | 0 | 112.1 | T44 I50 | T44-Q47 PolarHBondContact N-O 3.02Å; T44-Q47 CarbonylContact O-C 3.55Å; T44-Q47 PolarHBondContact O-N 3.31Å; T44-Q47 VanDerWaalsContact O-O 3.12Å; T44-Q47 PolarHBondContact OG1-N 3.09Å; T44-Q47 PolarHBondContact OG1-O 3.3Å; Q47-I50 HydrophobicContact CB-CD1 4.14Å; Q47-I50 HydrophobicContact CG-CD1 4.07Å; Q47-I50 HydrophobicContact CG-CG1 3.95Å | ||
| 48 | K | 84.2 | Confident | 86.3 | Confident | 158 Ų | 158 | 100.4 Ų | 100.4 | 69% | 0.687 | 54% | 0.538 | S | S | * | . | trans | -102.4 | 161.2 | 177.8 | -63.5 | -170.1 | 179.8 | -174.9 | 0 | 112.1 | N43 I50 | N43-K48 WeakPolarHBondContact OD1-CA 3.19Å; N43-K48 VanDerWaalsContact OD1-CB 3.24Å; N43-K48 WeakPolarHBondContact OD1-CB 3.33Å; K48-I50 PolarHBondContact O-N 2.69Å | ||
| 49 | N | 81.7 | Confident | 86.1 | Confident | 111 Ų | 111 | 101 Ų | 101 | 59% | 0.594 | 54% | 0.539 | S | S | * | . | trans | 62.2 | 35 | 174.9 | -46.4 | -38.1 | 0 | 0 | 0 | 114.6 | E41 N43 V51 | E41-N49 PolarHBondContact OE1-OD1 3.39Å; N43-N49 PolarHBondContact OD1-N 3.33Å; N49-V51 PolarHBondContact O-N 2.97Å; N49-V51 VanDerWaalsContact O-N 3.09Å | ||
| 50 | I | 85.3 | Confident | 85.9 | Confident | 54 Ų | 54 | 98.1 Ų | 98.1 | 28% | 0.277 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 103.1 | 175.7 | -57.7 | 173.7 | 0 | 0 | 0 | 108 | E41 V42 T44 Q47 K48 | E41-I50 CarbonylContact C-O 3.59Å; E41-I50 WeakPolarHBondContact CA-O 3.39Å; V42-I50 HydrophobicContact CB-CB 4.27Å; V42-I50 PolarHBondContact N-O 3.44Å; V42-I50 WeakPolarHBondContact O-CB 3.25Å; V42-I50 PolarHBondContact O-N 2.72Å; T44-I50 HydrophobicContact CG2-CD1 4.32Å; Q47-I50 HydrophobicContact CB-CD1 4.14Å; Q47-I50 HydrophobicContact CG-CD1 4.07Å; Q47-I50 HydrophobicContact CG-CG1 3.95Å; K48-I50 PolarHBondContact O-N 2.69Å |
| 51 | V | 87.1 | Confident | 85.5 | Confident | 89 Ų | 89 | 98.4 Ų | 98.4 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 120.4 | 177.3 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | M39 N49 | M39-V51 HydrophobicContact CB-CG1 4.2Å; M39-V51 HydrophobicContact CE-CG1 3.72Å; M39-V51 HydrophobicContact SD-CG1 4.22Å; N49-V51 PolarHBondContact O-N 2.97Å; N49-V51 VanDerWaalsContact O-N 3.09Å |
| 52 | S | 88 | Confident | 84.8 | Confident | 40 Ų | 40 | 95.9 Ų | 95.9 | 28% | 0.28 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 136.5 | 177.2 | -70.4 | 0 | 0 | 0 | 0 | 110.6 | M39 F40 | M39-S52 CarbonylContact C-O 3.53Å; M39-S52 WeakPolarHBondContact CA-O 3.22Å; F40-S52 WeakPolarHBondContact CD1-O 3.27Å; F40-S52 PolarHBondContact N-O 2.89Å; F40-S52 PolarHBondContact O-N 2.8Å |
| 53 | K | 89.6 | Confident | 84.1 | Confident | 133 Ų | 133 | 97 Ų | 97 | 58% | 0.578 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 125.2 | 179 | -172.6 | 176.5 | 178 | -175.5 | 0 | 110.2 | N37 A38 M39 | N37-K53 WeakPolarHBondContact OD1-CE 3.42Å; N37-K53 PolarHBondContact OD1-NZ 2.86Å; A38-K53 CarbonylContact O-C 3.58Å; A38-K53 WeakPolarHBondContact O-CA 3.26Å; M39-K53 HydrophobicContact CE-CB 4.45Å; M39-K53 HydrophobicContact SD-CB 3.43Å; M39-K53 WeakPolarHBondContact SD-CB 3.47Å; M39-K53 HydrophobicContact SD-CD 4.17Å; M39-K53 HydrophobicContact SD-CG 3.59Å; M39-K53 VanDerWaalsContact SD-CG 3.59Å |
| 54 | V | 89.2 | Confident | 82.7 | Confident | 77 Ų | 77 | 97.2 Ų | 97.2 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 139.6 | 164.6 | -170.3 | 0 | 0 | 0 | 0 | 108.6 | N37 A38 F40 | N37-V54 CarbonylContact C-O 3.59Å; N37-V54 WeakPolarHBondContact CA-O 3.43Å; A38-V54 PolarHBondContact N-O 3.34Å; A38-V54 PolarHBondContact O-N 3.35Å; F40-V54 HydrophobicContact CD1-CG2 3.58Å; F40-V54 HydrophobicContact CE1-CG2 3.24Å; F40-V54 HydrophobicContact CZ-CG2 4.33Å |
| 55 | S | 89.8 | Confident | 81.3 | Confident | 86 Ų | 86 | 98.9 Ų | 98.9 | 60% | 0.601 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.9 | 170.4 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | L36 N37 | L36-S55 CarbonylContact O-C 3.58Å; L36-S55 VanDerWaalsContact O-CA 3.27Å; L36-S55 WeakPolarHBondContact O-CA 3.36Å; N37-S55 WeakPolarHBondContact OD1-CB 3.48Å |
| 56 | A | 87.9 | Confident | 79.8 | Confident | 59 Ų | 59 | 91.7 Ų | 91.7 | 49% | 0.488 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 145.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109 | L36 | L36-A56 HydrophobicContact CB-CB 4.37Å; L36-A56 PolarHBondContact N-O 2.96Å; L36-A56 PolarHBondContact O-N 3.43Å |
| 57 | E | 87.6 | Confident | 78.7 | Confident | 131 Ų | 131 | 87.1 Ų | 87.1 | 61% | 0.612 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132 | 127.2 | 179.5 | -172.8 | 171.9 | 166 | 0 | 0 | 110.2 | H34 R35 | H34-E57 IonicContact CD2-OE1 3.39Å; H34-E57 PolarHBondContact CD2-OE1 3.03Å; H34-E57 IonicContact NE2-OE1 3.8Å; H34-E57 CarbonylContact O-C 3.51Å; H34-E57 VanDerWaalsContact O-CA 3.27Å; H34-E57 WeakPolarHBondContact O-CA 3.49Å; R35-E57 HydrophobicContact CG-CG 4.21Å |
| 58 | L | 86.3 | Confident | 78.5 | Confident | 95 Ų | 95 | 91.5 Ų | 91.5 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | trans | -70.9 | 140.1 | 167.4 | -63.4 | 176.4 | 0 | 0 | 0 | 108.7 | W25 H34 | W25-L58 HydrophobicContact CH2-CB 4.14Å; W25-L58 VanDerWaalsContact CH2-O 3.25Å; W25-L58 WeakPolarHBondContact CH2-O 3.33Å; W25-L58 HydrophobicContact CZ3-CB 3.94Å; H34-L58 HydrophobicContact CB-CB 4.17Å; H34-L58 PolarHBondContact O-N 3.12Å | ||
| 59 | S | 84 | Confident | 78.1 | Confident | 71 Ų | 71 | 88 Ų | 88 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | trans | -122.3 | 148.6 | 174.4 | 62.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 60 | W | 85.3 | Confident | 78 | Confident | 70 Ų | 70 | 85.1 Ų | 85.1 | 27% | 0.265 | 48% | 0.477 | S | S | . | . | trans | -65.1 | 137.2 | 168.5 | -179 | -100.2 | 0 | 0 | 0 | 108.9 | L21 F22 W25 S62 | L21-W60 HydrophobicContact CB-CH2 3.78Å; L21-W60 HydrophobicContact CB-CZ3 4.34Å; F22-W60 HydrophobicContact CB-CH2 3.99Å; F22-W60 HydrophobicContact CB-CZ2 4.17Å; F22-W60 HydrophobicContact CD2-CD2 4.07Å; F22-W60 AromaticContact CD2-CE2 3.96Å; F22-W60 HydrophobicContact CD2-CE3 4.32Å; F22-W60 HydrophobicContact CD2-CH2 4.28Å; F22-W60 HydrophobicContact CD2-CZ2 4.06Å; F22-W60 HydrophobicContact CD2-CZ3 4.41Å; W25-W60 HydrophobicContact CB-CE3 3.41Å; W25-W60 VanDerWaalsContact CB-CE3 3.41Å; W25-W60 HydrophobicContact CB-CZ3 3.46Å; W25-W60 VanDerWaalsContact CB-CZ3 3.46Å; W25-W60 AromaticContact CD1-CE3 3.66Å; W25-W60 HydrophobicContact CD2-CB 4.31Å; W25-W60 AromaticContact CD2-CE3 3.96Å; W25-W60 HydrophobicContact CD2-CE3 3.96Å; W25-W60 HydrophobicContact CG-CB 4.46Å; W25-W60 HydrophobicContact CG-CD2 4.19Å; W25-W60 AromaticContact CG-CE3 3.34Å; W25-W60 HydrophobicContact CG-CE3 3.34Å; W25-W60 AromaticContact CG-CZ3 3.96Å; W25-W60 HydrophobicContact CG-CZ3 3.96Å; W25-W60 HydrophobicContact CZ2-CB 4.31Å; W60-S62 PolarHBondContact O-N 3.16Å; W60-S62 VanDerWaalsContact O-N 3.16Å | ||
| 61 | P | 79.4 | Confident | 77.6 | Confident | 104 Ų | 104 | 90.5 Ų | 90.5 | 68% | 0.675 | 50% | 0.499 | S | S | * | . | trans | -50.3 | 124.6 | 179.2 | -29.1 | 35.9 | 0 | 0 | 0 | 111.8 | ||||
| 62 | S | 73.3 | Confident | 77.4 | Confident | 56 Ų | 56 | 91.9 Ų | 91.9 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | trans | -148.9 | 152.5 | 180 | 74.3 | 0 | 0 | 0 | 0 | 109.9 | W60 L64 | W60-S62 PolarHBondContact O-N 3.16Å; W60-S62 VanDerWaalsContact O-N 3.16Å; S62-L64 PolarHBondContact O-N 3.05Å | ||
| 63 | V | 71.4 | Confident | 77.2 | Confident | 76 Ų | 76 | 93.7 Ų | 93.7 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | trans | -75.2 | 107.9 | 173.1 | -170.6 | 0 | 0 | 0 | 0 | 107.7 | S65 S66 I85 L87 | V63-S65 VanDerWaalsContact C-N 3.3Å; V63-S65 PolarHBondContact O-N 3.3Å; V63-S66 VanDerWaalsContact CG1-OG 3.22Å; V63-S66 WeakPolarHBondContact CG1-OG 3.32Å; V63-I85 HydrophobicContact CG1-CG2 4.46Å; V63-L87 HydrophobicContact CG2-CD1 4.31Å | ||
| 64 | L | 56.2 | Low | 77 | Confident | 91 Ų | 91 | 96.1 Ų | 96.1 | 48% | 0.476 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -75.5 | -14.5 | -164.7 | -74.1 | 166.5 | 0 | 0 | 0 | 114.3 | S62 | S62-L64 PolarHBondContact O-N 3.05Š|
| 65 | S | 54.5 | Low | 76.9 | Confident | 95 Ų | 95 | 95.7 Ų | 95.7 | 66% | 0.664 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -147.7 | 2.3 | -165.3 | -44.2 | 0 | 0 | 0 | 0 | 115.6 | V63 | V63-S65 VanDerWaalsContact C-N 3.3Å; V63-S65 PolarHBondContact O-N 3.3Å |
| 66 | S | 57.3 | Low | 76.9 | Confident | 29 Ų | 29 | 98 Ų | 98 | 20% | 0.203 | 53% | 0.53 | C | S | . | . | S | Bend | trans | -105.1 | 148.2 | 178.8 | 90.6 | 0 | 0 | 0 | 0 | 111.3 | V63 R68 | V63-S66 VanDerWaalsContact CG1-OG 3.22Å; V63-S66 WeakPolarHBondContact CG1-OG 3.32Å; S66-R68 PolarHBondContact O-N 3.08Å |
| 67 | P | 63.2 | Low | 76.9 | Confident | 84 Ų | 84 | 101.3 Ų | 101.3 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | trans | -58.9 | 132 | 168 | 26.2 | -32.4 | 0 | 0 | 0 | 108.6 | L69 L70 | P67-L69 WeakPolarHBondContact CB-O 3.34Å; P67-L69 PolarHBondContact O-N 3.42Å; P67-L70 HydrophobicContact CG-CD2 3.88Å | ||
| 68 | R | 68.1 | Low | 76.8 | Confident | 212 Ų | 212 | 103.1 Ų | 103.1 | 80% | 0.8 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -62.2 | -11.9 | 175.9 | -64.9 | -176.8 | -175.8 | -133.8 | -1.8 | 112.8 | S66 | S66-R68 PolarHBondContact O-N 3.08Š|
| 69 | L | 75.3 | Confident | 76.7 | Confident | 84 Ų | 84 | 102 Ų | 102 | 44% | 0.44 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -130.6 | 116.7 | 176.3 | 177 | 64.6 | 0 | 0 | 0 | 108.1 | P67 V124 | P67-L69 WeakPolarHBondContact CB-O 3.34Å; P67-L69 PolarHBondContact O-N 3.42Å; L69-V124 HydrophobicContact CD1-CG1 3.66Å; L69-V124 HydrophobicContact CD2-CG1 3.65Å; L69-V124 HydrophobicContact CG-CG1 4.18Å |
| 70 | L | 78.6 | Confident | 76.7 | Confident | 51 Ų | 51 | 103.1 Ų | 103.1 | 27% | 0.267 | 57% | 0.565 | S | S | . | * | trans | -90.9 | 138.8 | 170.9 | -64.6 | 165.5 | 0 | 0 | 0 | 109 | P67 F72 I85 | P67-L70 HydrophobicContact CG-CD2 3.88Å; L70-F72 HydrophobicContact CB-CE2 4.21Å; L70-I85 HydrophobicContact CD1-CD1 3.42Å; L70-I85 VanDerWaalsContact CD1-CD1 3.42Å; L70-I85 HydrophobicContact CD1-CG1 3.83Å | ||
| 71 | K | 77.8 | Confident | 76.7 | Confident | 167 Ų | 167 | 101.5 Ų | 101.5 | 73% | 0.726 | 57% | 0.565 | S | S | * | * | trans | -118.1 | 107.5 | 175.4 | -71.6 | -175.2 | -179.6 | 179.9 | 0 | 108.1 | ||||
| 72 | F | 82.6 | Confident | 77 | Confident | 119 Ų | 119 | 104 Ų | 104 | 52% | 0.522 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -76.5 | 126.9 | 172.6 | -65 | -85.9 | 0 | 0 | 0 | 109.2 | L70 E83 | L70-F72 HydrophobicContact CB-CE2 4.21Å; F72-E83 HydrophobicContact CD1-CG 3.85Å; F72-E83 HydrophobicContact CE1-CB 3.85Å; F72-E83 HydrophobicContact CE1-CG 3.58Å; F72-E83 HydrophobicContact CZ-CB 4.25Å; F72-E83 HydrophobicContact CZ-CG 4.2Å |
| 73 | P | 83.7 | Confident | 77.4 | Confident | 78 Ų | 78 | 105.9 Ų | 105.9 | 51% | 0.506 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 153.8 | 171.9 | 24.9 | -35.5 | 0 | 0 | 0 | 111.4 | T75 S81 | P73-T75 PolarHBondContact O-N 3.29Å; P73-S81 VanDerWaalsContact CD-OG 3.26Å; P73-S81 WeakPolarHBondContact CD-OG 3.29Å; P73-S81 WeakPolarHBondContact CG-OG 3.48Å |
| 74 | L | 85.6 | Confident | 77.8 | Confident | 183 Ų | 183 | 110.4 Ų | 110.4 | 96% | 0.958 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 130.1 | 171.4 | -67.8 | 172.7 | 0 | 0 | 0 | 109.5 | ||
| 75 | T | 86.5 | Confident | 78.7 | Confident | 69 Ų | 69 | 109.3 Ų | 109.3 | 42% | 0.423 | 58% | 0.58 | S | S | . | * | trans | -108.7 | 155.7 | 175.7 | 62.2 | 0 | 0 | 0 | 0 | 110.5 | P73 C79 | P73-T75 PolarHBondContact O-N 3.29Å; T75-C79 WeakPolarHBondContact CB-O 3.48Å; T75-C79 PolarHBondContact OG1-O 3.3Å | ||
| 76 | N | 91 | Very high | 79.8 | Confident | 134 Ų | 134 | 108.5 Ų | 108.5 | 72% | 0.717 | 58% | 0.575 | S | S | * | * | trans | -66.5 | 160.8 | 167.9 | -70.6 | -34 | 0 | 0 | 0 | 110.2 | N78 C79 | N76-N78 PolarHBondContact O-N 3.49Å; N76-C79 WeakPolarHBondContact O-CB 3.29Å; N76-C79 PolarHBondContact O-N 3.35Å | ||
| 77 | T | 88 | Confident | 80.7 | Confident | 129 Ų | 129 | 111.3 Ų | 111.3 | 79% | 0.791 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | 132.2 | 174.5 | -45 | 0 | 0 | 0 | 0 | 110.6 | C79 | T77-C79 VanDerWaalsContact C-N 3.28Å; T77-C79 PolarHBondContact O-N 3.2Å |
| 78 | N | 83.9 | Confident | 81.4 | Confident | 169 Ų | 169 | 113.5 Ų | 113.5 | 90% | 0.904 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.3 | 17.1 | -175.6 | -51.8 | -36.3 | 0 | 0 | 0 | 115.8 | N76 | N76-N78 PolarHBondContact O-N 3.49Š|
| 79 | C | 85.5 | Confident | 82 | Confident | 72 Ų | 72 | 106.2 Ų | 106.2 | 49% | 0.486 | 57% | 0.567 | S | S | . | * | trans | -107.4 | 144.5 | 169 | -63.7 | 0 | 0 | 0 | 0 | 110.9 | T75 N76 T77 | T75-C79 WeakPolarHBondContact CB-O 3.48Å; T75-C79 PolarHBondContact OG1-O 3.3Å; N76-C79 WeakPolarHBondContact O-CB 3.29Å; N76-C79 PolarHBondContact O-N 3.35Å; T77-C79 VanDerWaalsContact C-N 3.28Å; T77-C79 PolarHBondContact O-N 3.2Å | ||
| 80 | S | 83.9 | Confident | 82.1 | Confident | 93 Ų | 93 | 106.8 Ų | 106.8 | 65% | 0.65 | 58% | 0.575 | S | S | * | * | trans | -100.5 | 160.2 | 171.5 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 81 | S | 85.3 | Confident | 82.2 | Confident | 36 Ų | 36 | 106.5 Ų | 106.5 | 25% | 0.252 | 58% | 0.581 | S | S | . | * | trans | -120.8 | 141.9 | 164.9 | 167.4 | 0 | 0 | 0 | 0 | 107.7 | P73 | P73-S81 VanDerWaalsContact CD-OG 3.26Å; P73-S81 WeakPolarHBondContact CD-OG 3.29Å; P73-S81 WeakPolarHBondContact CG-OG 3.48Å | ||
| 82 | E | 84.7 | Confident | 82.4 | Confident | 157 Ų | 157 | 106.3 Ų | 106.3 | 73% | 0.734 | 59% | 0.588 | S | S | * | * | trans | -122.8 | 138.8 | -177.9 | -65.8 | 177.2 | -168.5 | 0 | 0 | 109.2 | ||||
| 83 | E | 82.1 | Confident | 82.5 | Confident | 95 Ų | 95 | 104.7 Ų | 104.7 | 44% | 0.444 | 59% | 0.587 | S | S | . | * | trans | -129.9 | 134.4 | 177.5 | -73.4 | -67.6 | 155.9 | 0 | 0 | 108.7 | F72 | F72-E83 HydrophobicContact CD1-CG 3.85Å; F72-E83 HydrophobicContact CE1-CB 3.85Å; F72-E83 HydrophobicContact CE1-CG 3.58Å; F72-E83 HydrophobicContact CZ-CB 4.25Å; F72-E83 HydrophobicContact CZ-CG 4.2Å | ||
| 84 | E | 79.6 | Confident | 82.5 | Confident | 171 Ų | 171 | 106.6 Ų | 106.6 | 80% | 0.799 | 60% | 0.6 | S | S | * | * | trans | -93.4 | 131 | 179 | -172.7 | 174.4 | -175.8 | 0 | 0 | 110.6 | ||||
| 85 | I | 76.4 | Confident | 82.4 | Confident | 69 Ų | 69 | 101.5 Ų | 101.5 | 35% | 0.354 | 58% | 0.576 | S | S | . | * | trans | -120.7 | 120.6 | 176.3 | -51.9 | 169.8 | 0 | 0 | 0 | 108.4 | V63 L70 F99 | V63-I85 HydrophobicContact CG1-CG2 4.46Å; L70-I85 HydrophobicContact CD1-CD1 3.42Å; L70-I85 VanDerWaalsContact CD1-CD1 3.42Å; L70-I85 HydrophobicContact CD1-CG1 3.83Å; I85-F99 HydrophobicContact CD1-CE1 4.45Å | ||
| 86 | S | 76.4 | Confident | 82.3 | Confident | 78 Ų | 78 | 109.4 Ų | 109.4 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | trans | -95.7 | 124.8 | 173.3 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 87 | L | 77 | Confident | 81.8 | Confident | 88 Ų | 88 | 106.3 Ų | 106.3 | 46% | 0.461 | 59% | 0.586 | S | S | . | * | trans | -114.8 | 121.5 | 172.3 | -179.2 | 67.5 | 0 | 0 | 0 | 109.1 | V63 V97 | V63-L87 HydrophobicContact CG2-CD1 4.31Å; L87-V97 HydrophobicContact CD2-CB 4.18Å; L87-V97 HydrophobicContact CD2-CG1 3.73Å; L87-V97 HydrophobicContact CD2-CG2 3.44Å; L87-V97 VanDerWaalsContact CD2-CG2 3.44Å | ||
| 88 | E | 77.7 | Confident | 81.6 | Confident | 130 Ų | 130 | 107 Ų | 107 | 61% | 0.607 | 58% | 0.58 | S | S | * | * | trans | -100.4 | 130.5 | 175.3 | -171.6 | 176.3 | 167.7 | 0 | 0 | 109.6 | P90 | E88-P90 WeakPolarHBondContact O-CD 3.42Š| ||
| 89 | N | 81.1 | Confident | 81.5 | Confident | 59 Ų | 59 | 104.6 Ų | 104.6 | 32% | 0.316 | 56% | 0.561 | S | S | . | * | trans | -95.4 | 107.2 | 170.7 | 177.3 | 26.4 | 0 | 0 | 0 | 108.9 | A91 V93 V95 | N89-A91 PolarHBondContact O-N 3.46Å; N89-A91 WeakPolarHBondContact OD1-CB 3.28Å; N89-A91 PolarHBondContact OD1-N 3.22Å; N89-A91 VanDerWaalsContact OD1-N 3.15Å; N89-V93 PolarHBondContact ND2-O 3.42Å; N89-V95 HydrophobicContact CB-CG2 3.72Å; N89-V95 WeakPolarHBondContact OD1-CG1 3.28Å | ||
| 90 | P | 77.2 | Confident | 81.4 | Confident | 95 Ų | 95 | 103.3 Ų | 103.3 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | trans | -75.6 | -6.3 | 179.2 | 32.2 | -36.3 | 0 | 0 | 0 | 113.1 | E88 | E88-P90 WeakPolarHBondContact O-CD 3.42Š| ||
| 91 | A | 79.4 | Confident | 81.5 | Confident | 46 Ų | 46 | 99.9 Ų | 99.9 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -82.8 | 156.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N89 V93 | N89-A91 PolarHBondContact O-N 3.46Å; N89-A91 WeakPolarHBondContact OD1-CB 3.28Å; N89-A91 PolarHBondContact OD1-N 3.22Å; N89-A91 VanDerWaalsContact OD1-N 3.15Å; A91-V93 HydrophobicContact CB-CG2 4.09Å; A91-V93 PolarHBondContact O-N 3.4Å |
| 92 | D | 82.7 | Confident | 81.4 | Confident | 163 Ų | 163 | 100.1 Ų | 100.1 | 87% | 0.872 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -80.7 | -3.5 | 173.1 | 61.5 | -19.6 | 0 | 0 | 0 | 113.4 | ||
| 93 | V | 85 | Confident | 81.5 | Confident | 85 Ų | 85 | 94 Ų | 94 | 52% | 0.515 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -112.5 | 148.7 | 178.2 | -63.5 | 0 | 0 | 0 | 0 | 111.9 | N89 A91 | N89-V93 PolarHBondContact ND2-O 3.42Å; A91-V93 HydrophobicContact CB-CG2 4.09Å; A91-V93 PolarHBondContact O-N 3.4Å |
| 94 | P | 84.6 | Confident | 81.7 | Confident | 118 Ų | 118 | 91.9 Ų | 91.9 | 77% | 0.766 | 49% | 0.491 | S | S | * | . | trans | -60.4 | 141 | 175.4 | -22.2 | 33 | 0 | 0 | 0 | 112.7 | ||||
| 95 | V | 82.7 | Confident | 82.1 | Confident | 76 Ų | 76 | 84.6 Ų | 84.6 | 46% | 0.461 | 46% | 0.456 | S | S | . | . | trans | -116.4 | 139.8 | 173.4 | -63.7 | 0 | 0 | 0 | 0 | 110.6 | N89 V97 | N89-V95 HydrophobicContact CB-CG2 3.72Å; N89-V95 WeakPolarHBondContact OD1-CG1 3.28Å; V95-V97 HydrophobicContact CG2-CG2 4.26Å | ||
| 96 | Y | 83.8 | Confident | 82.7 | Confident | 234 Ų | 234 | 83.7 Ų | 83.7 | 92% | 0.918 | 46% | 0.455 | S | S | * | . | trans | -93.4 | 131.9 | 172.9 | -69.5 | -86.1 | 0 | 0 | 0 | 109.7 | ||||
| 97 | V | 81.8 | Confident | 83.1 | Confident | 70 Ų | 70 | 83 Ų | 83 | 42% | 0.424 | 45% | 0.446 | S | S | . | . | trans | -125.3 | 130.7 | -176.6 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | L87 V95 F99 | L87-V97 HydrophobicContact CD2-CB 4.18Å; L87-V97 HydrophobicContact CD2-CG1 3.73Å; L87-V97 HydrophobicContact CD2-CG2 3.44Å; L87-V97 VanDerWaalsContact CD2-CG2 3.44Å; V95-V97 HydrophobicContact CG2-CG2 4.26Å; V97-F99 HydrophobicContact CG1-CE2 4.28Å | ||
| 98 | Q | 83.6 | Confident | 83.6 | Confident | 143 Ų | 143 | 80 Ų | 80 | 67% | 0.668 | 43% | 0.432 | S | S | * | . | trans | -127.2 | 135.8 | -179.6 | -166.7 | 177.9 | 9.4 | 0 | 0 | 110.2 | I100 | Q98-I100 HydrophobicContact CG-CD1 4.1Å; Q98-I100 HydrophobicContact CG-CG1 3.7Å | ||
| 99 | F | 81.4 | Confident | 84 | Confident | 119 Ų | 119 | 76.7 Ų | 76.7 | 52% | 0.522 | 42% | 0.423 | S | S | . | . | trans | -103.4 | 125.6 | 168.4 | -69 | -90.3 | 0 | 0 | 0 | 108.1 | I85 V97 V136 | I85-F99 HydrophobicContact CD1-CE1 4.45Å; V97-F99 HydrophobicContact CG1-CE2 4.28Å; F99-V136 HydrophobicContact CB-CG1 4.44Å; F99-V136 HydrophobicContact CB-CG2 3.92Å; F99-V136 HydrophobicContact CD2-CG1 3.98Å; F99-V136 HydrophobicContact CG-CG1 4.3Å; F99-V136 HydrophobicContact CG-CG2 4.35Å | ||
| 100 | I | 83.4 | Confident | 84.4 | Confident | 45 Ų | 45 | 76.4 Ų | 76.4 | 23% | 0.231 | 42% | 0.423 | C | S | . | . | trans | -128.8 | 117.9 | -178.3 | -53.5 | 179.2 | 0 | 0 | 0 | 108.3 | M6 Q98 L102 L104 Y105 | M6-I100 HydrophobicContact CE-CD1 4.24Å; M6-I100 HydrophobicContact CE-CG2 4.26Å; M6-I100 HydrophobicContact SD-CG2 3.8Å; Q98-I100 HydrophobicContact CG-CD1 4.1Å; Q98-I100 HydrophobicContact CG-CG1 3.7Å; I100-L102 PolarHBondContact O-N 3.01Å; I100-L104 HydrophobicContact CG2-CD1 4.45Å; I100-Y105 HydrophobicContact CG2-CE2 3.8Å | ||
| 101 | P | 84.9 | Confident | 84.9 | Confident | 21 Ų | 21 | 72.8 Ų | 72.8 | 14% | 0.136 | 40% | 0.398 | C | S | . | . | trans | -57.9 | 127.1 | 166.7 | -12.8 | 19.3 | 0 | 0 | 0 | 111.4 | A103 L104 L132 F134 | P101-A103 PolarHBondContact O-N 3.23Å; P101-A103 VanDerWaalsContact O-N 3.15Å; P101-L104 HydrophobicContact CB-CD1 4.39Å; P101-L104 HydrophobicContact CB-CG 4.08Å; P101-L104 HydrophobicContact CG-CD1 3.9Å; P101-L104 HydrophobicContact CG-CG 4.09Å; P101-L104 WeakPolarHBondContact O-CB 3.36Å; P101-L104 PolarHBondContact O-N 3Å; P101-L132 HydrophobicContact CB-CD2 4.44Å; P101-F134 HydrophobicContact CB-CE1 3.63Å; P101-F134 HydrophobicContact CB-CE2 4.2Å; P101-F134 HydrophobicContact CB-CZ 3.38Å; P101-F134 HydrophobicContact CG-CE1 3.97Å; P101-F134 HydrophobicContact CG-CE2 3.66Å; P101-F134 HydrophobicContact CG-CZ 3.37Å | ||
| 102 | L | 84.9 | Confident | 85.3 | Confident | 40 Ų | 40 | 70.8 Ų | 70.8 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -56.9 | -33.8 | 179.7 | -170.9 | 56.5 | 0 | 0 | 0 | 111.6 | I100 L104 Y105 P108 F111 A112 L115 L129 | I100-L102 PolarHBondContact O-N 3.01Å; L102-L104 PolarHBondContact O-N 3.41Å; L102-L104 VanDerWaalsContact O-N 3.11Å; L102-Y105 HydrophobicContact CD1-CD2 3.95Å; L102-Y105 HydrophobicContact CD1-CE2 4.36Å; L102-Y105 WeakPolarHBondContact O-CD2 3.39Å; L102-Y105 PolarHBondContact O-N 3.4Å; L102-Y105 VanDerWaalsContact O-N 3.16Å; L102-P108 HydrophobicContact CG-CB 4.18Å; L102-P108 WeakPolarHBondContact O-CB 3.49Å; L102-F111 HydrophobicContact CD1-CB 4.19Å; L102-F111 HydrophobicContact CD1-CD1 3.38Å; L102-F111 HydrophobicContact CD1-CE1 4.14Å; L102-F111 HydrophobicContact CD1-CG 4.15Å; L102-A112 HydrophobicContact CD2-CB 3.82Å; L102-L115 HydrophobicContact CD1-CD1 4.29Å; L102-L129 HydrophobicContact CD2-CD2 3.53Å; L102-L129 HydrophobicContact CG-CD2 4.19Å |
| 103 | A | 86.1 | Confident | 85.5 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 23% | 0.231 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -60.3 | -15.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P101 L129 T131 L132 | P101-A103 PolarHBondContact O-N 3.23Å; P101-A103 VanDerWaalsContact O-N 3.15Å; A103-L129 WeakPolarHBondContact CA-O 3.42Å; A103-L129 WeakPolarHBondContact CB-O 3.43Å; A103-T131 WeakPolarHBondContact CB-O 3.26Å; A103-L132 HydrophobicContact CB-CD2 3.78Å; A103-L132 HydrophobicContact CB-CG 4.4Å |
| 104 | L | 86.4 | Confident | 85.7 | Confident | 52 Ų | 52 | 66.7 Ų | 66.7 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -80.7 | -21.1 | 177 | -64.5 | -176.9 | 0 | 0 | 0 | 113.3 | M6 I100 P101 L102 L132 | M6-L104 WeakPolarHBondContact CB-O 3.37Å; M6-L104 HydrophobicContact CG-CB 4.01Å; M6-L104 PolarHBondContact N-O 2.81Å; M6-L104 HydrophobicContact SD-CB 3.84Å; I100-L104 HydrophobicContact CG2-CD1 4.45Å; P101-L104 HydrophobicContact CB-CD1 4.39Å; P101-L104 HydrophobicContact CB-CG 4.08Å; P101-L104 HydrophobicContact CG-CD1 3.9Å; P101-L104 HydrophobicContact CG-CG 4.09Å; P101-L104 WeakPolarHBondContact O-CB 3.36Å; P101-L104 PolarHBondContact O-N 3Å; L102-L104 PolarHBondContact O-N 3.41Å; L102-L104 VanDerWaalsContact O-N 3.11Å; L104-L132 HydrophobicContact CD2-CD2 3.8Å; L104-L132 HydrophobicContact CG-CD2 4.37Å |
| 105 | Y | 88.6 | Confident | 85.8 | Confident | 18 Ų | 18 | 63.1 Ų | 63.1 | 7% | 0.071 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -70.5 | 148.4 | 175.9 | -68.8 | -77.9 | 0 | 0 | 0 | 110.7 | M6 W11 D14 I100 L102 N107 P108 F111 | M6-Y105 HydrophobicContact SD-CD1 4.31Å; M6-Y105 HydrophobicContact SD-CE1 4.28Å; W11-Y105 HydrophobicContact CB-CD1 3.4Å; W11-Y105 VanDerWaalsContact CB-CD1 3.4Å; W11-Y105 HydrophobicContact CB-CE1 3.95Å; W11-Y105 HydrophobicContact CB-CG 3.94Å; D14-Y105 PolarHBondContact OD2-OH 3.49Å; I100-Y105 HydrophobicContact CG2-CE2 3.8Å; L102-Y105 HydrophobicContact CD1-CD2 3.95Å; L102-Y105 HydrophobicContact CD1-CE2 4.36Å; L102-Y105 WeakPolarHBondContact O-CD2 3.39Å; L102-Y105 PolarHBondContact O-N 3.4Å; L102-Y105 VanDerWaalsContact O-N 3.16Å; Y105-N107 PolarHBondContact O-N 3.24Å; Y105-P108 WeakPolarHBondContact O-CD 3.44Å; Y105-F111 AromaticContact CD2-CD1 3.79Å; Y105-F111 HydrophobicContact CD2-CD1 3.79Å; Y105-F111 HydrophobicContact CD2-CE1 4.08Å; Y105-F111 HydrophobicContact CE1-CE1 4.32Å; Y105-F111 AromaticContact CE2-CD1 3.75Å; Y105-F111 HydrophobicContact CE2-CD1 3.75Å; Y105-F111 AromaticContact CE2-CE1 3.54Å; Y105-F111 HydrophobicContact CE2-CE1 3.54Å; Y105-F111 HydrophobicContact CG-CD1 4.22Å; Y105-F111 AromaticContact CZ-CE1 3.65Å |
| 106 | S | 87.5 | Confident | 85.9 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -59.1 | -30.6 | 177.5 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | E8 | E8-S106 PolarHBondContact O-OG 3.37Š|
| 107 | N | 85.6 | Confident | 86 | Confident | 63 Ų | 63 | 54.1 Ų | 54.1 | 34% | 0.337 | 30% | 0.302 | S | S | . | . | trans | -135.2 | 76.4 | 178 | -163.7 | -18.1 | 0 | 0 | 0 | 111.9 | Y105 S109 V110 F111 | Y105-N107 PolarHBondContact O-N 3.24Å; N107-S109 VanDerWaalsContact C-N 3.27Å; N107-S109 PolarHBondContact O-N 3.43Å; N107-V110 VanDerWaalsContact ND2-CG2 3.29Å; N107-V110 WeakPolarHBondContact ND2-CG2 3.23Å; N107-V110 PolarHBondContact O-N 2.94Å; N107-V110 WeakPolarHBondContact OD1-CG2 3.22Å; N107-V110 PolarHBondContact OD1-N 3.47Å; N107-F111 PolarHBondContact O-N 3.18Å | ||
| 108 | P | 87 | Confident | 86.1 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 18% | 0.175 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.7 | -29.9 | -172.4 | 27.2 | -34.6 | 0 | 0 | 0 | 112.5 | L102 Y105 A112 L129 | L102-P108 HydrophobicContact CG-CB 4.18Å; L102-P108 WeakPolarHBondContact O-CB 3.49Å; Y105-P108 WeakPolarHBondContact O-CD 3.44Å; P108-A112 VanDerWaalsContact O-CB 3.23Å; P108-A112 WeakPolarHBondContact O-CB 3.35Å; P108-A112 PolarHBondContact O-N 3.02Å; P108-L129 HydrophobicContact CB-CB 4.24Å; P108-L129 HydrophobicContact CG-CB 4.35Å |
| 109 | S | 87.3 | Confident | 86 | Confident | 60 Ų | 60 | 51 Ų | 51 | 42% | 0.42 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.7 | -48.5 | -179 | -53.9 | 0 | 0 | 0 | 0 | 112.2 | N107 F111 A112 D113 L129 | N107-S109 VanDerWaalsContact C-N 3.27Å; N107-S109 PolarHBondContact O-N 3.43Å; S109-F111 VanDerWaalsContact C-N 3.29Å; S109-F111 PolarHBondContact O-N 3.01Å; S109-A112 WeakPolarHBondContact O-CB 3.47Å; S109-A112 PolarHBondContact O-N 3.01Å; S109-D113 PolarHBondContact O-N 3.09Å; S109-L129 WeakPolarHBondContact OG-CD1 3.27Å |
| 110 | V | 88.1 | Confident | 85.8 | Confident | 53 Ų | 53 | 51.7 Ų | 51.7 | 32% | 0.321 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 178.9 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | W11 N107 D113 K114 | W11-V110 HydrophobicContact CE3-CG1 4.46Å; W11-V110 HydrophobicContact CH2-CG1 3.6Å; W11-V110 HydrophobicContact CZ2-CG1 4.37Å; W11-V110 HydrophobicContact CZ3-CG1 3.61Å; N107-V110 VanDerWaalsContact ND2-CG2 3.29Å; N107-V110 WeakPolarHBondContact ND2-CG2 3.23Å; N107-V110 PolarHBondContact O-N 2.94Å; N107-V110 WeakPolarHBondContact OD1-CG2 3.22Å; N107-V110 PolarHBondContact OD1-N 3.47Å; V110-D113 PolarHBondContact O-N 3.42Å; V110-K114 PolarHBondContact O-N 2.82Å |
| 111 | F | 88.4 | Confident | 85.4 | Confident | 18 Ų | 18 | 52.2 Ų | 52.2 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69 | -38.9 | 177.8 | -167.5 | -142.7 | 0 | 0 | 0 | 111.9 | W11 W15 L102 Y105 N107 S109 D113 K114 L115 | W11-F111 HydrophobicContact CB-CB 4.37Å; W11-F111 HydrophobicContact CB-CD1 4.38Å; W11-F111 HydrophobicContact CB-CG 4.26Å; W11-F111 HydrophobicContact CE3-CB 4.23Å; W11-F111 HydrophobicContact CE3-CD2 4.34Å; W15-F111 HydrophobicContact CB-CE2 4.3Å; W15-F111 HydrophobicContact CE3-CE2 4.01Å; L102-F111 HydrophobicContact CD1-CB 4.19Å; L102-F111 HydrophobicContact CD1-CD1 3.38Å; L102-F111 HydrophobicContact CD1-CE1 4.14Å; L102-F111 HydrophobicContact CD1-CG 4.15Å; Y105-F111 AromaticContact CD2-CD1 3.79Å; Y105-F111 HydrophobicContact CD2-CD1 3.79Å; Y105-F111 HydrophobicContact CD2-CE1 4.08Å; Y105-F111 HydrophobicContact CE1-CE1 4.32Å; Y105-F111 AromaticContact CE2-CD1 3.75Å; Y105-F111 HydrophobicContact CE2-CD1 3.75Å; Y105-F111 AromaticContact CE2-CE1 3.54Å; Y105-F111 HydrophobicContact CE2-CE1 3.54Å; Y105-F111 HydrophobicContact CG-CD1 4.22Å; Y105-F111 AromaticContact CZ-CE1 3.65Å; N107-F111 PolarHBondContact O-N 3.18Å; S109-F111 VanDerWaalsContact C-N 3.29Å; S109-F111 PolarHBondContact O-N 3.01Å; F111-D113 VanDerWaalsContact C-N 3.33Å; F111-D113 PolarHBondContact O-N 3.1Å; F111-K114 PolarHBondContact O-N 2.84Å; F111-L115 HydrophobicContact CD1-CD1 4.18Å; F111-L115 HydrophobicContact CD2-CG 4.36Å; F111-L115 HydrophobicContact CE1-CD1 4.08Å; F111-L115 HydrophobicContact CE2-CD2 4.16Å; F111-L115 HydrophobicContact CE2-CG 4.24Å; F111-L115 HydrophobicContact CG-CD1 4.41Å; F111-L115 HydrophobicContact CZ-CD1 4.25Å; F111-L115 HydrophobicContact CZ-CD2 4.16Å; F111-L115 HydrophobicContact CZ-CG 4.38Å; F111-L115 VanDerWaalsContact O-CG 3.28Å; F111-L115 WeakPolarHBondContact O-CG 3.46Å; F111-L115 PolarHBondContact O-N 3.42Å |
| 112 | A | 87.8 | Confident | 84.6 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.2 | -47 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L102 P108 S109 K114 L115 V116 L127 L129 | L102-A112 HydrophobicContact CD2-CB 3.82Å; P108-A112 VanDerWaalsContact O-CB 3.23Å; P108-A112 WeakPolarHBondContact O-CB 3.35Å; P108-A112 PolarHBondContact O-N 3.02Å; S109-A112 WeakPolarHBondContact O-CB 3.47Å; S109-A112 PolarHBondContact O-N 3.01Å; A112-K114 PolarHBondContact O-N 3.02Å; A112-L115 PolarHBondContact O-N 2.79Å; A112-V116 WeakPolarHBondContact O-CB 3.39Å; A112-V116 VanDerWaalsContact O-CG2 3.27Å; A112-V116 WeakPolarHBondContact O-CG2 3.5Å; A112-V116 PolarHBondContact O-N 3.15Å; A112-L127 HydrophobicContact CB-CD1 4.15Å; A112-L129 HydrophobicContact CB-CD1 4.45Å; A112-L129 HydrophobicContact CB-CD2 3.86Å |
| 113 | D | 87.3 | Confident | 83.4 | Confident | 113 Ų | 113 | 63.3 Ų | 63.3 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.9 | -43.4 | -179.3 | -71.2 | -23.7 | 0 | 0 | 0 | 111.9 | S109 V110 F111 L115 V116 S117 | S109-D113 PolarHBondContact O-N 3.09Å; V110-D113 PolarHBondContact O-N 3.42Å; F111-D113 VanDerWaalsContact C-N 3.33Å; F111-D113 PolarHBondContact O-N 3.1Å; D113-L115 PolarHBondContact O-N 3.27Å; D113-V116 PolarHBondContact O-N 3.35Å; D113-S117 WeakPolarHBondContact O-CB 3.5Å; D113-S117 PolarHBondContact O-N 3.19Å |
| 114 | K | 88.4 | Confident | 82 | Confident | 50 Ų | 50 | 65.4 Ų | 65.4 | 22% | 0.217 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.8 | -46.3 | 173.6 | -77.6 | 179.8 | 167.9 | -167.5 | 0 | 111.2 | W11 D12 W15 V110 F111 A112 R118 | W11-K114 HydrophobicContact CZ3-CD 3.92Å; W11-K114 VanDerWaalsContact CZ3-NZ 3.27Å; D12-K114 IonicContact OD1-NZ 3.45Å; D12-K114 PolarHBondContact OD1-NZ 3.09Å; W15-K114 HydrophobicContact CD2-CB 4.25Å; W15-K114 HydrophobicContact CD2-CD 3.65Å; W15-K114 HydrophobicContact CD2-CG 4.37Å; W15-K114 HydrophobicContact CE3-CB 4.05Å; W15-K114 HydrophobicContact CE3-CD 4.24Å; W15-K114 HydrophobicContact CG-CD 3.79Å; W15-K114 HydrophobicContact CH2-CB 3.71Å; W15-K114 HydrophobicContact CH2-CG 4.36Å; W15-K114 HydrophobicContact CZ2-CB 3.95Å; W15-K114 HydrophobicContact CZ2-CD 4.15Å; W15-K114 HydrophobicContact CZ2-CG 4.07Å; W15-K114 HydrophobicContact CZ3-CB 3.79Å; V110-K114 PolarHBondContact O-N 2.82Å; F111-K114 PolarHBondContact O-N 2.84Å; A112-K114 PolarHBondContact O-N 3.02Å; K114-R118 VanDerWaalsContact O-CB 3.29Å; K114-R118 WeakPolarHBondContact O-CB 3.27Å; K114-R118 PolarHBondContact O-N 2.84Å |
| 115 | L | 86.7 | Confident | 80.8 | Confident | 43 Ų | 43 | 65.3 Ų | 65.3 | 23% | 0.225 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.7 | -44.3 | 178.7 | -64.9 | 171.9 | 0 | 0 | 0 | 112.2 | L102 F111 A112 D113 S117 R118 F119 | L102-L115 HydrophobicContact CD1-CD1 4.29Å; F111-L115 HydrophobicContact CD1-CD1 4.18Å; F111-L115 HydrophobicContact CD2-CG 4.36Å; F111-L115 HydrophobicContact CE1-CD1 4.08Å; F111-L115 HydrophobicContact CE2-CD2 4.16Å; F111-L115 HydrophobicContact CE2-CG 4.24Å; F111-L115 HydrophobicContact CG-CD1 4.41Å; F111-L115 HydrophobicContact CZ-CD1 4.25Å; F111-L115 HydrophobicContact CZ-CD2 4.16Å; F111-L115 HydrophobicContact CZ-CG 4.38Å; F111-L115 VanDerWaalsContact O-CG 3.28Å; F111-L115 WeakPolarHBondContact O-CG 3.46Å; F111-L115 PolarHBondContact O-N 3.42Å; A112-L115 PolarHBondContact O-N 2.79Å; D113-L115 PolarHBondContact O-N 3.27Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 3.16Å; L115-R118 PolarHBondContact O-N 3.11Å; L115-F119 HydrophobicContact CB-CD2 4.34Å; L115-F119 HydrophobicContact CD2-CD2 4.24Å; L115-F119 HydrophobicContact CD2-CE2 3.72Å; L115-F119 WeakPolarHBondContact O-CB 3.21Å; L115-F119 VanDerWaalsContact O-CD2 3.28Å; L115-F119 WeakPolarHBondContact O-CD2 3.49Å; L115-F119 PolarHBondContact O-N 2.95Å |
| 116 | V | 85.6 | Confident | 79.9 | Confident | 27 Ų | 27 | 74.3 Ų | 74.3 | 16% | 0.164 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 179.1 | 168.3 | 0 | 0 | 0 | 0 | 110.9 | A112 D113 N120 L121 A125 L127 | A112-V116 WeakPolarHBondContact O-CB 3.39Å; A112-V116 VanDerWaalsContact O-CG2 3.27Å; A112-V116 WeakPolarHBondContact O-CG2 3.5Å; A112-V116 PolarHBondContact O-N 3.15Å; D113-V116 PolarHBondContact O-N 3.35Å; V116-N120 WeakPolarHBondContact O-CA 3.23Å; V116-N120 PolarHBondContact O-N 2.85Å; V116-N120 VanDerWaalsContact O-N 3.09Å; V116-L121 HydrophobicContact CB-CB 4.4Å; V116-L121 HydrophobicContact CG1-CB 4.34Å; V116-L121 HydrophobicContact CG2-CB 4.2Å; V116-L121 PolarHBondContact O-N 3.27Å; V116-A125 HydrophobicContact CG2-CB 4.24Å; V116-L127 HydrophobicContact CG2-CD1 3.95Å |
| 117 | S | 85.4 | Confident | 79.3 | Confident | 94 Ų | 94 | 76.3 Ų | 76.3 | 66% | 0.657 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.8 | -49.8 | 175.1 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | D113 L115 F119 | D113-S117 WeakPolarHBondContact O-CB 3.5Å; D113-S117 PolarHBondContact O-N 3.19Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 3.16Å; S117-F119 PolarHBondContact O-N 3.36Å |
| 118 | R | 84.4 | Confident | 78.9 | Confident | 65 Ų | 65 | 78.3 Ų | 78.3 | 25% | 0.245 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | -174.5 | 178.9 | 60.7 | -174 | 90.3 | 0.7 | 114.1 | W15 H18 K114 L115 | W15-R118 HydrophobicContact CH2-CB 4.06Å; W15-R118 HydrophobicContact CH2-CG 4.45Å; W15-R118 HydrophobicContact CZ3-CB 4.43Å; H18-R118 PolarHBondContact NE2-NE 3.32Å; K114-R118 VanDerWaalsContact O-CB 3.29Å; K114-R118 WeakPolarHBondContact O-CB 3.27Å; K114-R118 PolarHBondContact O-N 2.84Å; L115-R118 PolarHBondContact O-N 3.11Å |
| 119 | F | 80.4 | Confident | 78.5 | Confident | 82 Ų | 82 | 78.9 Ų | 78.9 | 36% | 0.36 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -102.6 | 5.7 | -173.8 | -64.1 | -67.9 | 0 | 0 | 0 | 113.3 | L115 S117 L121 | L115-F119 HydrophobicContact CB-CD2 4.34Å; L115-F119 HydrophobicContact CD2-CD2 4.24Å; L115-F119 HydrophobicContact CD2-CE2 3.72Å; L115-F119 WeakPolarHBondContact O-CB 3.21Å; L115-F119 VanDerWaalsContact O-CD2 3.28Å; L115-F119 WeakPolarHBondContact O-CD2 3.49Å; L115-F119 PolarHBondContact O-N 2.95Å; S117-F119 PolarHBondContact O-N 3.36Å; F119-L121 VanDerWaalsContact C-N 3.3Å; F119-L121 HydrophobicContact CB-CD1 4.07Å; F119-L121 HydrophobicContact CB-CD2 3.96Å; F119-L121 HydrophobicContact CB-CG 3.73Å; F119-L121 PolarHBondContact O-N 3.27Å |
| 120 | N | 77.6 | Confident | 77.9 | Confident | 133 Ų | 133 | 86.6 Ų | 86.6 | 71% | 0.711 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 43.9 | -176.9 | -62.9 | -60.9 | 0 | 0 | 0 | 112.8 | V116 S122 | V116-N120 WeakPolarHBondContact O-CA 3.23Å; V116-N120 PolarHBondContact O-N 2.85Å; V116-N120 VanDerWaalsContact O-N 3.09Å; N120-S122 PolarHBondContact O-N 2.88Å |
| 121 | L | 75.8 | Confident | 77.2 | Confident | 56 Ų | 56 | 85.9 Ų | 85.9 | 29% | 0.293 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -83.3 | 7.8 | -178 | -52.5 | 173.9 | 0 | 0 | 0 | 112.9 | V116 F119 K123 V124 A125 | V116-L121 HydrophobicContact CB-CB 4.4Å; V116-L121 HydrophobicContact CG1-CB 4.34Å; V116-L121 HydrophobicContact CG2-CB 4.2Å; V116-L121 PolarHBondContact O-N 3.27Å; F119-L121 VanDerWaalsContact C-N 3.3Å; F119-L121 HydrophobicContact CB-CD1 4.07Å; F119-L121 HydrophobicContact CB-CD2 3.96Å; F119-L121 HydrophobicContact CB-CG 3.73Å; F119-L121 PolarHBondContact O-N 3.27Å; L121-K123 PolarHBondContact O-N 2.85Å; L121-V124 WeakPolarHBondContact O-CA 3.43Å; L121-V124 PolarHBondContact O-N 3.07Å; L121-A125 PolarHBondContact O-N 3Å |
| 122 | S | 67.3 | Low | 76.3 | Confident | 93 Ų | 93 | 90 Ų | 90 | 65% | 0.65 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -58.5 | -23.7 | -174.8 | 55.2 | 0 | 0 | 0 | 0 | 114 | N120 V124 | N120-S122 PolarHBondContact O-N 2.88Å; S122-V124 VanDerWaalsContact C-N 3.31Å |
| 123 | K | 59 | Low | 75.2 | Confident | 202 Ų | 202 | 98 Ų | 98 | 88% | 0.878 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -79.7 | -9.1 | 174.7 | -65.2 | -177.9 | 179.3 | 179.3 | 0 | 114 | L121 | L121-K123 PolarHBondContact O-N 2.85Š|
| 124 | V | 58.3 | Low | 74.2 | Confident | 71 Ų | 71 | 97 Ų | 97 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | -13.7 | -167.8 | -175.3 | 0 | 0 | 0 | 0 | 112.5 | L69 L121 S122 K126 | L69-V124 HydrophobicContact CD1-CG1 3.66Å; L69-V124 HydrophobicContact CD2-CG1 3.65Å; L69-V124 HydrophobicContact CG-CG1 4.18Å; L121-V124 WeakPolarHBondContact O-CA 3.43Å; L121-V124 PolarHBondContact O-N 3.07Å; S122-V124 VanDerWaalsContact C-N 3.31Å; V124-K126 PolarHBondContact O-N 3.5Å |
| 125 | A | 59.9 | Low | 73.1 | Confident | 50 Ų | 50 | 101.5 Ų | 101.5 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | trans | -80.8 | 80.2 | -163.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V116 L121 | V116-A125 HydrophobicContact CG2-CB 4.24Å; L121-A125 PolarHBondContact O-N 3Å | ||
| 126 | K | 69.3 | Low | 72 | Confident | 208 Ų | 208 | 103 Ų | 103 | 90% | 0.904 | 52% | 0.519 | S | S | * | . | trans | -108.9 | 79.3 | 137.6 | -82.8 | -172.8 | 177.8 | -179 | 0 | 106.9 | V124 | V124-K126 PolarHBondContact O-N 3.5Š| ||
| 127 | L | 75.5 | Confident | 71 | Confident | 91 Ų | 91 | 110.2 Ų | 110.2 | 48% | 0.476 | 55% | 0.545 | S | S | . | . | trans | -79.4 | 121.8 | 176.4 | -65.1 | 173.1 | 0 | 0 | 0 | 108.5 | A112 V116 L129 | A112-L127 HydrophobicContact CB-CD1 4.15Å; V116-L127 HydrophobicContact CG2-CD1 3.95Å; L127-L129 HydrophobicContact CB-CD2 4.07Å | ||
| 128 | D | 77.1 | Confident | 69.9 | Low | 105 Ų | 105 | 115.8 Ų | 115.8 | 56% | 0.561 | 55% | 0.551 | S | S | * | * | trans | -82.1 | 114.6 | 163.3 | -171.5 | -10.2 | 0 | 0 | 0 | 108.5 | R130 | D128-R130 VanDerWaalsContact C-N 3.3Å; D128-R130 WeakPolarHBondContact OD1-CB 3.45Å; D128-R130 PolarHBondContact OD1-N 2.91Å | ||
| 129 | L | 79.1 | Confident | 68.4 | Low | 38 Ų | 38 | 120 Ų | 120 | 20% | 0.199 | 58% | 0.579 | C | S | . | * | S | Bend | trans | -89.5 | 3.5 | -177.1 | -58 | 178.3 | 0 | 0 | 0 | 113 | L102 A103 P108 S109 A112 L127 | L102-L129 HydrophobicContact CD2-CD2 3.53Å; L102-L129 HydrophobicContact CG-CD2 4.19Å; A103-L129 WeakPolarHBondContact CA-O 3.42Å; A103-L129 WeakPolarHBondContact CB-O 3.43Å; P108-L129 HydrophobicContact CB-CB 4.24Å; P108-L129 HydrophobicContact CG-CB 4.35Å; S109-L129 WeakPolarHBondContact OG-CD1 3.27Å; A112-L129 HydrophobicContact CB-CD1 4.45Å; A112-L129 HydrophobicContact CB-CD2 3.86Å; L127-L129 HydrophobicContact CB-CD2 4.07Å |
| 130 | R | 74.6 | Confident | 67.2 | Low | 222 Ų | 222 | 121 Ų | 121 | 84% | 0.838 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -107.3 | -9.8 | -177.8 | -59 | 179.9 | -179.7 | -176.4 | 0 | 112.8 | D128 L132 | D128-R130 VanDerWaalsContact C-N 3.3Å; D128-R130 WeakPolarHBondContact OD1-CB 3.45Å; D128-R130 PolarHBondContact OD1-N 2.91Å; R130-L132 PolarHBondContact O-N 2.94Å |
| 131 | T | 73 | Confident | 65.8 | Low | 39 Ų | 39 | 117.1 Ų | 117.1 | 24% | 0.239 | 59% | 0.587 | C | S | . | * | trans | -68.7 | 124.2 | -178 | -173 | 0 | 0 | 0 | 0 | 110.9 | A103 E133 | A103-T131 WeakPolarHBondContact CB-O 3.26Å; T131-E133 VanDerWaalsContact OG1-CB 3.27Å; T131-E133 WeakPolarHBondContact OG1-CB 3.44Å; T131-E133 VanDerWaalsContact OG1-CG 3.23Å; T131-E133 WeakPolarHBondContact OG1-CG 3.34Å; T131-E133 PolarHBondContact OG1-N 2.68Å; T131-E133 PolarHBondContact OG1-OE2 3.06Å | ||
| 132 | L | 70 | Confident | 64.2 | Low | 105 Ų | 105 | 124 Ų | 124 | 55% | 0.55 | 62% | 0.615 | S | S | . | * | trans | -112.3 | 18.6 | 165.6 | -63.8 | 173 | 0 | 0 | 0 | 109.8 | P101 A103 L104 R130 F134 | P101-L132 HydrophobicContact CB-CD2 4.44Å; A103-L132 HydrophobicContact CB-CD2 3.78Å; A103-L132 HydrophobicContact CB-CG 4.4Å; L104-L132 HydrophobicContact CD2-CD2 3.8Å; L104-L132 HydrophobicContact CG-CD2 4.37Å; R130-L132 PolarHBondContact O-N 2.94Å; L132-F134 VanDerWaalsContact C-N 3.27Å; L132-F134 PolarHBondContact O-N 3.14Å | ||
| 133 | E | 65.3 | Low | 63 | Low | 172 Ų | 172 | 130.3 Ų | 130.3 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | trans | -80.4 | -5.8 | -161 | -63.2 | 173.3 | 147.2 | 0 | 0 | 113.8 | T131 | T131-E133 VanDerWaalsContact OG1-CB 3.27Å; T131-E133 WeakPolarHBondContact OG1-CB 3.44Å; T131-E133 VanDerWaalsContact OG1-CG 3.23Å; T131-E133 WeakPolarHBondContact OG1-CG 3.34Å; T131-E133 PolarHBondContact OG1-N 2.68Å; T131-E133 PolarHBondContact OG1-OE2 3.06Å | ||
| 134 | F | 66.6 | Low | 62.1 | Low | 91 Ų | 91 | 131.2 Ų | 131.2 | 40% | 0.399 | 62% | 0.624 | S | S | . | * | trans | -99.9 | 131.2 | -179 | 64.9 | -94.7 | 0 | 0 | 0 | 111.7 | P101 L132 V136 | P101-F134 HydrophobicContact CB-CE1 3.63Å; P101-F134 HydrophobicContact CB-CE2 4.2Å; P101-F134 HydrophobicContact CB-CZ 3.38Å; P101-F134 HydrophobicContact CG-CE1 3.97Å; P101-F134 HydrophobicContact CG-CE2 3.66Å; P101-F134 HydrophobicContact CG-CZ 3.37Å; L132-F134 VanDerWaalsContact C-N 3.27Å; L132-F134 PolarHBondContact O-N 3.14Å; F134-V136 HydrophobicContact CD2-CG2 3.91Å; F134-V136 HydrophobicContact CE2-CG2 4.13Å | ||
| 135 | Q | 65 | Low | 61.3 | Low | 144 Ų | 144 | 133.5 Ų | 133.5 | 67% | 0.673 | 64% | 0.643 | S | S | * | * | trans | -105.1 | 126.5 | 170.6 | -67.8 | 175.9 | -3.7 | 0 | 0 | 107.9 | Y137 | Q135-Y137 HydrophobicContact CB-CD2 4.42Å; Q135-Y137 HydrophobicContact CB-CE2 3.74Å; Q135-Y137 PolarHBondContact OE1-OH 3.28Å | ||
| 136 | V | 63.2 | Low | 60.2 | Low | 76 Ų | 76 | 142.9 Ų | 142.9 | 46% | 0.461 | 68% | 0.678 | S | S | . | * | trans | -95.6 | 110.8 | 177.8 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | F99 F134 | F99-V136 HydrophobicContact CB-CG1 4.44Å; F99-V136 HydrophobicContact CB-CG2 3.92Å; F99-V136 HydrophobicContact CD2-CG1 3.98Å; F99-V136 HydrophobicContact CG-CG1 4.3Å; F99-V136 HydrophobicContact CG-CG2 4.35Å; F134-V136 HydrophobicContact CD2-CG2 3.91Å; F134-V136 HydrophobicContact CE2-CG2 4.13Å | ||
| 137 | Y | 63.8 | Low | 59.7 | Low | 177 Ų | 177 | 139.6 Ų | 139.6 | 69% | 0.694 | 67% | 0.667 | S | S | * | * | trans | -89.1 | 119 | 172.8 | -67 | -85.2 | 0 | 0 | 0 | 109.2 | Q135 N139 | Q135-Y137 HydrophobicContact CB-CD2 4.42Å; Q135-Y137 HydrophobicContact CB-CE2 3.74Å; Q135-Y137 PolarHBondContact OE1-OH 3.28Å; Y137-N139 PolarHBondContact O-N 3.32Å | ||
| 138 | R | 62.8 | Low | 58.9 | Low | 211 Ų | 211 | 142.2 Ų | 142.2 | 80% | 0.796 | 68% | 0.677 | S | S | * | * | trans | -78 | 123.1 | 172.4 | -73.4 | -178.1 | 176.6 | 146.9 | -1.7 | 108.7 | S140 | R138-S140 VanDerWaalsContact C-N 3.3Å; R138-S140 PolarHBondContact O-N 3.23Å | ||
| 139 | N | 54.1 | Low | 57.9 | Low | 154 Ų | 154 | 144.2 Ų | 144.2 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | trans | -73.8 | 92.5 | 160.8 | -162.9 | -7.8 | 0 | 0 | 0 | 107.5 | Y137 G141 | Y137-N139 PolarHBondContact O-N 3.32Å; N139-G141 PolarHBondContact O-N 2.9Å | ||
| 140 | S | 53.7 | Low | 56.7 | Low | 104 Ų | 104 | 150.5 Ų | 150.5 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -69.8 | 82.7 | 168.2 | 50.5 | 0 | 0 | 0 | 0 | 107.4 | R138 K142 | R138-S140 VanDerWaalsContact C-N 3.3Å; R138-S140 PolarHBondContact O-N 3.23Å; S140-K142 PolarHBondContact O-N 2.99Å | ||
| 141 | G | 47.7 | Very low | 55.5 | Low | 51 Ų | 51 | 146 Ų | 146 | 53% | 0.526 | 70% | 0.704 | S | S | . | * | trans | -52.9 | 104.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | N139 Y143 | N139-G141 PolarHBondContact O-N 2.9Å; G141-Y143 VanDerWaalsContact C-N 3.29Å; G141-Y143 PolarHBondContact O-N 3.45Å | ||
| 142 | K | 43.1 | Very low | 54.4 | Low | 200 Ų | 200 | 153.1 Ų | 153.1 | 87% | 0.87 | 74% | 0.735 | S | S | * | * | trans | -65.2 | 102.1 | 155.5 | -75.1 | -175 | 178.2 | -179.2 | 0 | 104.7 | S140 R144 | S140-K142 PolarHBondContact O-N 2.99Å; K142-R144 VanDerWaalsContact C-N 3.27Å; K142-R144 PolarHBondContact O-N 3.37Å | ||
| 143 | Y | 42.8 | Very low | 53.2 | Low | 225 Ų | 225 | 156.6 Ų | 156.6 | 88% | 0.882 | 75% | 0.748 | S | S | * | * | trans | -54.4 | 101.1 | 161.4 | -72.2 | -86.1 | 0 | 0 | 0 | 106.4 | G141 S145 | G141-Y143 VanDerWaalsContact C-N 3.29Å; G141-Y143 PolarHBondContact O-N 3.45Å; Y143-S145 VanDerWaalsContact C-N 3.32Å; Y143-S145 PolarHBondContact O-N 2.97Å; Y143-S145 VanDerWaalsContact O-N 3.1Å | ||
| 144 | R | 40.3 | Very low | 52.3 | Low | 222 Ų | 222 | 155.4 Ų | 155.4 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | trans | -71.1 | 99.1 | 163.4 | -90.2 | -174.3 | 178.7 | 175.8 | -0 | 105.2 | K142 Q146 | K142-R144 VanDerWaalsContact C-N 3.27Å; K142-R144 PolarHBondContact O-N 3.37Å; R144-Q146 PolarHBondContact O-N 3.32Å | ||
| 145 | S | 40.6 | Very low | 51.1 | Low | 118 Ų | 118 | 160.8 Ų | 160.8 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -58.9 | 111.3 | 153.8 | 4.5 | 0 | 0 | 0 | 0 | 106.9 | Y143 | Y143-S145 VanDerWaalsContact C-N 3.32Å; Y143-S145 PolarHBondContact O-N 2.97Å; Y143-S145 VanDerWaalsContact O-N 3.1Å | ||
| 146 | Q | 36.7 | Very low | 49.9 | Very low | 247 Ų | 247 | 162.3 Ų | 162.3 | 100% | 1.154 | 78% | 0.782 | S | S | * | * | trans | -93.4 | 0 | 153.6 | -75.4 | -168 | 7.6 | 0 | 0 | 107.7 | R144 | R144-Q146 PolarHBondContact O-N 3.32Š|
Retrieved 146 of 146 residues in 174 ms
(Link to these results)