| 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 | 47 | Very low | 58.9 | Low | 236 Ų | 236 | 102.8 Ų | 102.8 | 100% | 1.163 | 54% | 0.543 | S | S | * | . | 0 | 57.9 | 0 | -72.3 | -167.6 | -75.3 | 0 | 0 | 109.2 | |||||
| 2 | E | 45 | Very low | 61.3 | Low | 163 Ų | 163 | 97.1 Ų | 97.1 | 76% | 0.762 | 52% | 0.516 | S | S | * | . | trans | -107.7 | -20.1 | -170.4 | -68.8 | 170.7 | 160.5 | 0 | 0 | 112.9 | Q4 | E2-Q4 PolarHBondContact O-N 3.09Š| ||
| 3 | G | 48.1 | Very low | 63.5 | Low | 58 Ų | 58 | 90.7 Ų | 90.7 | 60% | 0.598 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -71 | -22.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 4 | Q | 50.6 | Low | 65.5 | Low | 137 Ų | 137 | 89.9 Ų | 89.9 | 64% | 0.64 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -84.5 | -15.7 | -176.9 | -76.4 | -179.7 | -7 | 0 | 0 | 114.2 | E2 K8 | E2-Q4 PolarHBondContact O-N 3.09Å; Q4-K8 VanDerWaalsContact O-CD 3.32Å; Q4-K8 WeakPolarHBondContact O-CD 3.45Å; Q4-K8 VanDerWaalsContact O-CG 3.22Å; Q4-K8 WeakPolarHBondContact O-CG 3.31Å |
| 5 | Q | 50.7 | Low | 67.4 | Low | 92 Ų | 92 | 89.6 Ų | 89.6 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -90.7 | -35.3 | -173 | -151 | 82.7 | 4 | 0 | 0 | 112.1 | K8 S9 | Q5-K8 PolarHBondContact O-N 2.95Å; Q5-S9 PolarHBondContact O-N 3.07Å |
| 6 | G | 55 | Low | 69.3 | Low | 26 Ų | 26 | 84 Ų | 84 | 27% | 0.268 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K8 S9 H10 | G6-K8 VanDerWaalsContact C-N 3.27Å; G6-K8 PolarHBondContact O-N 3.08Å; G6-S9 PolarHBondContact O-N 3.23Å; G6-H10 PolarHBondContact O-N 3.3Å; G6-H10 VanDerWaalsContact O-N 3.1Å |
| 7 | E | 60 | Low | 70.8 | Confident | 143 Ų | 143 | 82.3 Ų | 82.3 | 67% | 0.668 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -58.9 | -37.9 | 173.8 | -70.3 | 179.1 | 164.3 | 0 | 0 | 112.1 | A11 | E7-A11 WeakPolarHBondContact O-CB 3.5Å; E7-A11 PolarHBondContact O-N 3.35Å |
| 8 | K | 64.9 | Low | 72.3 | Confident | 114 Ų | 114 | 79.8 Ų | 79.8 | 50% | 0.496 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.2 | -38.2 | 177.7 | -73.8 | 173 | -172.2 | 177.6 | 0 | 112.8 | Q4 Q5 G6 A11 T12 | Q4-K8 VanDerWaalsContact O-CD 3.32Å; Q4-K8 WeakPolarHBondContact O-CD 3.45Å; Q4-K8 VanDerWaalsContact O-CG 3.22Å; Q4-K8 WeakPolarHBondContact O-CG 3.31Å; Q5-K8 PolarHBondContact O-N 2.95Å; G6-K8 VanDerWaalsContact C-N 3.27Å; G6-K8 PolarHBondContact O-N 3.08Å; K8-A11 PolarHBondContact O-N 3.47Å; K8-T12 WeakPolarHBondContact O-CB 3.3Å; K8-T12 PolarHBondContact O-N 3.02Å; K8-T12 PolarHBondContact O-OG1 3.42Å |
| 9 | S | 69.3 | Low | 73.6 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.7 | -47.1 | 179 | -171.7 | 0 | 0 | 0 | 0 | 110.3 | Q5 G6 A11 T12 L13 Y35 K52 | Q5-S9 PolarHBondContact O-N 3.07Å; G6-S9 PolarHBondContact O-N 3.23Å; S9-A11 PolarHBondContact O-N 3.36Å; S9-T12 WeakPolarHBondContact O-CB 3.5Å; S9-T12 PolarHBondContact O-N 3.11Å; S9-T12 VanDerWaalsContact O-N 3.14Å; S9-L13 PolarHBondContact O-N 2.92Å; S9-L13 VanDerWaalsContact O-N 3.12Å; S9-Y35 WeakPolarHBondContact O-CD2 3.4Å; S9-Y35 VanDerWaalsContact O-CE2 3.29Å; S9-Y35 WeakPolarHBondContact O-CE2 3.29Å; S9-Y35 WeakPolarHBondContact OG-CE2 3.31Å; S9-K52 WeakPolarHBondContact CB-O 3.47Å; S9-K52 PolarHBondContact OG-O 3.27Å |
| 10 | H | 75.4 | Confident | 74.8 | Confident | 106 Ų | 106 | 74.9 Ų | 74.9 | 49% | 0.491 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 175.4 | -171.1 | 69.2 | 0 | 0 | 0 | 113 | G6 T12 L13 T14 D57 | G6-H10 PolarHBondContact O-N 3.3Å; G6-H10 VanDerWaalsContact O-N 3.1Å; H10-T12 VanDerWaalsContact C-N 3.33Å; H10-T12 PolarHBondContact O-N 2.99Å; H10-L13 PolarHBondContact O-N 3.44Å; H10-T14 PolarHBondContact O-N 3.3Å; H10-T14 PolarHBondContact O-OG1 3.24Å; H10-D57 IonicContact ND1-OD2 3.68Å |
| 11 | A | 82.5 | Confident | 75.8 | Confident | 56 Ų | 56 | 77 Ų | 77 | 46% | 0.463 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E7 K8 S9 T14 L15 | E7-A11 WeakPolarHBondContact O-CB 3.5Å; E7-A11 PolarHBondContact O-N 3.35Å; K8-A11 PolarHBondContact O-N 3.47Å; S9-A11 PolarHBondContact O-N 3.36Å; A11-T14 PolarHBondContact O-N 3.18Å; A11-L15 WeakPolarHBondContact O-CB 3.41Å; A11-L15 PolarHBondContact O-N 3.28Å |
| 12 | T | 86.9 | Confident | 78.2 | Confident | 34 Ų | 34 | 72.7 Ų | 72.7 | 21% | 0.209 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 177.3 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | K8 S9 H10 L15 A16 L31 | K8-T12 WeakPolarHBondContact O-CB 3.3Å; K8-T12 PolarHBondContact O-N 3.02Å; K8-T12 PolarHBondContact O-OG1 3.42Å; S9-T12 WeakPolarHBondContact O-CB 3.5Å; S9-T12 PolarHBondContact O-N 3.11Å; S9-T12 VanDerWaalsContact O-N 3.14Å; H10-T12 VanDerWaalsContact C-N 3.33Å; H10-T12 PolarHBondContact O-N 2.99Å; T12-L15 PolarHBondContact O-N 3.3Å; T12-A16 WeakPolarHBondContact O-CB 3.35Å; T12-A16 PolarHBondContact O-N 2.97Å; T12-L31 HydrophobicContact CG2-CD2 4.29Å |
| 13 | L | 89.6 | Confident | 80.7 | Confident | 14 Ų | 14 | 66.5 Ų | 66.5 | 7% | 0.073 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 176.9 | -175.5 | 67.5 | 0 | 0 | 0 | 112 | S9 H10 L15 A16 Q17 Y32 Y35 D57 A61 | S9-L13 PolarHBondContact O-N 2.92Å; S9-L13 VanDerWaalsContact O-N 3.12Å; H10-L13 PolarHBondContact O-N 3.44Å; L13-L15 VanDerWaalsContact C-N 3.28Å; L13-L15 PolarHBondContact O-N 3.36Å; L13-A16 WeakPolarHBondContact O-CB 3.47Å; L13-A16 PolarHBondContact O-N 3.37Å; L13-A16 VanDerWaalsContact O-N 3.17Å; L13-Q17 PolarHBondContact O-N 3Å; L13-Y32 HydrophobicContact CD1-CD1 4.02Å; L13-Y32 HydrophobicContact CD1-CE1 3.77Å; L13-Y35 HydrophobicContact CB-CD2 3.95Å; L13-Y35 HydrophobicContact CB-CE2 3.88Å; L13-Y35 HydrophobicContact CD1-CD1 4.36Å; L13-Y35 HydrophobicContact CD1-CE1 4.45Å; L13-Y35 HydrophobicContact CD1-CG 4.48Å; L13-Y35 HydrophobicContact CD2-CE2 4.49Å; L13-D57 HydrophobicContact CD2-CB 3.56Å; L13-D57 VanDerWaalsContact CD2-CG 3.46Å; L13-A61 HydrophobicContact CD1-CB 3.95Å |
| 14 | T | 91.9 | Very high | 83 | Confident | 80 Ų | 80 | 67.3 Ų | 67.3 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 177.1 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | H10 A11 Q17 A18 | H10-T14 PolarHBondContact O-N 3.3Å; H10-T14 PolarHBondContact O-OG1 3.24Å; A11-T14 PolarHBondContact O-N 3.18Å; T14-Q17 PolarHBondContact O-N 3.17Å; T14-A18 PolarHBondContact O-N 3.05Å |
| 15 | L | 95 | Very high | 85.3 | Confident | 85 Ų | 85 | 65 Ų | 65 | 45% | 0.445 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 175.9 | -176.2 | 61.3 | 0 | 0 | 0 | 111.6 | A11 T12 L13 Q17 A18 H19 L31 | A11-L15 WeakPolarHBondContact O-CB 3.41Å; A11-L15 PolarHBondContact O-N 3.28Å; T12-L15 PolarHBondContact O-N 3.3Å; L13-L15 VanDerWaalsContact C-N 3.28Å; L13-L15 PolarHBondContact O-N 3.36Å; L15-Q17 VanDerWaalsContact C-N 3.29Å; L15-Q17 PolarHBondContact O-N 3.24Å; L15-A18 WeakPolarHBondContact O-CB 3.19Å; L15-A18 PolarHBondContact O-N 3.1Å; L15-A18 VanDerWaalsContact O-N 3.15Å; L15-H19 PolarHBondContact O-CD2 2.9Å; L15-H19 VanDerWaalsContact O-CD2 3.24Å; L15-H19 PolarHBondContact O-N 3.47Å; L15-L31 HydrophobicContact CB-CD1 4.37Å; L15-L31 HydrophobicContact CD2-CD1 4.06Å; L15-L31 HydrophobicContact CD2-CD2 4.2Å; L15-L31 HydrophobicContact CG-CD1 3.78Å |
| 16 | A | 96.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.1 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | T12 L13 A18 H19 F20 L31 Y32 | T12-A16 WeakPolarHBondContact O-CB 3.35Å; T12-A16 PolarHBondContact O-N 2.97Å; L13-A16 WeakPolarHBondContact O-CB 3.47Å; L13-A16 PolarHBondContact O-N 3.37Å; L13-A16 VanDerWaalsContact O-N 3.17Å; A16-A18 VanDerWaalsContact C-N 3.34Å; A16-A18 PolarHBondContact O-N 3.08Å; A16-H19 PolarHBondContact O-N 2.97Å; A16-F20 WeakPolarHBondContact O-CB 3.19Å; A16-F20 PolarHBondContact O-N 3.47Å; A16-L31 HydrophobicContact CB-CB 3.55Å; A16-L31 HydrophobicContact CB-CD1 4.37Å; A16-Y32 HydrophobicContact CB-CD1 3.69Å; A16-Y32 HydrophobicContact CB-CD2 4.2Å; A16-Y32 HydrophobicContact CB-CE1 3.57Å; A16-Y32 HydrophobicContact CB-CE2 4.09Å; A16-Y32 HydrophobicContact CB-CG 4Å |
| 17 | Q | 95.6 | Very high | 89.5 | Confident | 55 Ų | 55 | 67 Ų | 67 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 176.8 | -171.4 | 64.1 | 59.2 | 0 | 0 | 112.2 | L13 T14 L15 F20 N21 Y32 N64 | L13-Q17 PolarHBondContact O-N 3Å; T14-Q17 PolarHBondContact O-N 3.17Å; L15-Q17 VanDerWaalsContact C-N 3.29Å; L15-Q17 PolarHBondContact O-N 3.24Å; Q17-F20 PolarHBondContact O-N 3.5Å; Q17-N21 PolarHBondContact NE2-OD1 3Å; Q17-N21 WeakPolarHBondContact O-CB 3.4Å; Q17-N21 PolarHBondContact O-N 2.56Å; Q17-N21 PolarHBondContact O-ND2 3.38Å; Q17-N21 PolarHBondContact O-OD1 3.34Å; Q17-Y32 WeakPolarHBondContact CA-OH 3.08Å; Q17-Y32 PolarHBondContact OE1-OH 2.95Å; Q17-N64 PolarHBondContact OE1-ND2 2.94Å |
| 18 | A | 97.2 | Very high | 91.3 | Very high | 37 Ų | 37 | 60.2 Ų | 60.2 | 31% | 0.306 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T14 L15 A16 K22 | T14-A18 PolarHBondContact O-N 3.05Å; L15-A18 WeakPolarHBondContact O-CB 3.19Å; L15-A18 PolarHBondContact O-N 3.1Å; L15-A18 VanDerWaalsContact O-N 3.15Å; A16-A18 VanDerWaalsContact C-N 3.34Å; A16-A18 PolarHBondContact O-N 3.08Å; A18-K22 VanDerWaalsContact O-CG 3.31Å; A18-K22 WeakPolarHBondContact O-CG 3.38Å; A18-K22 PolarHBondContact O-N 2.89Å |
| 19 | H | 97.8 | Very high | 92.9 | Very high | 37 Ų | 37 | 56.5 Ų | 56.5 | 17% | 0.171 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 173.7 | -78 | -70.5 | 0 | 0 | 0 | 111.5 | L15 A16 N21 K22 G23 E24 E27 A28 L31 | L15-H19 PolarHBondContact O-CD2 2.9Å; L15-H19 VanDerWaalsContact O-CD2 3.24Å; L15-H19 PolarHBondContact O-N 3.47Å; A16-H19 PolarHBondContact O-N 2.97Å; H19-N21 PolarHBondContact O-N 3.08Å; H19-K22 PolarHBondContact O-N 3.49Å; H19-K22 VanDerWaalsContact O-N 3.1Å; H19-G23 PolarHBondContact O-N 2.98Å; H19-E24 HydrophobicContact CB-CB 4.02Å; H19-E24 IonicContact CE1-OE2 3.42Å; H19-E24 PolarHBondContact CE1-OE2 2.88Å; H19-E24 IonicContact CG-OE2 3.59Å; H19-E24 IonicContact ND1-OE2 2.64Å; H19-E24 PolarHBondContact ND1-OE2 3.36Å; H19-E24 PolarHBondContact O-N 3.49Å; H19-E27 HydrophobicContact CB-CB 4.29Å; H19-A28 HydrophobicContact CB-CB 3.89Å; H19-L31 VanDerWaalsContact CD2-CD1 3.44Å; H19-L31 WeakPolarHBondContact CD2-CD1 3.4Å |
| 20 | F | 97.4 | Very high | 94.2 | Very high | 24 Ų | 24 | 60.8 Ų | 60.8 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.1 | -47.8 | 177.1 | -175.9 | -85.6 | 0 | 0 | 0 | 111.9 | A16 Q17 K22 G23 Y25 A28 Y32 Q67 I68 F71 | A16-F20 WeakPolarHBondContact O-CB 3.19Å; A16-F20 PolarHBondContact O-N 3.47Å; Q17-F20 PolarHBondContact O-N 3.5Å; F20-K22 PolarHBondContact O-N 3.27Å; F20-G23 PolarHBondContact O-N 2.93Å; F20-Y25 HydrophobicContact CD2-CD1 4.1Å; F20-Y25 HydrophobicContact CD2-CE1 4.13Å; F20-Y25 HydrophobicContact CE2-CD1 4.27Å; F20-Y25 HydrophobicContact CE2-CE1 4.05Å; F20-Y25 HydrophobicContact CZ-CE1 4.39Å; F20-A28 HydrophobicContact CB-CB 4.05Å; F20-Y32 HydrophobicContact CB-CE2 4.31Å; F20-Y32 HydrophobicContact CD2-CE2 4.24Å; F20-Q67 HydrophobicContact CE2-CB 4.38Å; F20-Q67 HydrophobicContact CE2-CG 4.46Å; F20-Q67 HydrophobicContact CZ-CB 4.45Å; F20-Q67 HydrophobicContact CZ-CG 4.15Å; F20-I68 HydrophobicContact CD2-CD1 3.99Å; F20-I68 HydrophobicContact CD2-CG1 3.81Å; F20-I68 HydrophobicContact CE2-CD1 4.43Å; F20-I68 HydrophobicContact CE2-CG1 3.78Å; F20-F71 HydrophobicContact CE2-CE2 4.46Å; F20-F71 HydrophobicContact CZ-CE2 4.22Å |
| 21 | N | 96.6 | Very high | 95.2 | Very high | 119 Ų | 119 | 57.4 Ų | 57.4 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.1 | -24 | 179.6 | -68.9 | -10.6 | 0 | 0 | 0 | 113.1 | Q17 H19 | Q17-N21 PolarHBondContact NE2-OD1 3Å; Q17-N21 WeakPolarHBondContact O-CB 3.4Å; Q17-N21 PolarHBondContact O-N 2.56Å; Q17-N21 PolarHBondContact O-ND2 3.38Å; Q17-N21 PolarHBondContact O-OD1 3.34Å; H19-N21 PolarHBondContact O-N 3.08Å |
| 22 | K | 97.3 | Very high | 95.9 | Very high | 146 Ų | 146 | 54.7 Ų | 54.7 | 64% | 0.635 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -86 | -8 | 174.7 | -68.8 | 171.5 | -177.4 | 179.9 | 0 | 113.3 | A18 H19 F20 E24 | A18-K22 VanDerWaalsContact O-CG 3.31Å; A18-K22 WeakPolarHBondContact O-CG 3.38Å; A18-K22 PolarHBondContact O-N 2.89Å; H19-K22 PolarHBondContact O-N 3.49Å; H19-K22 VanDerWaalsContact O-N 3.1Å; F20-K22 PolarHBondContact O-N 3.27Å; K22-E24 VanDerWaalsContact C-N 3.31Å; K22-E24 HydrophobicContact CB-CG 4.04Å; K22-E24 VanDerWaalsContact CD-OE2 3.29Å; K22-E24 WeakPolarHBondContact CD-OE2 3.47Å |
| 23 | G | 96.2 | Very high | 96.4 | Very high | 34 Ų | 34 | 54.2 Ų | 54.2 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 11.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | H19 F20 Y25 | H19-G23 PolarHBondContact O-N 2.98Å; F20-G23 PolarHBondContact O-N 2.93Å; G23-Y25 WeakPolarHBondContact O-CD2 3.18Å; G23-Y25 PolarHBondContact O-N 3.46Å |
| 24 | E | 97.8 | Very high | 96.5 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 35% | 0.346 | 31% | 0.306 | S | S | . | . | trans | -80.4 | 65.1 | 176.1 | -64.9 | 166 | 162 | 0 | 0 | 108.8 | H19 K22 A26 E27 A28 | H19-E24 HydrophobicContact CB-CB 4.02Å; H19-E24 IonicContact CE1-OE2 3.42Å; H19-E24 PolarHBondContact CE1-OE2 2.88Å; H19-E24 IonicContact CG-OE2 3.59Å; H19-E24 IonicContact ND1-OE2 2.64Å; H19-E24 PolarHBondContact ND1-OE2 3.36Å; H19-E24 PolarHBondContact O-N 3.49Å; K22-E24 VanDerWaalsContact C-N 3.31Å; K22-E24 HydrophobicContact CB-CG 4.04Å; K22-E24 VanDerWaalsContact CD-OE2 3.29Å; K22-E24 WeakPolarHBondContact CD-OE2 3.47Å; E24-A26 PolarHBondContact O-N 2.98Å; E24-E27 PolarHBondContact O-N 3.48Å; E24-A28 WeakPolarHBondContact O-CB 3.47Å; E24-A28 PolarHBondContact O-N 3.12Å | ||
| 25 | Y | 97.3 | Very high | 96.5 | Very high | 90 Ų | 90 | 51.5 Ų | 51.5 | 35% | 0.353 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.2 | -30.2 | -166 | -62.5 | -51.5 | 0 | 0 | 0 | 113.9 | F20 G23 A28 E29 I68 F71 | F20-Y25 HydrophobicContact CD2-CD1 4.1Å; F20-Y25 HydrophobicContact CD2-CE1 4.13Å; F20-Y25 HydrophobicContact CE2-CD1 4.27Å; F20-Y25 HydrophobicContact CE2-CE1 4.05Å; F20-Y25 HydrophobicContact CZ-CE1 4.39Å; G23-Y25 WeakPolarHBondContact O-CD2 3.18Å; G23-Y25 PolarHBondContact O-N 3.46Å; Y25-A28 PolarHBondContact O-N 3.06Å; Y25-E29 VanDerWaalsContact O-CB 3.24Å; Y25-E29 WeakPolarHBondContact O-CB 3.29Å; Y25-E29 PolarHBondContact O-N 3.06Å; Y25-I68 HydrophobicContact CD1-CG1 3.97Å; Y25-I68 HydrophobicContact CG-CG1 4.44Å; Y25-F71 HydrophobicContact CD1-CD2 4.49Å; Y25-F71 HydrophobicContact CE1-CD2 4Å; Y25-F71 AromaticContact CE1-CE2 3.92Å; Y25-F71 HydrophobicContact CE1-CE2 3.92Å; Y25-F71 HydrophobicContact CE2-CD2 4.02Å; Y25-F71 HydrophobicContact CE2-CE2 4.46Å; Y25-F71 AromaticContact CZ-CD2 3.74Å; Y25-F71 AromaticContact CZ-CE2 3.75Å |
| 26 | A | 97.1 | Very high | 96.4 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 51% | 0.512 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.1 | -43.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E24 T30 | E24-A26 PolarHBondContact O-N 2.98Å; A26-T30 PolarHBondContact O-N 3.43Å; A26-T30 VanDerWaalsContact O-N 3.14Å; A26-T30 PolarHBondContact O-OG1 3.01Å |
| 27 | E | 97.6 | Very high | 96.1 | Very high | 97 Ų | 97 | 55.4 Ų | 55.4 | 45% | 0.453 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 174.7 | -66.2 | 77.6 | -175 | 0 | 0 | 110.5 | H19 E24 E29 T30 L31 | H19-E27 HydrophobicContact CB-CB 4.29Å; E24-E27 PolarHBondContact O-N 3.48Å; E27-E29 PolarHBondContact O-N 3.22Å; E27-T30 PolarHBondContact O-N 3.21Å; E27-L31 VanDerWaalsContact O-CG 3.29Å; E27-L31 WeakPolarHBondContact O-CG 3.41Å; E27-L31 PolarHBondContact O-N 2.99Å |
| 28 | A | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H19 F20 E24 Y25 T30 L31 Y32 I68 | H19-A28 HydrophobicContact CB-CB 3.89Å; F20-A28 HydrophobicContact CB-CB 4.05Å; E24-A28 WeakPolarHBondContact O-CB 3.47Å; E24-A28 PolarHBondContact O-N 3.12Å; Y25-A28 PolarHBondContact O-N 3.06Å; A28-T30 VanDerWaalsContact C-N 3.32Å; A28-T30 PolarHBondContact O-N 3.4Å; A28-L31 PolarHBondContact O-N 3.49Å; A28-Y32 HydrophobicContact CB-CD2 4.36Å; A28-Y32 HydrophobicContact CB-CE2 4.11Å; A28-Y32 WeakPolarHBondContact O-CD2 3.49Å; A28-Y32 PolarHBondContact O-N 3.14Å; A28-I68 HydrophobicContact CB-CD1 3.76Å |
| 29 | E | 97.9 | Very high | 95.1 | Very high | 36 Ų | 36 | 54.3 Ų | 54.3 | 17% | 0.168 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 178.7 | -176.5 | -179.6 | 174.1 | 0 | 0 | 111.9 | Y25 E27 L31 S33 R65 I68 R72 | Y25-E29 VanDerWaalsContact O-CB 3.24Å; Y25-E29 WeakPolarHBondContact O-CB 3.29Å; Y25-E29 PolarHBondContact O-N 3.06Å; E27-E29 PolarHBondContact O-N 3.22Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 2.77Å; E29-S33 VanDerWaalsContact O-CB 3.28Å; E29-S33 WeakPolarHBondContact O-CB 3.28Å; E29-S33 PolarHBondContact O-N 3.3Å; E29-S33 PolarHBondContact O-OG 2.93Å; E29-R65 HydrophobicContact CG-CG 4.21Å; E29-I68 HydrophobicContact CB-CD1 3.93Å; E29-I68 HydrophobicContact CB-CG2 4.11Å; E29-R72 IonicContact OE1-NH1 2.59Å; E29-R72 IonicContact OE2-NH1 3.97Å; E29-R72 PolarHBondContact OE2-NH1 3.09Å |
| 30 | T | 97.6 | Very high | 94 | Very high | 90 Ų | 90 | 55.3 Ų | 55.3 | 55% | 0.552 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | 177.1 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | A26 E27 A28 S33 A34 | A26-T30 PolarHBondContact O-N 3.43Å; A26-T30 VanDerWaalsContact O-N 3.14Å; A26-T30 PolarHBondContact O-OG1 3.01Å; E27-T30 PolarHBondContact O-N 3.21Å; A28-T30 VanDerWaalsContact C-N 3.32Å; A28-T30 PolarHBondContact O-N 3.4Å; T30-S33 PolarHBondContact O-N 3.36Å; T30-A34 WeakPolarHBondContact O-CB 3.39Å; T30-A34 PolarHBondContact O-N 2.95Å |
| 31 | L | 96.6 | Very high | 92.3 | Very high | 35 Ų | 35 | 58 Ų | 58 | 18% | 0.183 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.4 | -43.6 | -179.6 | -68.4 | 165.9 | 0 | 0 | 0 | 112.2 | T12 L15 A16 H19 E27 A28 E29 S33 A34 Y35 | T12-L31 HydrophobicContact CG2-CD2 4.29Å; L15-L31 HydrophobicContact CB-CD1 4.37Å; L15-L31 HydrophobicContact CD2-CD1 4.06Å; L15-L31 HydrophobicContact CD2-CD2 4.2Å; L15-L31 HydrophobicContact CG-CD1 3.78Å; A16-L31 HydrophobicContact CB-CB 3.55Å; A16-L31 HydrophobicContact CB-CD1 4.37Å; H19-L31 VanDerWaalsContact CD2-CD1 3.44Å; H19-L31 WeakPolarHBondContact CD2-CD1 3.4Å; E27-L31 VanDerWaalsContact O-CG 3.29Å; E27-L31 WeakPolarHBondContact O-CG 3.41Å; E27-L31 PolarHBondContact O-N 2.99Å; A28-L31 PolarHBondContact O-N 3.49Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 2.77Å; L31-S33 VanDerWaalsContact C-N 3.31Å; L31-S33 PolarHBondContact O-N 3.37Å; L31-A34 PolarHBondContact O-N 3.35Å; L31-Y35 WeakPolarHBondContact O-CB 3.47Å; L31-Y35 PolarHBondContact O-N 3.05Å |
| 32 | Y | 96.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 173.1 | -72.4 | -55.4 | 0 | 0 | 0 | 111.3 | L13 A16 Q17 F20 A28 A34 Y35 I36 A61 N64 I68 | L13-Y32 HydrophobicContact CD1-CD1 4.02Å; L13-Y32 HydrophobicContact CD1-CE1 3.77Å; A16-Y32 HydrophobicContact CB-CD1 3.69Å; A16-Y32 HydrophobicContact CB-CD2 4.2Å; A16-Y32 HydrophobicContact CB-CE1 3.57Å; A16-Y32 HydrophobicContact CB-CE2 4.09Å; A16-Y32 HydrophobicContact CB-CG 4Å; Q17-Y32 WeakPolarHBondContact CA-OH 3.08Å; Q17-Y32 PolarHBondContact OE1-OH 2.95Å; F20-Y32 HydrophobicContact CB-CE2 4.31Å; F20-Y32 HydrophobicContact CD2-CE2 4.24Å; A28-Y32 HydrophobicContact CB-CD2 4.36Å; A28-Y32 HydrophobicContact CB-CE2 4.11Å; A28-Y32 WeakPolarHBondContact O-CD2 3.49Å; A28-Y32 PolarHBondContact O-N 3.14Å; Y32-A34 VanDerWaalsContact C-N 3.34Å; Y32-A34 PolarHBondContact O-N 2.89Å; Y32-Y35 PolarHBondContact O-N 3.09Å; Y32-I36 WeakPolarHBondContact O-CB 3.32Å; Y32-I36 WeakPolarHBondContact O-CD1 3.33Å; Y32-I36 VanDerWaalsContact O-CG1 3.25Å; Y32-I36 WeakPolarHBondContact O-CG1 3.32Å; Y32-I36 PolarHBondContact O-N 3.33Å; Y32-A61 HydrophobicContact CD1-CB 3.88Å; Y32-N64 HydrophobicContact CD2-CB 4.28Å; Y32-N64 HydrophobicContact CE1-CB 3.96Å; Y32-N64 HydrophobicContact CE2-CB 3.59Å; Y32-N64 VanDerWaalsContact CZ-CB 3.41Å; Y32-N64 WeakPolarHBondContact OH-CB 3.45Å; Y32-N64 PolarHBondContact OH-ND2 2.96Å; Y32-I68 HydrophobicContact CD2-CD1 3.97Å; Y32-I68 HydrophobicContact CE2-CD1 4.12Å |
| 33 | S | 96 | Very high | 88.3 | Confident | 23 Ų | 23 | 49.9 Ų | 49.9 | 16% | 0.161 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.6 | -33.8 | 176.6 | -62.9 | 0 | 0 | 0 | 0 | 113 | E29 T30 L31 R37 R65 | E29-S33 VanDerWaalsContact O-CB 3.28Å; E29-S33 WeakPolarHBondContact O-CB 3.28Å; E29-S33 PolarHBondContact O-N 3.3Å; E29-S33 PolarHBondContact O-OG 2.93Å; T30-S33 PolarHBondContact O-N 3.36Å; L31-S33 VanDerWaalsContact C-N 3.31Å; L31-S33 PolarHBondContact O-N 3.37Å; S33-R37 WeakPolarHBondContact O-CB 3.25Å; S33-R37 VanDerWaalsContact O-CG 3.25Å; S33-R37 WeakPolarHBondContact O-CG 3.42Å; S33-R37 PolarHBondContact O-N 3.29Å; S33-R37 PolarHBondContact O-NE 3.32Å; S33-R37 VanDerWaalsContact O-NE 3.1Å; S33-R65 WeakPolarHBondContact OG-CD 3.45Å; S33-R65 PolarHBondContact OG-NH1 3.09Å; S33-R65 VanDerWaalsContact OG-NH1 3.13Å |
| 34 | A | 93 | Very high | 86.3 | Confident | 36 Ų | 36 | 53.1 Ų | 53.1 | 30% | 0.298 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.7 | -45.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T30 L31 Y32 R37 Q38 | T30-A34 WeakPolarHBondContact O-CB 3.39Å; T30-A34 PolarHBondContact O-N 2.95Å; L31-A34 PolarHBondContact O-N 3.35Å; Y32-A34 VanDerWaalsContact C-N 3.34Å; Y32-A34 PolarHBondContact O-N 2.89Å; A34-R37 PolarHBondContact O-N 3.31Å; A34-Q38 WeakPolarHBondContact O-CB 3.31Å; A34-Q38 PolarHBondContact O-N 2.9Å |
| 35 | Y | 92 | Very high | 84.3 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.2 | -53.9 | 176.7 | -178.5 | -92.2 | 0 | 0 | 0 | 111.5 | S9 L13 L31 Y32 R37 Q38 C39 C53 D57 L58 A61 | S9-Y35 WeakPolarHBondContact O-CD2 3.4Å; S9-Y35 VanDerWaalsContact O-CE2 3.29Å; S9-Y35 WeakPolarHBondContact O-CE2 3.29Å; S9-Y35 WeakPolarHBondContact OG-CE2 3.31Å; L13-Y35 HydrophobicContact CB-CD2 3.95Å; L13-Y35 HydrophobicContact CB-CE2 3.88Å; L13-Y35 HydrophobicContact CD1-CD1 4.36Å; L13-Y35 HydrophobicContact CD1-CE1 4.45Å; L13-Y35 HydrophobicContact CD1-CG 4.48Å; L13-Y35 HydrophobicContact CD2-CE2 4.49Å; L31-Y35 WeakPolarHBondContact O-CB 3.47Å; L31-Y35 PolarHBondContact O-N 3.05Å; Y32-Y35 PolarHBondContact O-N 3.09Å; Y35-R37 VanDerWaalsContact C-N 3.33Å; Y35-R37 PolarHBondContact O-N 3.08Å; Y35-Q38 WeakPolarHBondContact O-CB 3.45Å; Y35-Q38 PolarHBondContact O-N 3.5Å; Y35-C39 WeakPolarHBondContact CE1-SG 3.46Å; Y35-C39 PolarHBondContact O-N 3.48Å; Y35-C39 PolarHBondContact O-SG 3.46Å; Y35-C53 WeakPolarHBondContact OH-CB 3.24Å; Y35-D57 HydrophobicContact CE1-CB 4.47Å; Y35-D57 WeakPolarHBondContact OH-CB 3.46Å; Y35-L58 HydrophobicContact CE1-CD1 4.46Å; Y35-A61 HydrophobicContact CD1-CB 3.64Å; Y35-A61 HydrophobicContact CE1-CB 4.04Å |
| 36 | I | 92.8 | Very high | 82.1 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.8 | -46.3 | 179 | -70.4 | 161.5 | 0 | 0 | 0 | 111.3 | Y32 Q38 C39 A40 L58 A61 Y62 | Y32-I36 WeakPolarHBondContact O-CB 3.32Å; Y32-I36 WeakPolarHBondContact O-CD1 3.33Å; Y32-I36 VanDerWaalsContact O-CG1 3.25Å; Y32-I36 WeakPolarHBondContact O-CG1 3.32Å; Y32-I36 PolarHBondContact O-N 3.33Å; I36-Q38 VanDerWaalsContact C-N 3.33Å; I36-Q38 PolarHBondContact O-N 2.89Å; I36-C39 PolarHBondContact O-N 3.38Å; I36-A40 PolarHBondContact O-N 3.45Å; I36-L58 HydrophobicContact CG1-CD1 4.15Å; I36-A61 HydrophobicContact CD1-CB 4.35Å; I36-A61 HydrophobicContact CG1-CB 4.04Å; I36-Y62 HydrophobicContact CD1-CD1 3.63Å; I36-Y62 HydrophobicContact CD1-CE1 3.83Å; I36-Y62 HydrophobicContact CD1-CG 4.16Å; I36-Y62 HydrophobicContact CG1-CD1 4.25Å; I36-Y62 HydrophobicContact CG1-CE1 4.15Å; I36-Y62 HydrophobicContact CG2-CD1 4.48Å; I36-Y62 HydrophobicContact CG2-CE1 3.59Å; I36-Y62 HydrophobicContact CG2-CE2 4.39Å; I36-Y62 WeakPolarHBondContact CG2-OH 3.44Å |
| 37 | R | 90.5 | Very high | 79.8 | Confident | 160 Ų | 160 | 54 Ų | 54 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.3 | -41.3 | 177.2 | -77.3 | -177.5 | -65.4 | -177.5 | 0.9 | 112.1 | S33 A34 Y35 C39 A40 C41 | S33-R37 WeakPolarHBondContact O-CB 3.25Å; S33-R37 VanDerWaalsContact O-CG 3.25Å; S33-R37 WeakPolarHBondContact O-CG 3.42Å; S33-R37 PolarHBondContact O-N 3.29Å; S33-R37 PolarHBondContact O-NE 3.32Å; S33-R37 VanDerWaalsContact O-NE 3.1Å; A34-R37 PolarHBondContact O-N 3.31Å; Y35-R37 VanDerWaalsContact C-N 3.33Å; Y35-R37 PolarHBondContact O-N 3.08Å; R37-C39 VanDerWaalsContact C-N 3.31Å; R37-C39 PolarHBondContact O-N 3.33Å; R37-A40 PolarHBondContact O-N 2.69Å; R37-C41 PolarHBondContact O-N 3.37Å; R37-C41 PolarHBondContact O-SG 2.93Å |
| 38 | Q | 86.6 | Confident | 77.3 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 25% | 0.248 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 177.6 | -173.7 | 179.6 | 14.3 | 0 | 0 | 111.6 | A34 Y35 I36 | A34-Q38 WeakPolarHBondContact O-CB 3.31Å; A34-Q38 PolarHBondContact O-N 2.9Å; Y35-Q38 WeakPolarHBondContact O-CB 3.45Å; Y35-Q38 PolarHBondContact O-N 3.5Å; I36-Q38 VanDerWaalsContact C-N 3.33Å; I36-Q38 PolarHBondContact O-N 2.89Å |
| 39 | C | 83.8 | Confident | 74.8 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 10% | 0.101 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.7 | -42.1 | 176.8 | -53.1 | 0 | 0 | 0 | 0 | 111.9 | Y35 I36 R37 A42 C53 L58 | Y35-C39 WeakPolarHBondContact CE1-SG 3.46Å; Y35-C39 PolarHBondContact O-N 3.48Å; Y35-C39 PolarHBondContact O-SG 3.46Å; I36-C39 PolarHBondContact O-N 3.38Å; R37-C39 VanDerWaalsContact C-N 3.31Å; R37-C39 PolarHBondContact O-N 3.33Å; C39-A42 WeakPolarHBondContact O-CB 3.36Å; C39-A42 PolarHBondContact O-N 2.99Å; C39-C53 VanDerWaalsContact CA-SG 3.54Å; C39-C53 HydrophobicContact CB-CB 3.79Å; C39-C53 WeakPolarHBondContact CB-SG 3.49Å; C39-C53 WeakPolarHBondContact SG-CB 3.41Å; C39-C53 CovalentContact SG-SG 2.03Å; C39-C53 PolarHBondContact SG-SG 2.93Å; C39-L58 HydrophobicContact CB-CD1 3.94Å; C39-L58 HydrophobicContact CB-CD2 4.36Å |
| 40 | A | 75.3 | Confident | 72.4 | Confident | 58 Ų | 58 | 61.3 Ų | 61.3 | 48% | 0.479 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I36 R37 A42 A43 | I36-A40 PolarHBondContact O-N 3.45Å; R37-A40 PolarHBondContact O-N 2.69Å; A40-A42 PolarHBondContact O-N 2.71Å; A40-A43 PolarHBondContact O-N 2.93Å |
| 41 | C | 62.2 | Low | 70.4 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 55% | 0.547 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.9 | -20.1 | 177.8 | -70.9 | 0 | 0 | 0 | 0 | 113.7 | R37 A43 S44 | R37-C41 PolarHBondContact O-N 3.37Å; R37-C41 PolarHBondContact O-SG 2.93Å; C41-A43 VanDerWaalsContact C-N 3.34Å; C41-S44 PolarHBondContact O-OG 2.94Å; C41-S44 VanDerWaalsContact O-OG 3.09Å |
| 42 | A | 56.2 | Low | 68.9 | Low | 12 Ų | 12 | 61.1 Ų | 61.1 | 10% | 0.099 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -73 | -28.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C39 A40 S44 S45 K52 | C39-A42 WeakPolarHBondContact O-CB 3.36Å; C39-A42 PolarHBondContact O-N 2.99Å; A40-A42 PolarHBondContact O-N 2.71Å; A42-S44 VanDerWaalsContact C-N 3.33Å; A42-S44 PolarHBondContact O-N 2.75Å; A42-S45 PolarHBondContact O-OG 3.4Å; A42-K52 HydrophobicContact CB-CD 3.93Å |
| 43 | A | 53 | Low | 67.8 | Low | 82 Ų | 82 | 62.1 Ų | 62.1 | 68% | 0.678 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -72 | -25.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | A40 C41 | A40-A43 PolarHBondContact O-N 2.93Å; C41-A43 VanDerWaalsContact C-N 3.34Å |
| 44 | S | 54.1 | Low | 67.4 | Low | 103 Ų | 103 | 62.9 Ų | 62.9 | 72% | 0.72 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -89.5 | -16.4 | -179.8 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | C41 A42 G46 | C41-S44 PolarHBondContact O-OG 2.94Å; C41-S44 VanDerWaalsContact O-OG 3.09Å; A42-S44 VanDerWaalsContact C-N 3.33Å; A42-S44 PolarHBondContact O-N 2.75Å; S44-G46 VanDerWaalsContact C-N 3.35Å; S44-G46 PolarHBondContact O-N 2.79Å |
| 45 | S | 55.2 | Low | 67.1 | Low | 62 Ų | 62 | 64.6 Ų | 64.6 | 43% | 0.434 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 6.3 | -175.6 | 59 | 0 | 0 | 0 | 0 | 114.8 | A42 E47 | A42-S45 PolarHBondContact O-OG 3.4Å; S45-E47 PolarHBondContact O-N 3.17Å; S45-E47 VanDerWaalsContact O-N 3.14Å |
| 46 | G | 51.5 | Low | 67.1 | Low | 80 Ų | 80 | 69.2 Ų | 69.2 | 83% | 0.825 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 11.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S44 | S44-G46 VanDerWaalsContact C-N 3.35Å; S44-G46 PolarHBondContact O-N 2.79Å |
| 47 | E | 48.9 | Very low | 67.1 | Low | 102 Ų | 102 | 70.9 Ų | 70.9 | 48% | 0.477 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -82.1 | 146.6 | 172.3 | -68.8 | 179.1 | 176.9 | 0 | 0 | 109.3 | S45 K52 | S45-E47 PolarHBondContact O-N 3.17Å; S45-E47 VanDerWaalsContact O-N 3.14Å; E47-K52 IonicContact OE1-NZ 2.71Å; E47-K52 WeakPolarHBondContact OE2-CE 3.48Å; E47-K52 IonicContact OE2-NZ 3.17Å; E47-K52 PolarHBondContact OE2-NZ 2.92Å |
| 48 | S | 45.4 | Very low | 67.2 | Low | 101 Ų | 101 | 64.8 Ų | 64.8 | 71% | 0.706 | 44% | 0.44 | S | S | * | . | trans | -56.4 | 127.2 | -179.1 | -133.5 | 0 | 0 | 0 | 0 | 110.2 | G50 S51 | S48-G50 PolarHBondContact O-N 2.62Å; S48-S51 PolarHBondContact O-N 2.85Å | ||
| 49 | P | 46.5 | Very low | 67.6 | Low | 111 Ų | 111 | 62.2 Ų | 62.2 | 72% | 0.721 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -16.4 | -170 | -21.5 | 29.3 | 0 | 0 | 0 | 114.9 | ||
| 50 | G | 46.8 | Very low | 68.2 | Low | 74 Ų | 74 | 63.6 Ų | 63.6 | 76% | 0.763 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 6.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | S48 | S48-G50 PolarHBondContact O-N 2.62Š|
| 51 | S | 56.3 | Low | 69.2 | Low | 70 Ų | 70 | 60.8 Ų | 60.8 | 49% | 0.49 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -18.1 | -171.3 | -166.5 | 0 | 0 | 0 | 0 | 115.7 | S48 | S48-S51 PolarHBondContact O-N 2.85Š|
| 52 | K | 63.2 | Low | 70.9 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 22% | 0.222 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -37.7 | -171.3 | -67.7 | 179.4 | -171.5 | 163.9 | 0 | 115.5 | S9 A42 E47 | S9-K52 WeakPolarHBondContact CB-O 3.47Å; S9-K52 PolarHBondContact OG-O 3.27Å; A42-K52 HydrophobicContact CB-CD 3.93Å; E47-K52 IonicContact OE1-NZ 2.71Å; E47-K52 WeakPolarHBondContact OE2-CE 3.48Å; E47-K52 IonicContact OE2-NZ 3.17Å; E47-K52 PolarHBondContact OE2-NZ 2.92Å |
| 53 | C | 74.8 | Confident | 72.9 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 14% | 0.142 | 39% | 0.391 | C | S | . | . | trans | -141.5 | 136.8 | -178 | -52.1 | 0 | 0 | 0 | 0 | 109.7 | Y35 C39 | Y35-C53 WeakPolarHBondContact OH-CB 3.24Å; C39-C53 VanDerWaalsContact CA-SG 3.54Å; C39-C53 HydrophobicContact CB-CB 3.79Å; C39-C53 WeakPolarHBondContact CB-SG 3.49Å; C39-C53 WeakPolarHBondContact SG-CB 3.41Å; C39-C53 CovalentContact SG-SG 2.03Å; C39-C53 PolarHBondContact SG-SG 2.93Å | ||
| 54 | S | 86.6 | Confident | 75.1 | Confident | 40 Ų | 40 | 55.2 Ų | 55.2 | 28% | 0.28 | 36% | 0.363 | S | S | . | . | trans | -77.9 | 149.2 | 169 | 67 | 0 | 0 | 0 | 0 | 109.7 | E56 D57 L58 | S54-E56 WeakPolarHBondContact CB-OE2 3.31Å; S54-E56 PolarHBondContact O-N 3.4Å; S54-D57 PolarHBondContact O-N 2.93Å; S54-D57 WeakPolarHBondContact OG-CB 3.5Å; S54-D57 PolarHBondContact OG-N 3.44Å; S54-D57 PolarHBondContact OG-OD2 2.86Å; S54-L58 WeakPolarHBondContact O-CB 3.39Å; S54-L58 PolarHBondContact O-N 3.42Å | ||
| 55 | P | 88.2 | Confident | 77.2 | Confident | 72 Ų | 72 | 52.2 Ų | 52.2 | 47% | 0.468 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -54.4 | -37.5 | 172 | -26.3 | 35.5 | 0 | 0 | 0 | 112.5 | L58 A59 V88 | P55-L58 PolarHBondContact O-N 2.97Å; P55-A59 WeakPolarHBondContact O-CB 3.45Å; P55-A59 PolarHBondContact O-N 3.29Å; P55-V88 HydrophobicContact CB-CG1 4.08Å; P55-V88 WeakPolarHBondContact O-CG1 3.46Å |
| 56 | E | 91.1 | Very high | 79.3 | Confident | 98 Ų | 98 | 49.2 Ų | 49.2 | 46% | 0.458 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 179.2 | -61.2 | 78.1 | -172 | 0 | 0 | 112.1 | S54 L58 T60 | S54-E56 WeakPolarHBondContact CB-OE2 3.31Å; S54-E56 PolarHBondContact O-N 3.4Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-T60 WeakPolarHBondContact O-CB 3.43Å; E56-T60 PolarHBondContact O-N 2.72Å; E56-T60 PolarHBondContact O-OG1 2.81Å |
| 57 | D | 92.3 | Very high | 81.5 | Confident | 43 Ų | 43 | 47.8 Ų | 47.8 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 177.6 | -79.1 | -1.5 | 0 | 0 | 0 | 110.9 | H10 L13 Y35 S54 T60 A61 | H10-D57 IonicContact ND1-OD2 3.68Å; L13-D57 HydrophobicContact CD2-CB 3.56Å; L13-D57 VanDerWaalsContact CD2-CG 3.46Å; Y35-D57 HydrophobicContact CE1-CB 4.47Å; Y35-D57 WeakPolarHBondContact OH-CB 3.46Å; S54-D57 PolarHBondContact O-N 2.93Å; S54-D57 WeakPolarHBondContact OG-CB 3.5Å; S54-D57 PolarHBondContact OG-N 3.44Å; S54-D57 PolarHBondContact OG-OD2 2.86Å; D57-T60 PolarHBondContact O-N 3.2Å; D57-A61 WeakPolarHBondContact O-CB 3.46Å; D57-A61 PolarHBondContact O-N 3.03Å |
| 58 | L | 93.3 | Very high | 83.9 | Confident | 31 Ų | 31 | 43.1 Ų | 43.1 | 16% | 0.162 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 178 | -178.1 | 59.1 | 0 | 0 | 0 | 111.9 | Y35 I36 C39 S54 P55 E56 T60 A61 Y62 V88 | Y35-L58 HydrophobicContact CE1-CD1 4.46Å; I36-L58 HydrophobicContact CG1-CD1 4.15Å; C39-L58 HydrophobicContact CB-CD1 3.94Å; C39-L58 HydrophobicContact CB-CD2 4.36Å; S54-L58 WeakPolarHBondContact O-CB 3.39Å; S54-L58 PolarHBondContact O-N 3.42Å; P55-L58 PolarHBondContact O-N 2.97Å; E56-L58 VanDerWaalsContact C-N 3.34Å; L58-T60 VanDerWaalsContact C-N 3.31Å; L58-T60 PolarHBondContact O-N 2.95Å; L58-A61 PolarHBondContact O-N 3.43Å; L58-Y62 HydrophobicContact CD1-CD2 4.05Å; L58-Y62 HydrophobicContact CD1-CE2 3.67Å; L58-Y62 HydrophobicContact CD2-CE2 4.34Å; L58-Y62 HydrophobicContact CG-CD2 4.04Å; L58-Y62 HydrophobicContact CG-CE2 3.78Å; L58-Y62 VanDerWaalsContact O-CD2 3.25Å; L58-Y62 WeakPolarHBondContact O-CD2 3.33Å; L58-Y62 PolarHBondContact O-N 3.48Å; L58-V88 HydrophobicContact CB-CG1 4.24Å; L58-V88 HydrophobicContact CD2-CG1 4.24Å; L58-V88 HydrophobicContact CD2-CG2 4.04Å; L58-V88 HydrophobicContact CG-CG1 4.29Å; L58-V88 HydrophobicContact CG-CG2 4.27Å |
| 59 | A | 95.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -40 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P55 Y62 N63 A85 V88 Q89 F92 | P55-A59 WeakPolarHBondContact O-CB 3.45Å; P55-A59 PolarHBondContact O-N 3.29Å; A59-Y62 PolarHBondContact O-N 3.3Å; A59-N63 WeakPolarHBondContact O-CB 3.42Å; A59-N63 PolarHBondContact O-N 3.34Å; A59-A85 WeakPolarHBondContact O-CB 3.43Å; A59-V88 HydrophobicContact CB-CB 4.27Å; A59-V88 HydrophobicContact CB-CG1 4.05Å; A59-Q89 HydrophobicContact CB-CB 3.56Å; A59-F92 HydrophobicContact CB-CD1 4.01Å |
| 60 | T | 95.7 | Very high | 88.9 | Confident | 43 Ų | 43 | 36.1 Ų | 36.1 | 26% | 0.264 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.3 | -44 | 174.6 | -60 | 0 | 0 | 0 | 0 | 112 | E56 D57 L58 N63 N64 | E56-T60 WeakPolarHBondContact O-CB 3.43Å; E56-T60 PolarHBondContact O-N 2.72Å; E56-T60 PolarHBondContact O-OG1 2.81Å; D57-T60 PolarHBondContact O-N 3.2Å; L58-T60 VanDerWaalsContact C-N 3.31Å; L58-T60 PolarHBondContact O-N 2.95Å; T60-N63 PolarHBondContact O-N 3.02Å; T60-N64 WeakPolarHBondContact O-CB 3.3Å; T60-N64 VanDerWaalsContact O-CG 3.28Å; T60-N64 PolarHBondContact O-N 2.74Å |
| 61 | A | 96.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L13 Y32 Y35 I36 D57 L58 R65 | L13-A61 HydrophobicContact CD1-CB 3.95Å; Y32-A61 HydrophobicContact CD1-CB 3.88Å; Y35-A61 HydrophobicContact CD1-CB 3.64Å; Y35-A61 HydrophobicContact CE1-CB 4.04Å; I36-A61 HydrophobicContact CD1-CB 4.35Å; I36-A61 HydrophobicContact CG1-CB 4.04Å; D57-A61 WeakPolarHBondContact O-CB 3.46Å; D57-A61 PolarHBondContact O-N 3.03Å; L58-A61 PolarHBondContact O-N 3.43Å; A61-R65 WeakPolarHBondContact O-CB 3.47Å; A61-R65 PolarHBondContact O-N 3.35Å |
| 62 | Y | 98.3 | Very high | 93.2 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 15% | 0.149 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.2 | -49.6 | 173.4 | -81.8 | -59.6 | 0 | 0 | 0 | 111.5 | I36 L58 A59 N64 R65 G66 D81 V88 | I36-Y62 HydrophobicContact CD1-CD1 3.63Å; I36-Y62 HydrophobicContact CD1-CE1 3.83Å; I36-Y62 HydrophobicContact CD1-CG 4.16Å; I36-Y62 HydrophobicContact CG1-CD1 4.25Å; I36-Y62 HydrophobicContact CG1-CE1 4.15Å; I36-Y62 HydrophobicContact CG2-CD1 4.48Å; I36-Y62 HydrophobicContact CG2-CE1 3.59Å; I36-Y62 HydrophobicContact CG2-CE2 4.39Å; I36-Y62 WeakPolarHBondContact CG2-OH 3.44Å; L58-Y62 HydrophobicContact CD1-CD2 4.05Å; L58-Y62 HydrophobicContact CD1-CE2 3.67Å; L58-Y62 HydrophobicContact CD2-CE2 4.34Å; L58-Y62 HydrophobicContact CG-CD2 4.04Å; L58-Y62 HydrophobicContact CG-CE2 3.78Å; L58-Y62 VanDerWaalsContact O-CD2 3.25Å; L58-Y62 WeakPolarHBondContact O-CD2 3.33Å; L58-Y62 PolarHBondContact O-N 3.48Å; A59-Y62 PolarHBondContact O-N 3.3Å; Y62-N64 PolarHBondContact O-N 2.87Å; Y62-R65 PolarHBondContact O-N 2.93Å; Y62-G66 PolarHBondContact O-N 3.3Å; Y62-D81 WeakPolarHBondContact CD1-OD1 3.49Å; Y62-V88 HydrophobicContact CD2-CG2 4.36Å; Y62-V88 HydrophobicContact CE2-CG2 4.15Å |
| 63 | N | 98.6 | Very high | 94.9 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.032 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.8 | -48.7 | 178.4 | 176.6 | 74.1 | 0 | 0 | 0 | 112.4 | A59 T60 G66 Q67 Y82 F92 P95 N98 | A59-N63 WeakPolarHBondContact O-CB 3.42Å; A59-N63 PolarHBondContact O-N 3.34Å; T60-N63 PolarHBondContact O-N 3.02Å; N63-G66 PolarHBondContact O-N 3.37Å; N63-Q67 PolarHBondContact O-N 3.33Å; N63-Y82 WeakPolarHBondContact O-CE1 3.37Å; N63-F92 HydrophobicContact CB-CE1 3.77Å; N63-F92 HydrophobicContact CB-CZ 4.26Å; N63-P95 HydrophobicContact CB-CG 4.14Å; N63-N98 PolarHBondContact OD1-ND2 3.01Å; N63-N98 VanDerWaalsContact OD1-ND2 3.07Å |
| 64 | N | 98.4 | Very high | 96 | Very high | 14 Ų | 14 | 44 Ų | 44 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.5 | -35.6 | -175.4 | -66.4 | -6.9 | 0 | 0 | 0 | 111.7 | Q17 Y32 T60 Y62 Q67 I68 | Q17-N64 PolarHBondContact OE1-ND2 2.94Å; Y32-N64 HydrophobicContact CD2-CB 4.28Å; Y32-N64 HydrophobicContact CE1-CB 3.96Å; Y32-N64 HydrophobicContact CE2-CB 3.59Å; Y32-N64 VanDerWaalsContact CZ-CB 3.41Å; Y32-N64 WeakPolarHBondContact OH-CB 3.45Å; Y32-N64 PolarHBondContact OH-ND2 2.96Å; T60-N64 WeakPolarHBondContact O-CB 3.3Å; T60-N64 VanDerWaalsContact O-CG 3.28Å; T60-N64 PolarHBondContact O-N 2.74Å; Y62-N64 PolarHBondContact O-N 2.87Å; N64-Q67 PolarHBondContact O-N 2.86Å; N64-I68 WeakPolarHBondContact O-CG1 3.43Å; N64-I68 PolarHBondContact O-N 3.43Å; N64-I68 VanDerWaalsContact O-N 3.1Å |
| 65 | R | 98.6 | Very high | 96.5 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 15% | 0.147 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 170.6 | -170.7 | 176.2 | 70.9 | 178.9 | -2 | 111.6 | E29 S33 A61 Y62 Q67 I68 K69 D81 | E29-R65 HydrophobicContact CG-CG 4.21Å; S33-R65 WeakPolarHBondContact OG-CD 3.45Å; S33-R65 PolarHBondContact OG-NH1 3.09Å; S33-R65 VanDerWaalsContact OG-NH1 3.13Å; A61-R65 WeakPolarHBondContact O-CB 3.47Å; A61-R65 PolarHBondContact O-N 3.35Å; Y62-R65 PolarHBondContact O-N 2.93Å; R65-Q67 VanDerWaalsContact C-N 3.27Å; R65-Q67 PolarHBondContact O-N 3.4Å; R65-I68 WeakPolarHBondContact O-CB 3.46Å; R65-I68 PolarHBondContact O-N 3.41Å; R65-K69 PolarHBondContact O-N 3.49Å; R65-K69 VanDerWaalsContact O-N 3.11Å; R65-D81 WeakPolarHBondContact CG-OD2 3.45Å; R65-D81 IonicContact CZ-OD1 3.91Å; R65-D81 IonicContact CZ-OD2 3.97Å; R65-D81 VanDerWaalsContact NE-CG 3.33Å; R65-D81 IonicContact NE-OD1 3.18Å; R65-D81 PolarHBondContact NE-OD1 2.94Å; R65-D81 IonicContact NE-OD2 3.18Å; R65-D81 PolarHBondContact NE-OD2 3.24Å; R65-D81 IonicContact NH2-OD1 2.56Å; R65-D81 PolarHBondContact NH2-OD1 3.26Å; R65-D81 IonicContact NH2-OD2 2.97Å |
| 66 | G | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.7 | -39.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y62 N63 I68 K69 Y70 A78 Y82 | Y62-G66 PolarHBondContact O-N 3.3Å; N63-G66 PolarHBondContact O-N 3.37Å; G66-I68 PolarHBondContact O-N 2.98Å; G66-K69 PolarHBondContact O-N 2.87Å; G66-Y70 WeakPolarHBondContact O-CB 3.12Å; G66-Y70 PolarHBondContact O-N 3.45Å; G66-A78 VanDerWaalsContact O-CB 3.28Å; G66-A78 WeakPolarHBondContact O-CB 3.47Å; G66-Y82 VanDerWaalsContact C-OH 3.3Å; G66-Y82 PolarHBondContact O-OH 3.33Å |
| 67 | Q | 98.7 | Very high | 97.3 | Very high | 50 Ų | 50 | 47.3 Ų | 47.3 | 23% | 0.234 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -38.4 | 176.4 | -167.8 | 172.9 | 20.5 | 0 | 0 | 113.2 | F20 N63 N64 R65 Y70 F71 Y82 | F20-Q67 HydrophobicContact CE2-CB 4.38Å; F20-Q67 HydrophobicContact CE2-CG 4.46Å; F20-Q67 HydrophobicContact CZ-CB 4.45Å; F20-Q67 HydrophobicContact CZ-CG 4.15Å; N63-Q67 PolarHBondContact O-N 3.33Å; N64-Q67 PolarHBondContact O-N 2.86Å; R65-Q67 VanDerWaalsContact C-N 3.27Å; R65-Q67 PolarHBondContact O-N 3.4Å; Q67-Y70 WeakPolarHBondContact O-CB 3.45Å; Q67-Y70 PolarHBondContact O-N 2.93Å; Q67-F71 HydrophobicContact CG-CE1 4.15Å; Q67-F71 HydrophobicContact CG-CE2 3.85Å; Q67-F71 HydrophobicContact CG-CZ 3.63Å; Q67-F71 WeakPolarHBondContact O-CD2 3.26Å; Q67-F71 WeakPolarHBondContact O-CG 3.44Å; Q67-F71 PolarHBondContact O-N 2.99Å; Q67-Y82 WeakPolarHBondContact CA-OH 3.34Å; Q67-Y82 PolarHBondContact N-OH 2.92Å |
| 68 | I | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.2 | -48.3 | 173.4 | -65.9 | 165.6 | 0 | 0 | 0 | 110.6 | F20 Y25 A28 E29 Y32 N64 R65 G66 Y70 F71 R72 | F20-I68 HydrophobicContact CD2-CD1 3.99Å; F20-I68 HydrophobicContact CD2-CG1 3.81Å; F20-I68 HydrophobicContact CE2-CD1 4.43Å; F20-I68 HydrophobicContact CE2-CG1 3.78Å; Y25-I68 HydrophobicContact CD1-CG1 3.97Å; Y25-I68 HydrophobicContact CG-CG1 4.44Å; A28-I68 HydrophobicContact CB-CD1 3.76Å; E29-I68 HydrophobicContact CB-CD1 3.93Å; E29-I68 HydrophobicContact CB-CG2 4.11Å; Y32-I68 HydrophobicContact CD2-CD1 3.97Å; Y32-I68 HydrophobicContact CE2-CD1 4.12Å; N64-I68 WeakPolarHBondContact O-CG1 3.43Å; N64-I68 PolarHBondContact O-N 3.43Å; N64-I68 VanDerWaalsContact O-N 3.1Å; R65-I68 WeakPolarHBondContact O-CB 3.46Å; R65-I68 PolarHBondContact O-N 3.41Å; G66-I68 PolarHBondContact O-N 2.98Å; I68-Y70 VanDerWaalsContact C-N 3.3Å; I68-Y70 PolarHBondContact O-N 3.1Å; I68-F71 WeakPolarHBondContact O-CB 3.28Å; I68-F71 PolarHBondContact O-N 3.29Å; I68-F71 VanDerWaalsContact O-N 3.13Å; I68-R72 PolarHBondContact O-N 3.11Å; I68-R72 VanDerWaalsContact O-N 3.16Å |
| 69 | K | 98.6 | Very high | 97.9 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.5 | -39.3 | 177.2 | -73.1 | 169.2 | 167.6 | 176.9 | 0 | 112.2 | R65 G66 F71 R72 V73 D74 E77 A78 D81 | R65-K69 PolarHBondContact O-N 3.49Å; R65-K69 VanDerWaalsContact O-N 3.11Å; G66-K69 PolarHBondContact O-N 2.87Å; K69-F71 VanDerWaalsContact C-N 3.35Å; K69-F71 PolarHBondContact O-N 3.42Å; K69-R72 CarbonylContact O-C 3.6Å; K69-R72 WeakPolarHBondContact O-CA 3.47Å; K69-R72 WeakPolarHBondContact O-CB 3.45Å; K69-R72 PolarHBondContact O-N 2.85Å; K69-R72 VanDerWaalsContact O-N 3.07Å; K69-V73 PolarHBondContact O-N 3.36Å; K69-V73 VanDerWaalsContact O-N 3.1Å; K69-D74 HydrophobicContact CB-CB 4.16Å; K69-D74 PolarHBondContact O-N 3.42Å; K69-E77 HydrophobicContact CD-CB 3.72Å; K69-E77 PolarHBondContact NZ-O 3.07Å; K69-A78 HydrophobicContact CB-CB 3.88Å; K69-D81 VanDerWaalsContact CD-OD2 3.3Å; K69-D81 WeakPolarHBondContact CD-OD2 3.38Å; K69-D81 WeakPolarHBondContact CE-OD2 3.25Å; K69-D81 IonicContact NZ-OD1 2.96Å; K69-D81 IonicContact NZ-OD2 2.94Å; K69-D81 PolarHBondContact NZ-OD2 3.43Å |
| 70 | Y | 98.4 | Very high | 98.1 | Very high | 45 Ų | 45 | 50.2 Ų | 50.2 | 18% | 0.176 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59 | -43.5 | 172.7 | 170.9 | -94.3 | 0 | 0 | 0 | 112.1 | G66 Q67 I68 R72 V73 F75 I102 R105 | G66-Y70 WeakPolarHBondContact O-CB 3.12Å; G66-Y70 PolarHBondContact O-N 3.45Å; Q67-Y70 WeakPolarHBondContact O-CB 3.45Å; Q67-Y70 PolarHBondContact O-N 2.93Å; I68-Y70 VanDerWaalsContact C-N 3.3Å; I68-Y70 PolarHBondContact O-N 3.1Å; Y70-R72 PolarHBondContact O-N 3.48Å; Y70-V73 PolarHBondContact O-N 3.41Å; Y70-F75 AromaticContact CD2-CD1 3.96Å; Y70-F75 HydrophobicContact CD2-CD1 3.96Å; Y70-F75 AromaticContact CD2-CE1 3.71Å; Y70-F75 HydrophobicContact CD2-CE1 3.71Å; Y70-F75 HydrophobicContact CE2-CD1 4.36Å; Y70-F75 AromaticContact CE2-CE1 3.74Å; Y70-F75 HydrophobicContact CE2-CE1 3.74Å; Y70-I102 HydrophobicContact CD2-CD1 3.85Å; Y70-I102 HydrophobicContact CD2-CG1 3.58Å; Y70-I102 HydrophobicContact CE2-CG1 3.92Å; Y70-R105 VanDerWaalsContact OH-CZ 3.27Å; Y70-R105 PolarHBondContact OH-NE 3.1Å; Y70-R105 PolarHBondContact OH-NH2 3Å |
| 71 | F | 97 | Very high | 98.2 | Very high | 93 Ų | 93 | 48.2 Ų | 48.2 | 41% | 0.408 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.1 | -27.2 | 175.4 | -63.6 | -30.8 | 0 | 0 | 0 | 113 | F20 Y25 Q67 I68 K69 V73 | F20-F71 HydrophobicContact CE2-CE2 4.46Å; F20-F71 HydrophobicContact CZ-CE2 4.22Å; Y25-F71 HydrophobicContact CD1-CD2 4.49Å; Y25-F71 HydrophobicContact CE1-CD2 4Å; Y25-F71 AromaticContact CE1-CE2 3.92Å; Y25-F71 HydrophobicContact CE1-CE2 3.92Å; Y25-F71 HydrophobicContact CE2-CD2 4.02Å; Y25-F71 HydrophobicContact CE2-CE2 4.46Å; Y25-F71 AromaticContact CZ-CD2 3.74Å; Y25-F71 AromaticContact CZ-CE2 3.75Å; Q67-F71 HydrophobicContact CG-CE1 4.15Å; Q67-F71 HydrophobicContact CG-CE2 3.85Å; Q67-F71 HydrophobicContact CG-CZ 3.63Å; Q67-F71 WeakPolarHBondContact O-CD2 3.26Å; Q67-F71 WeakPolarHBondContact O-CG 3.44Å; Q67-F71 PolarHBondContact O-N 2.99Å; I68-F71 WeakPolarHBondContact O-CB 3.28Å; I68-F71 PolarHBondContact O-N 3.29Å; I68-F71 VanDerWaalsContact O-N 3.13Å; K69-F71 VanDerWaalsContact C-N 3.35Å; K69-F71 PolarHBondContact O-N 3.42Å; F71-V73 VanDerWaalsContact C-N 3.33Å |
| 72 | R | 96.9 | Very high | 98.3 | Very high | 143 Ų | 143 | 48.3 Ų | 48.3 | 54% | 0.54 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -0 | 171.4 | -101.8 | 171.7 | 51.9 | -170 | -4.4 | 114.6 | E29 I68 K69 Y70 D74 | E29-R72 IonicContact OE1-NH1 2.59Å; E29-R72 IonicContact OE2-NH1 3.97Å; E29-R72 PolarHBondContact OE2-NH1 3.09Å; I68-R72 PolarHBondContact O-N 3.11Å; I68-R72 VanDerWaalsContact O-N 3.16Å; K69-R72 CarbonylContact O-C 3.6Å; K69-R72 WeakPolarHBondContact O-CA 3.47Å; K69-R72 WeakPolarHBondContact O-CB 3.45Å; K69-R72 PolarHBondContact O-N 2.85Å; K69-R72 VanDerWaalsContact O-N 3.07Å; Y70-R72 PolarHBondContact O-N 3.48Å; R72-D74 WeakPolarHBondContact CB-OD2 3.44Å; R72-D74 IonicContact CZ-OD2 2.62Å; R72-D74 IonicContact NE-OD2 3.54Å; R72-D74 PolarHBondContact NE-OD2 2.78Å; R72-D74 IonicContact NH2-OD2 3.62Å; R72-D74 PolarHBondContact NH2-OD2 3.27Å; R72-D74 PolarHBondContact O-N 3.38Å |
| 73 | V | 97.1 | Very high | 98.3 | Very high | 93 Ų | 93 | 48.5 Ų | 48.5 | 56% | 0.564 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67 | 17.8 | -177.3 | -158 | 0 | 0 | 0 | 0 | 112.7 | K69 Y70 F71 F75 | K69-V73 PolarHBondContact O-N 3.36Å; K69-V73 VanDerWaalsContact O-N 3.1Å; Y70-V73 PolarHBondContact O-N 3.41Å; F71-V73 VanDerWaalsContact C-N 3.33Å; V73-F75 HydrophobicContact CG1-CD2 4.1Å; V73-F75 HydrophobicContact CG1-CE1 4.14Å; V73-F75 HydrophobicContact CG1-CE2 3.52Å; V73-F75 HydrophobicContact CG1-CZ 3.54Å; V73-F75 PolarHBondContact O-N 3.2Å |
| 74 | D | 98.1 | Very high | 98.3 | Very high | 51 Ų | 51 | 49.8 Ų | 49.8 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | trans | -81.1 | 63.1 | 175 | -64.9 | -36 | 0 | 0 | 0 | 109.7 | K69 R72 Y76 E77 A78 | K69-D74 HydrophobicContact CB-CB 4.16Å; K69-D74 PolarHBondContact O-N 3.42Å; R72-D74 WeakPolarHBondContact CB-OD2 3.44Å; R72-D74 IonicContact CZ-OD2 2.62Å; R72-D74 IonicContact NE-OD2 3.54Å; R72-D74 PolarHBondContact NE-OD2 2.78Å; R72-D74 IonicContact NH2-OD2 3.62Å; R72-D74 PolarHBondContact NH2-OD2 3.27Å; R72-D74 PolarHBondContact O-N 3.38Å; D74-Y76 PolarHBondContact O-N 3.46Å; D74-E77 HydrophobicContact CB-CB 4.5Å; D74-E77 PolarHBondContact O-N 3.28Å; D74-A78 WeakPolarHBondContact O-CB 3.29Å; D74-A78 PolarHBondContact O-N 3.16Å | ||
| 75 | F | 98.1 | Very high | 98.3 | Very high | 39 Ų | 39 | 49.1 Ų | 49.1 | 17% | 0.171 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -43.8 | -165.2 | -72.5 | -36.3 | 0 | 0 | 0 | 114.5 | Y70 V73 A78 M79 I102 L106 | Y70-F75 AromaticContact CD2-CD1 3.96Å; Y70-F75 HydrophobicContact CD2-CD1 3.96Å; Y70-F75 AromaticContact CD2-CE1 3.71Å; Y70-F75 HydrophobicContact CD2-CE1 3.71Å; Y70-F75 HydrophobicContact CE2-CD1 4.36Å; Y70-F75 AromaticContact CE2-CE1 3.74Å; Y70-F75 HydrophobicContact CE2-CE1 3.74Å; V73-F75 HydrophobicContact CG1-CD2 4.1Å; V73-F75 HydrophobicContact CG1-CE1 4.14Å; V73-F75 HydrophobicContact CG1-CE2 3.52Å; V73-F75 HydrophobicContact CG1-CZ 3.54Å; V73-F75 PolarHBondContact O-N 3.2Å; F75-A78 PolarHBondContact O-N 3.13Å; F75-M79 VanDerWaalsContact O-CG 3.29Å; F75-M79 WeakPolarHBondContact O-CG 3.35Å; F75-M79 PolarHBondContact O-N 2.96Å; F75-I102 HydrophobicContact CB-CG2 3.64Å; F75-I102 HydrophobicContact CD1-CD1 4.14Å; F75-I102 HydrophobicContact CD1-CG1 3.91Å; F75-I102 HydrophobicContact CD1-CG2 3.99Å; F75-I102 HydrophobicContact CE1-CG1 4.47Å; F75-I102 HydrophobicContact CG-CG2 3.88Å; F75-L106 HydrophobicContact CD2-CD2 4.02Å |
| 76 | Y | 98.2 | Very high | 98.3 | Very high | 149 Ų | 149 | 48.1 Ų | 48.1 | 58% | 0.584 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -65.9 | -44.7 | -179.6 | -65.7 | -72.7 | 0 | 0 | 0 | 111.6 | D74 A78 M79 D80 L106 | D74-Y76 PolarHBondContact O-N 3.46Å; Y76-A78 VanDerWaalsContact C-N 3.28Å; Y76-A78 PolarHBondContact O-N 2.86Å; Y76-M79 WeakPolarHBondContact O-CB 3.35Å; Y76-M79 PolarHBondContact O-N 3.48Å; Y76-M79 VanDerWaalsContact O-N 3.14Å; Y76-D80 PolarHBondContact O-N 3.49Å; Y76-L106 HydrophobicContact CE1-CD1 4.44Å |
| 77 | E | 98.3 | Very high | 98.2 | Very high | 93 Ų | 93 | 55.1 Ų | 55.1 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.9 | -31.2 | 178 | -59.9 | -172.9 | 173.1 | 0 | 0 | 112.5 | K69 D74 D81 | K69-E77 HydrophobicContact CD-CB 3.72Å; K69-E77 PolarHBondContact NZ-O 3.07Å; D74-E77 HydrophobicContact CB-CB 4.5Å; D74-E77 PolarHBondContact O-N 3.28Å; E77-D81 PolarHBondContact O-N 3.29Å |
| 78 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G66 K69 D74 F75 Y76 D80 D81 Y82 I102 | G66-A78 VanDerWaalsContact O-CB 3.28Å; G66-A78 WeakPolarHBondContact O-CB 3.47Å; K69-A78 HydrophobicContact CB-CB 3.88Å; D74-A78 WeakPolarHBondContact O-CB 3.29Å; D74-A78 PolarHBondContact O-N 3.16Å; F75-A78 PolarHBondContact O-N 3.13Å; Y76-A78 VanDerWaalsContact C-N 3.28Å; Y76-A78 PolarHBondContact O-N 2.86Å; A78-D80 VanDerWaalsContact C-N 3.34Å; A78-D80 PolarHBondContact O-N 3.31Å; A78-D81 WeakPolarHBondContact O-CB 3.29Å; A78-D81 PolarHBondContact O-N 3.02Å; A78-Y82 HydrophobicContact CB-CE2 4.11Å; A78-Y82 WeakPolarHBondContact O-CD2 3.43Å; A78-Y82 VanDerWaalsContact O-CG 3.32Å; A78-Y82 PolarHBondContact O-N 3.1Å; A78-I102 HydrophobicContact CB-CD1 3.66Å |
| 79 | M | 98.7 | Very high | 97.9 | Very high | 32 Ų | 32 | 56.5 Ų | 56.5 | 16% | 0.158 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 175.4 | -71.2 | -179.2 | 60.8 | 0 | 0 | 112.7 | F75 Y76 D81 Y82 T83 R99 I102 L103 L106 | F75-M79 VanDerWaalsContact O-CG 3.29Å; F75-M79 WeakPolarHBondContact O-CG 3.35Å; F75-M79 PolarHBondContact O-N 2.96Å; Y76-M79 WeakPolarHBondContact O-CB 3.35Å; Y76-M79 PolarHBondContact O-N 3.48Å; Y76-M79 VanDerWaalsContact O-N 3.14Å; M79-D81 VanDerWaalsContact C-N 3.31Å; M79-Y82 PolarHBondContact O-N 3.09Å; M79-T83 VanDerWaalsContact O-CB 3.31Å; M79-T83 WeakPolarHBondContact O-CB 3.25Å; M79-T83 PolarHBondContact O-N 3.07Å; M79-T83 PolarHBondContact O-OG1 3Å; M79-R99 HydrophobicContact CB-CG 4.43Å; M79-R99 HydrophobicContact CE-CG 4.07Å; M79-R99 HydrophobicContact CG-CG 4.08Å; M79-I102 HydrophobicContact CG-CB 4.09Å; M79-I102 HydrophobicContact CG-CD1 3.93Å; M79-I102 HydrophobicContact CG-CG2 3.73Å; M79-I102 HydrophobicContact SD-CB 4.31Å; M79-I102 HydrophobicContact SD-CG2 3.56Å; M79-I102 VanDerWaalsContact SD-CG2 3.56Å; M79-L103 HydrophobicContact CE-CD1 4.46Å; M79-L103 HydrophobicContact CE-CD2 3.45Å; M79-L103 VanDerWaalsContact CE-CD2 3.45Å; M79-L103 HydrophobicContact CE-CG 3.87Å; M79-L103 HydrophobicContact SD-CD2 4.27Å; M79-L103 HydrophobicContact SD-CG 4.5Å; M79-L106 HydrophobicContact SD-CD1 4.39Å |
| 80 | D | 98.7 | Very high | 97.9 | Very high | 102 Ų | 102 | 59.1 Ų | 59.1 | 55% | 0.545 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 174.2 | -68 | -22 | 0 | 0 | 0 | 111.2 | Y76 A78 T83 S84 | Y76-D80 PolarHBondContact O-N 3.49Å; A78-D80 VanDerWaalsContact C-N 3.34Å; A78-D80 PolarHBondContact O-N 3.31Å; D80-T83 PolarHBondContact O-N 3.28Å; D80-S84 WeakPolarHBondContact O-CB 3.4Å; D80-S84 PolarHBondContact O-N 3.18Å; D80-S84 PolarHBondContact O-OG 3.21Å |
| 81 | D | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.011 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 175.8 | -87.6 | -30.2 | 0 | 0 | 0 | 112.1 | Y62 R65 K69 E77 A78 M79 T83 S84 A85 | Y62-D81 WeakPolarHBondContact CD1-OD1 3.49Å; R65-D81 WeakPolarHBondContact CG-OD2 3.45Å; R65-D81 IonicContact CZ-OD1 3.91Å; R65-D81 IonicContact CZ-OD2 3.97Å; R65-D81 VanDerWaalsContact NE-CG 3.33Å; R65-D81 IonicContact NE-OD1 3.18Å; R65-D81 PolarHBondContact NE-OD1 2.94Å; R65-D81 IonicContact NE-OD2 3.18Å; R65-D81 PolarHBondContact NE-OD2 3.24Å; R65-D81 IonicContact NH2-OD1 2.56Å; R65-D81 PolarHBondContact NH2-OD1 3.26Å; R65-D81 IonicContact NH2-OD2 2.97Å; K69-D81 VanDerWaalsContact CD-OD2 3.3Å; K69-D81 WeakPolarHBondContact CD-OD2 3.38Å; K69-D81 WeakPolarHBondContact CE-OD2 3.25Å; K69-D81 IonicContact NZ-OD1 2.96Å; K69-D81 IonicContact NZ-OD2 2.94Å; K69-D81 PolarHBondContact NZ-OD2 3.43Å; E77-D81 PolarHBondContact O-N 3.29Å; A78-D81 WeakPolarHBondContact O-CB 3.29Å; A78-D81 PolarHBondContact O-N 3.02Å; M79-D81 VanDerWaalsContact C-N 3.31Å; D81-T83 VanDerWaalsContact C-N 3.3Å; D81-T83 PolarHBondContact O-N 3.37Å; D81-S84 PolarHBondContact O-N 3.32Å; D81-A85 PolarHBondContact O-N 3.47Å |
| 82 | Y | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 175.8 | -61.6 | -41.5 | 0 | 0 | 0 | 112.3 | N63 G66 Q67 A78 M79 A85 I86 P95 N98 R99 I102 | N63-Y82 WeakPolarHBondContact O-CE1 3.37Å; G66-Y82 VanDerWaalsContact C-OH 3.3Å; G66-Y82 PolarHBondContact O-OH 3.33Å; Q67-Y82 WeakPolarHBondContact CA-OH 3.34Å; Q67-Y82 PolarHBondContact N-OH 2.92Å; A78-Y82 HydrophobicContact CB-CE2 4.11Å; A78-Y82 WeakPolarHBondContact O-CD2 3.43Å; A78-Y82 VanDerWaalsContact O-CG 3.32Å; A78-Y82 PolarHBondContact O-N 3.1Å; M79-Y82 PolarHBondContact O-N 3.09Å; Y82-A85 WeakPolarHBondContact O-CB 3.41Å; Y82-A85 PolarHBondContact O-N 3.41Å; Y82-I86 WeakPolarHBondContact O-CD1 3.36Å; Y82-I86 VanDerWaalsContact O-CG1 3.24Å; Y82-I86 WeakPolarHBondContact O-CG1 3.25Å; Y82-I86 PolarHBondContact O-N 3.02Å; Y82-P95 HydrophobicContact CD1-CB 4.39Å; Y82-N98 HydrophobicContact CD1-CB 4.04Å; Y82-N98 HydrophobicContact CD2-CB 3.96Å; Y82-N98 HydrophobicContact CE1-CB 3.58Å; Y82-N98 HydrophobicContact CE2-CB 3.48Å; Y82-N98 VanDerWaalsContact CE2-CB 3.48Å; Y82-N98 HydrophobicContact CG-CB 4.23Å; Y82-R99 HydrophobicContact CD2-CB 4.04Å; Y82-R99 HydrophobicContact CG-CB 4.36Å; Y82-I102 HydrophobicContact CD2-CD1 4.19Å; Y82-I102 HydrophobicContact CE2-CD1 3.72Å |
| 83 | T | 98.8 | Very high | 98 | Very high | 42 Ų | 42 | 54.5 Ų | 54.5 | 26% | 0.258 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 175.8 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | M79 D80 D81 A85 I86 E87 R99 | M79-T83 VanDerWaalsContact O-CB 3.31Å; M79-T83 WeakPolarHBondContact O-CB 3.25Å; M79-T83 PolarHBondContact O-N 3.07Å; M79-T83 PolarHBondContact O-OG1 3Å; D80-T83 PolarHBondContact O-N 3.28Å; D81-T83 VanDerWaalsContact C-N 3.3Å; D81-T83 PolarHBondContact O-N 3.37Å; T83-A85 VanDerWaalsContact C-N 3.32Å; T83-A85 PolarHBondContact O-N 3.47Å; T83-I86 WeakPolarHBondContact O-CB 3.25Å; T83-I86 PolarHBondContact O-N 2.9Å; T83-I86 VanDerWaalsContact O-N 3.17Å; T83-E87 WeakPolarHBondContact O-CG 3.45Å; T83-E87 PolarHBondContact O-N 3.42Å; T83-R99 PolarHBondContact OG1-NH1 3.1Å |
| 84 | S | 98.3 | Very high | 98.1 | Very high | 34 Ų | 34 | 52.1 Ų | 52.1 | 24% | 0.238 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 174.3 | -57.2 | 0 | 0 | 0 | 0 | 112 | D80 D81 E87 V88 | D80-S84 WeakPolarHBondContact O-CB 3.4Å; D80-S84 PolarHBondContact O-N 3.18Å; D80-S84 PolarHBondContact O-OG 3.21Å; D81-S84 PolarHBondContact O-N 3.32Å; S84-E87 PolarHBondContact O-N 3.41Å; S84-V88 VanDerWaalsContact O-CG2 3.29Å; S84-V88 WeakPolarHBondContact O-CG2 3.25Å; S84-V88 PolarHBondContact O-N 3.42Å; S84-V88 VanDerWaalsContact O-N 3.1Å |
| 85 | A | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A59 D81 Y82 T83 V88 Q89 P95 | A59-A85 WeakPolarHBondContact O-CB 3.43Å; D81-A85 PolarHBondContact O-N 3.47Å; Y82-A85 WeakPolarHBondContact O-CB 3.41Å; Y82-A85 PolarHBondContact O-N 3.41Å; T83-A85 VanDerWaalsContact C-N 3.32Å; T83-A85 PolarHBondContact O-N 3.47Å; A85-V88 PolarHBondContact O-N 2.78Å; A85-Q89 PolarHBondContact O-N 3.31Å; A85-P95 HydrophobicContact CB-CB 3.94Å; A85-P95 HydrophobicContact CB-CG 3.59Å |
| 86 | I | 98.5 | Very high | 98.1 | Very high | 18 Ų | 18 | 48.9 Ų | 48.9 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 177.1 | -70.9 | 163.3 | 0 | 0 | 0 | 111.3 | Y82 T83 V88 Q89 P90 P95 Y96 | Y82-I86 WeakPolarHBondContact O-CD1 3.36Å; Y82-I86 VanDerWaalsContact O-CG1 3.24Å; Y82-I86 WeakPolarHBondContact O-CG1 3.25Å; Y82-I86 PolarHBondContact O-N 3.02Å; T83-I86 WeakPolarHBondContact O-CB 3.25Å; T83-I86 PolarHBondContact O-N 2.9Å; T83-I86 VanDerWaalsContact O-N 3.17Å; I86-V88 VanDerWaalsContact C-N 3.34Å; I86-Q89 CarbonylContact O-C 3.42Å; I86-Q89 VanDerWaalsContact O-C 3.26Å; I86-Q89 PolarHBondContact O-N 3.44Å; I86-P90 VanDerWaalsContact O-CA 3.25Å; I86-P90 WeakPolarHBondContact O-CA 3.44Å; I86-P90 WeakPolarHBondContact O-CD 3.21Å; I86-P90 WeakPolarHBondContact O-CG 3.27Å; I86-P90 VanDerWaalsContact O-N 3.1Å; I86-P95 HydrophobicContact CD1-CB 4.25Å; I86-P95 HydrophobicContact CG1-CB 3.78Å; I86-Y96 HydrophobicContact CD1-CD1 3.61Å; I86-Y96 HydrophobicContact CD1-CD2 4.27Å; I86-Y96 HydrophobicContact CD1-CE1 3.79Å; I86-Y96 HydrophobicContact CD1-CE2 4.44Å; I86-Y96 HydrophobicContact CD1-CG 3.9Å; I86-Y96 HydrophobicContact CG1-CD1 4.12Å; I86-Y96 HydrophobicContact CG1-CD2 4Å; I86-Y96 HydrophobicContact CG1-CE1 3.99Å; I86-Y96 HydrophobicContact CG1-CE2 3.87Å; I86-Y96 HydrophobicContact CG1-CG 4.15Å; I86-Y96 HydrophobicContact CG2-CE1 3.72Å; I86-Y96 HydrophobicContact CG2-CE2 4.17Å; I86-Y96 VanDerWaalsContact CG2-CZ 3.47Å; I86-Y96 WeakPolarHBondContact CG2-OH 3.48Å |
| 87 | E | 97.4 | Very high | 98.2 | Very high | 146 Ų | 146 | 43.3 Ų | 43.3 | 68% | 0.682 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -64.6 | -39.1 | 178.2 | -73 | 176.8 | 173.5 | 0 | 0 | 112.1 | T83 S84 | T83-E87 WeakPolarHBondContact O-CG 3.45Å; T83-E87 PolarHBondContact O-N 3.42Å; S84-E87 PolarHBondContact O-N 3.41Å |
| 88 | V | 94.7 | Very high | 98.2 | Very high | 49 Ų | 49 | 39.8 Ų | 39.8 | 30% | 0.297 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -71.5 | -43.4 | 177 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | P55 L58 A59 Y62 S84 A85 I86 | P55-V88 HydrophobicContact CB-CG1 4.08Å; P55-V88 WeakPolarHBondContact O-CG1 3.46Å; L58-V88 HydrophobicContact CB-CG1 4.24Å; L58-V88 HydrophobicContact CD2-CG1 4.24Å; L58-V88 HydrophobicContact CD2-CG2 4.04Å; L58-V88 HydrophobicContact CG-CG1 4.29Å; L58-V88 HydrophobicContact CG-CG2 4.27Å; A59-V88 HydrophobicContact CB-CB 4.27Å; A59-V88 HydrophobicContact CB-CG1 4.05Å; Y62-V88 HydrophobicContact CD2-CG2 4.36Å; Y62-V88 HydrophobicContact CE2-CG2 4.15Å; S84-V88 VanDerWaalsContact O-CG2 3.29Å; S84-V88 WeakPolarHBondContact O-CG2 3.25Å; S84-V88 PolarHBondContact O-N 3.42Å; S84-V88 VanDerWaalsContact O-N 3.1Å; A85-V88 PolarHBondContact O-N 2.78Å; I86-V88 VanDerWaalsContact C-N 3.34Å |
| 89 | Q | 96.4 | Very high | 98.2 | Very high | 34 Ų | 34 | 42 Ų | 42 | 16% | 0.159 | 22% | 0.219 | C | C | . | . | trans | -136.5 | 87 | -176.6 | -169.2 | 172 | 14.6 | 0 | 0 | 111.4 | A59 A85 I86 N91 F92 | A59-Q89 HydrophobicContact CB-CB 3.56Å; A85-Q89 PolarHBondContact O-N 3.31Å; I86-Q89 CarbonylContact O-C 3.42Å; I86-Q89 VanDerWaalsContact O-C 3.26Å; I86-Q89 PolarHBondContact O-N 3.44Å; Q89-N91 WeakPolarHBondContact CG-OD1 3.39Å; Q89-N91 PolarHBondContact NE2-OD1 3.49Å; Q89-N91 PolarHBondContact O-N 3.12Å; Q89-N91 VanDerWaalsContact O-N 3.07Å; Q89-F92 HydrophobicContact CB-CB 4.04Å; Q89-F92 HydrophobicContact CG-CB 3.81Å; Q89-F92 WeakPolarHBondContact O-CB 3.41Å; Q89-F92 PolarHBondContact O-N 3.38Å | ||
| 90 | P | 97.9 | Very high | 98.2 | Very high | 75 Ų | 75 | 40.4 Ų | 40.4 | 49% | 0.487 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -15.7 | -175.5 | -25 | 34.4 | 0 | 0 | 0 | 115.3 | I86 Y96 | I86-P90 VanDerWaalsContact O-CA 3.25Å; I86-P90 WeakPolarHBondContact O-CA 3.44Å; I86-P90 WeakPolarHBondContact O-CD 3.21Å; I86-P90 WeakPolarHBondContact O-CG 3.27Å; I86-P90 VanDerWaalsContact O-N 3.1Å; P90-Y96 WeakPolarHBondContact O-CE2 3.36Å; P90-Y96 PolarHBondContact O-OH 3.46Å |
| 91 | N | 97.7 | Very high | 98.2 | Very high | 104 Ų | 104 | 37.2 Ų | 37.2 | 56% | 0.556 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 5.9 | 176.6 | 68.2 | -14.6 | 0 | 0 | 0 | 113.6 | Q89 L122 | Q89-N91 WeakPolarHBondContact CG-OD1 3.39Å; Q89-N91 PolarHBondContact NE2-OD1 3.49Å; Q89-N91 PolarHBondContact O-N 3.12Å; Q89-N91 VanDerWaalsContact O-N 3.07Å; N91-L122 HydrophobicContact CB-CD2 4.2Å |
| 92 | F | 97.8 | Very high | 98.2 | Very high | 34 Ų | 34 | 37.1 Ų | 37.1 | 15% | 0.149 | 19% | 0.194 | C | C | . | . | trans | -86 | 108.7 | 172.2 | -174.9 | -160.3 | 0 | 0 | 0 | 109.2 | A59 N63 Q89 V94 P95 Y96 | A59-F92 HydrophobicContact CB-CD1 4.01Å; N63-F92 HydrophobicContact CB-CE1 3.77Å; N63-F92 HydrophobicContact CB-CZ 4.26Å; Q89-F92 HydrophobicContact CB-CB 4.04Å; Q89-F92 HydrophobicContact CG-CB 3.81Å; Q89-F92 WeakPolarHBondContact O-CB 3.41Å; Q89-F92 PolarHBondContact O-N 3.38Å; F92-V94 HydrophobicContact CD2-CB 4.18Å; F92-V94 HydrophobicContact CD2-CG2 4.28Å; F92-V94 HydrophobicContact CE2-CB 3.57Å; F92-V94 HydrophobicContact CE2-CG2 3.63Å; F92-V94 HydrophobicContact CZ-CB 3.92Å; F92-V94 HydrophobicContact CZ-CG2 4.35Å; F92-P95 VanDerWaalsContact CD1-CD 3.41Å; F92-P95 HydrophobicContact CD1-CG 3.36Å; F92-P95 HydrophobicContact CE1-CG 3.63Å; F92-P95 HydrophobicContact CG-CG 3.93Å; F92-P95 HydrophobicContact CZ-CG 4.38Å; F92-P95 WeakPolarHBondContact O-CD 3.28Å; F92-Y96 VanDerWaalsContact O-CD2 3.25Å; F92-Y96 WeakPolarHBondContact O-CD2 3.37Å; F92-Y96 WeakPolarHBondContact O-CE2 3.38Å | ||
| 93 | E | 98.4 | Very high | 98.2 | Very high | 46 Ų | 46 | 37.7 Ų | 37.7 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -76.8 | -27.8 | -170.7 | 73.5 | -85.9 | -147.8 | 0 | 0 | 113.7 | Y96 Y97 V119 L122 N123 F126 | E93-Y96 PolarHBondContact O-N 3.13Å; E93-Y97 PolarHBondContact O-N 3.49Å; E93-Y97 VanDerWaalsContact O-N 3.16Å; E93-V119 HydrophobicContact CB-CG1 4.23Å; E93-V119 HydrophobicContact CG-CG1 4.38Å; E93-L122 HydrophobicContact CB-CB 3.99Å; E93-L122 HydrophobicContact CB-CD1 3.91Å; E93-N123 HydrophobicContact CG-CB 4.14Å; E93-N123 PolarHBondContact OE1-ND2 3.26Å; E93-F126 HydrophobicContact CG-CD2 3.9Å; E93-F126 HydrophobicContact CG-CE2 4.01Å |
| 94 | V | 98.6 | Very high | 98.2 | Very high | 44 Ų | 44 | 39 Ų | 39 | 27% | 0.267 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.9 | -43.4 | -173.3 | 179.4 | 0 | 0 | 0 | 0 | 113.2 | F92 Y96 Y97 N98 | F92-V94 HydrophobicContact CD2-CB 4.18Å; F92-V94 HydrophobicContact CD2-CG2 4.28Å; F92-V94 HydrophobicContact CE2-CB 3.57Å; F92-V94 HydrophobicContact CE2-CG2 3.63Å; F92-V94 HydrophobicContact CZ-CB 3.92Å; F92-V94 HydrophobicContact CZ-CG2 4.35Å; V94-Y96 PolarHBondContact O-N 2.92Å; V94-Y97 PolarHBondContact O-N 3.27Å; V94-N98 PolarHBondContact O-N 3.35Å; V94-N98 PolarHBondContact O-ND2 2.9Å |
| 95 | P | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.1 | -40 | 173.5 | -29.1 | 36.2 | 0 | 0 | 0 | 114.5 | N63 Y82 A85 I86 F92 N98 R99 | N63-P95 HydrophobicContact CB-CG 4.14Å; Y82-P95 HydrophobicContact CD1-CB 4.39Å; A85-P95 HydrophobicContact CB-CB 3.94Å; A85-P95 HydrophobicContact CB-CG 3.59Å; I86-P95 HydrophobicContact CD1-CB 4.25Å; I86-P95 HydrophobicContact CG1-CB 3.78Å; F92-P95 VanDerWaalsContact CD1-CD 3.41Å; F92-P95 HydrophobicContact CD1-CG 3.36Å; F92-P95 HydrophobicContact CE1-CG 3.63Å; F92-P95 HydrophobicContact CG-CG 3.93Å; F92-P95 HydrophobicContact CZ-CG 4.38Å; F92-P95 WeakPolarHBondContact O-CD 3.28Å; P95-N98 PolarHBondContact O-N 2.88Å; P95-R99 WeakPolarHBondContact O-CB 3.34Å; P95-R99 PolarHBondContact O-N 3.31Å |
| 96 | Y | 98.9 | Very high | 98.1 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 8% | 0.082 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 175.6 | -66.2 | -86.9 | 0 | 0 | 0 | 110.3 | I86 P90 F92 E93 V94 N98 R99 G100 D115 K118 L122 | I86-Y96 HydrophobicContact CD1-CD1 3.61Å; I86-Y96 HydrophobicContact CD1-CD2 4.27Å; I86-Y96 HydrophobicContact CD1-CE1 3.79Å; I86-Y96 HydrophobicContact CD1-CE2 4.44Å; I86-Y96 HydrophobicContact CD1-CG 3.9Å; I86-Y96 HydrophobicContact CG1-CD1 4.12Å; I86-Y96 HydrophobicContact CG1-CD2 4Å; I86-Y96 HydrophobicContact CG1-CE1 3.99Å; I86-Y96 HydrophobicContact CG1-CE2 3.87Å; I86-Y96 HydrophobicContact CG1-CG 4.15Å; I86-Y96 HydrophobicContact CG2-CE1 3.72Å; I86-Y96 HydrophobicContact CG2-CE2 4.17Å; I86-Y96 VanDerWaalsContact CG2-CZ 3.47Å; I86-Y96 WeakPolarHBondContact CG2-OH 3.48Å; P90-Y96 WeakPolarHBondContact O-CE2 3.36Å; P90-Y96 PolarHBondContact O-OH 3.46Å; F92-Y96 VanDerWaalsContact O-CD2 3.25Å; F92-Y96 WeakPolarHBondContact O-CD2 3.37Å; F92-Y96 WeakPolarHBondContact O-CE2 3.38Å; E93-Y96 PolarHBondContact O-N 3.13Å; V94-Y96 PolarHBondContact O-N 2.92Å; Y96-N98 PolarHBondContact O-N 3.43Å; Y96-R99 PolarHBondContact O-N 3.38Å; Y96-G100 PolarHBondContact O-N 3.22Å; Y96-D115 WeakPolarHBondContact O-CB 3.35Å; Y96-K118 HydrophobicContact CD1-CB 4.06Å; Y96-K118 HydrophobicContact CD1-CG 3.65Å; Y96-K118 HydrophobicContact CD2-CG 4.21Å; Y96-K118 HydrophobicContact CE1-CB 4.32Å; Y96-K118 HydrophobicContact CE1-CG 3.49Å; Y96-K118 VanDerWaalsContact CE1-CG 3.49Å; Y96-K118 HydrophobicContact CE2-CG 4.07Å; Y96-K118 HydrophobicContact CG-CB 4.41Å; Y96-K118 HydrophobicContact CG-CG 4Å; Y96-L122 HydrophobicContact CD2-CD1 4.16Å; Y96-L122 HydrophobicContact CE2-CD1 3.93Å |
| 97 | Y | 98.9 | Very high | 98 | Very high | 32 Ų | 32 | 47.1 Ų | 47.1 | 13% | 0.125 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -47.4 | 177.9 | 179.5 | -111.9 | 0 | 0 | 0 | 111.7 | E93 V94 G100 L101 F116 F126 D128 A129 | E93-Y97 PolarHBondContact O-N 3.49Å; E93-Y97 VanDerWaalsContact O-N 3.16Å; V94-Y97 PolarHBondContact O-N 3.27Å; Y97-G100 PolarHBondContact O-N 3.16Å; Y97-L101 HydrophobicContact CD1-CD1 4.17Å; Y97-L101 HydrophobicContact CE1-CD1 3.59Å; Y97-L101 HydrophobicContact CE1-CG 4.22Å; Y97-L101 HydrophobicContact CE2-CD1 4.49Å; Y97-L101 HydrophobicContact CE2-CD2 4.27Å; Y97-L101 HydrophobicContact CE2-CG 4.27Å; Y97-L101 WeakPolarHBondContact O-CG 3.46Å; Y97-L101 PolarHBondContact O-N 2.88Å; Y97-F116 AromaticContact CD2-CD1 3.85Å; Y97-F116 HydrophobicContact CD2-CD1 3.85Å; Y97-F116 AromaticContact CD2-CE1 3.71Å; Y97-F116 HydrophobicContact CD2-CE1 3.71Å; Y97-F116 HydrophobicContact CE2-CD1 4.27Å; Y97-F116 AromaticContact CE2-CE1 3.88Å; Y97-F116 HydrophobicContact CE2-CE1 3.88Å; Y97-F126 HydrophobicContact CD1-CE1 4.47Å; Y97-F126 HydrophobicContact CD1-CZ 4.03Å; Y97-F126 HydrophobicContact CE1-CZ 4.49Å; Y97-F126 HydrophobicContact CG-CZ 4.12Å; Y97-D128 HydrophobicContact CE2-CB 4.13Å; Y97-D128 WeakPolarHBondContact OH-CB 3.36Å; Y97-A129 HydrophobicContact CD2-CB 4.08Å; Y97-A129 HydrophobicContact CE2-CB 4.42Å |
| 98 | N | 98.8 | Very high | 98.1 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.102 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.4 | -40.2 | -178.9 | -68.7 | -28.4 | 0 | 0 | 0 | 112.8 | N63 Y82 V94 P95 Y96 L101 I102 | N63-N98 PolarHBondContact OD1-ND2 3.01Å; N63-N98 VanDerWaalsContact OD1-ND2 3.07Å; Y82-N98 HydrophobicContact CD1-CB 4.04Å; Y82-N98 HydrophobicContact CD2-CB 3.96Å; Y82-N98 HydrophobicContact CE1-CB 3.58Å; Y82-N98 HydrophobicContact CE2-CB 3.48Å; Y82-N98 VanDerWaalsContact CE2-CB 3.48Å; Y82-N98 HydrophobicContact CG-CB 4.23Å; V94-N98 PolarHBondContact O-N 3.35Å; V94-N98 PolarHBondContact O-ND2 2.9Å; P95-N98 PolarHBondContact O-N 2.88Å; Y96-N98 PolarHBondContact O-N 3.43Å; N98-L101 PolarHBondContact O-N 3.24Å; N98-I102 PolarHBondContact O-N 3.27Å |
| 99 | R | 98.9 | Very high | 98.3 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 17% | 0.174 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 174.5 | -169.8 | 175 | 69.5 | -179.7 | 1.6 | 111.4 | M79 Y82 T83 P95 Y96 L101 I102 L103 D115 | M79-R99 HydrophobicContact CB-CG 4.43Å; M79-R99 HydrophobicContact CE-CG 4.07Å; M79-R99 HydrophobicContact CG-CG 4.08Å; Y82-R99 HydrophobicContact CD2-CB 4.04Å; Y82-R99 HydrophobicContact CG-CB 4.36Å; T83-R99 PolarHBondContact OG1-NH1 3.1Å; P95-R99 WeakPolarHBondContact O-CB 3.34Å; P95-R99 PolarHBondContact O-N 3.31Å; Y96-R99 PolarHBondContact O-N 3.38Å; R99-L101 VanDerWaalsContact C-N 3.32Å; R99-L101 PolarHBondContact O-N 3.07Å; R99-I102 WeakPolarHBondContact O-CB 3.41Å; R99-I102 PolarHBondContact O-N 3.43Å; R99-I102 VanDerWaalsContact O-N 3.09Å; R99-L103 HydrophobicContact CG-CD1 4.1Å; R99-L103 WeakPolarHBondContact O-CG 3.32Å; R99-L103 PolarHBondContact O-N 2.98Å; R99-D115 WeakPolarHBondContact CB-OD2 3.38Å; R99-D115 WeakPolarHBondContact CG-OD2 3.5Å; R99-D115 IonicContact CZ-OD1 3.53Å; R99-D115 IonicContact CZ-OD2 2.81Å; R99-D115 IonicContact NE-OD1 3.79Å; R99-D115 IonicContact NE-OD2 2.72Å; R99-D115 PolarHBondContact NE-OD2 3.39Å; R99-D115 IonicContact NH2-OD1 2.74Å; R99-D115 PolarHBondContact NH2-OD1 3.47Å; R99-D115 IonicContact NH2-OD2 3.56Å |
| 100 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.7 | -40.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y96 Y97 I102 L103 Y104 A112 D115 | Y96-G100 PolarHBondContact O-N 3.22Å; Y97-G100 PolarHBondContact O-N 3.16Å; G100-I102 VanDerWaalsContact C-N 3.34Å; G100-I102 PolarHBondContact O-N 3.38Å; G100-L103 PolarHBondContact O-N 2.9Å; G100-Y104 WeakPolarHBondContact O-CB 3.48Å; G100-Y104 PolarHBondContact O-N 3.14Å; G100-A112 WeakPolarHBondContact O-CB 3.01Å; G100-D115 PolarHBondContact N-OD2 2.96Å |
| 101 | L | 98.8 | Very high | 98.4 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 18% | 0.178 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 174.5 | -72.6 | 178.1 | 0 | 0 | 0 | 112.6 | Y97 N98 R99 R105 F116 | Y97-L101 HydrophobicContact CD1-CD1 4.17Å; Y97-L101 HydrophobicContact CE1-CD1 3.59Å; Y97-L101 HydrophobicContact CE1-CG 4.22Å; Y97-L101 HydrophobicContact CE2-CD1 4.49Å; Y97-L101 HydrophobicContact CE2-CD2 4.27Å; Y97-L101 HydrophobicContact CE2-CG 4.27Å; Y97-L101 WeakPolarHBondContact O-CG 3.46Å; Y97-L101 PolarHBondContact O-N 2.88Å; N98-L101 PolarHBondContact O-N 3.24Å; R99-L101 VanDerWaalsContact C-N 3.32Å; R99-L101 PolarHBondContact O-N 3.07Å; L101-R105 VanDerWaalsContact O-CG 3.32Å; L101-R105 WeakPolarHBondContact O-CG 3.24Å; L101-R105 PolarHBondContact O-N 3.18Å; L101-R105 VanDerWaalsContact O-N 3.09Å; L101-F116 HydrophobicContact CD2-CE1 4.33Å; L101-F116 HydrophobicContact CD2-CZ 4.08Å; L101-F116 HydrophobicContact CG-CE1 4.35Å; L101-F116 HydrophobicContact CG-CZ 4.42Å |
| 102 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.9 | -49.3 | 175.9 | -66.1 | 176.3 | 0 | 0 | 0 | 110.4 | Y70 F75 A78 M79 Y82 N98 R99 G100 Y104 R105 L106 | Y70-I102 HydrophobicContact CD2-CD1 3.85Å; Y70-I102 HydrophobicContact CD2-CG1 3.58Å; Y70-I102 HydrophobicContact CE2-CG1 3.92Å; F75-I102 HydrophobicContact CB-CG2 3.64Å; F75-I102 HydrophobicContact CD1-CD1 4.14Å; F75-I102 HydrophobicContact CD1-CG1 3.91Å; F75-I102 HydrophobicContact CD1-CG2 3.99Å; F75-I102 HydrophobicContact CE1-CG1 4.47Å; F75-I102 HydrophobicContact CG-CG2 3.88Å; A78-I102 HydrophobicContact CB-CD1 3.66Å; M79-I102 HydrophobicContact CG-CB 4.09Å; M79-I102 HydrophobicContact CG-CD1 3.93Å; M79-I102 HydrophobicContact CG-CG2 3.73Å; M79-I102 HydrophobicContact SD-CB 4.31Å; M79-I102 HydrophobicContact SD-CG2 3.56Å; M79-I102 VanDerWaalsContact SD-CG2 3.56Å; Y82-I102 HydrophobicContact CD2-CD1 4.19Å; Y82-I102 HydrophobicContact CE2-CD1 3.72Å; N98-I102 PolarHBondContact O-N 3.27Å; R99-I102 WeakPolarHBondContact O-CB 3.41Å; R99-I102 PolarHBondContact O-N 3.43Å; R99-I102 VanDerWaalsContact O-N 3.09Å; G100-I102 VanDerWaalsContact C-N 3.34Å; G100-I102 PolarHBondContact O-N 3.38Å; I102-Y104 VanDerWaalsContact C-N 3.27Å; I102-Y104 PolarHBondContact O-N 3.29Å; I102-R105 WeakPolarHBondContact O-CB 3.41Å; I102-R105 PolarHBondContact O-N 3.19Å; I102-L106 HydrophobicContact CG2-CD1 3.79Å; I102-L106 HydrophobicContact CG2-CG 4.26Å; I102-L106 WeakPolarHBondContact O-CG 3.47Å; I102-L106 PolarHBondContact O-N 3.38Å |
| 103 | L | 98.8 | Very high | 98.5 | Very high | 13 Ų | 13 | 41.6 Ų | 41.6 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56 | -44.1 | 178.6 | -72.5 | 165.5 | 0 | 0 | 0 | 111.4 | M79 R99 G100 L106 G107 Y108 D111 A112 D115 | M79-L103 HydrophobicContact CE-CD1 4.46Å; M79-L103 HydrophobicContact CE-CD2 3.45Å; M79-L103 VanDerWaalsContact CE-CD2 3.45Å; M79-L103 HydrophobicContact CE-CG 3.87Å; M79-L103 HydrophobicContact SD-CD2 4.27Å; M79-L103 HydrophobicContact SD-CG 4.5Å; R99-L103 HydrophobicContact CG-CD1 4.1Å; R99-L103 WeakPolarHBondContact O-CG 3.32Å; R99-L103 PolarHBondContact O-N 2.98Å; G100-L103 PolarHBondContact O-N 2.9Å; L103-L106 CarbonylContact O-C 3.26Å; L103-L106 PolarHBondContact O-N 3.31Å; L103-G107 PolarHBondContact O-N 3.37Å; L103-G107 VanDerWaalsContact O-N 3.08Å; L103-Y108 HydrophobicContact CD2-CD2 3.94Å; L103-Y108 HydrophobicContact CD2-CG 4.32Å; L103-Y108 PolarHBondContact O-N 3.37Å; L103-D111 HydrophobicContact CD1-CB 3.73Å; L103-D111 HydrophobicContact CD2-CB 3.94Å; L103-D111 HydrophobicContact CG-CB 4.3Å; L103-A112 HydrophobicContact CB-CB 3.82Å; L103-D115 WeakPolarHBondContact CD1-OD2 3.45Å |
| 104 | Y | 98.7 | Very high | 98.5 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 28% | 0.275 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.8 | -48 | 173.9 | 168.3 | -94 | 0 | 0 | 0 | 111.9 | G100 I102 L106 G107 F109 Q135 T136 D139 | G100-Y104 WeakPolarHBondContact O-CB 3.48Å; G100-Y104 PolarHBondContact O-N 3.14Å; I102-Y104 VanDerWaalsContact C-N 3.27Å; I102-Y104 PolarHBondContact O-N 3.29Å; Y104-L106 VanDerWaalsContact C-N 3.27Å; Y104-L106 PolarHBondContact O-N 3.18Å; Y104-G107 PolarHBondContact O-N 3Å; Y104-F109 AromaticContact CD2-CD1 3.9Å; Y104-F109 HydrophobicContact CD2-CD1 3.9Å; Y104-F109 AromaticContact CD2-CE1 3.73Å; Y104-F109 HydrophobicContact CD2-CE1 3.73Å; Y104-F109 HydrophobicContact CE2-CD1 4.42Å; Y104-F109 AromaticContact CE2-CE1 3.9Å; Y104-F109 HydrophobicContact CE2-CE1 3.9Å; Y104-Q135 HydrophobicContact CE2-CG 4.37Å; Y104-T136 HydrophobicContact CD2-CG2 4.08Å; Y104-T136 VanDerWaalsContact CD2-OG1 3.25Å; Y104-T136 WeakPolarHBondContact CD2-OG1 3.19Å; Y104-D139 HydrophobicContact CE2-CB 4.45Å; Y104-D139 WeakPolarHBondContact CE2-OD2 3.39Å; Y104-D139 PolarHBondContact OH-OD2 3.41Å |
| 105 | R | 97.8 | Very high | 98.5 | Very high | 150 Ų | 150 | 44 Ų | 44 | 57% | 0.566 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -61.7 | -34.4 | 178 | -75 | 176.6 | -174.2 | -82.5 | -3.7 | 112.9 | Y70 L101 I102 G107 | Y70-R105 VanDerWaalsContact OH-CZ 3.27Å; Y70-R105 PolarHBondContact OH-NE 3.1Å; Y70-R105 PolarHBondContact OH-NH2 3Å; L101-R105 VanDerWaalsContact O-CG 3.32Å; L101-R105 WeakPolarHBondContact O-CG 3.24Å; L101-R105 PolarHBondContact O-N 3.18Å; L101-R105 VanDerWaalsContact O-N 3.09Å; I102-R105 WeakPolarHBondContact O-CB 3.41Å; I102-R105 PolarHBondContact O-N 3.19Å; R105-G107 PolarHBondContact O-N 3.1Å |
| 106 | L | 97.4 | Very high | 98.5 | Very high | 55 Ų | 55 | 44 Ų | 44 | 29% | 0.288 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -80 | -6 | 176.4 | -64 | 176.8 | 0 | 0 | 0 | 112.7 | F75 Y76 M79 I102 L103 Y104 Y108 | F75-L106 HydrophobicContact CD2-CD2 4.02Å; Y76-L106 HydrophobicContact CE1-CD1 4.44Å; M79-L106 HydrophobicContact SD-CD1 4.39Å; I102-L106 HydrophobicContact CG2-CD1 3.79Å; I102-L106 HydrophobicContact CG2-CG 4.26Å; I102-L106 WeakPolarHBondContact O-CG 3.47Å; I102-L106 PolarHBondContact O-N 3.38Å; L103-L106 CarbonylContact O-C 3.26Å; L103-L106 PolarHBondContact O-N 3.31Å; Y104-L106 VanDerWaalsContact C-N 3.27Å; Y104-L106 PolarHBondContact O-N 3.18Å; L106-Y108 VanDerWaalsContact C-N 3.33Å; L106-Y108 HydrophobicContact CB-CD2 3.45Å; L106-Y108 VanDerWaalsContact CB-CD2 3.45Å; L106-Y108 HydrophobicContact CB-CE2 3.51Å; L106-Y108 HydrophobicContact CB-CG 4.4Å; L106-Y108 HydrophobicContact CD1-CD2 4.1Å; L106-Y108 HydrophobicContact CD1-CE2 3.8Å; L106-Y108 HydrophobicContact CG-CD2 4.43Å; L106-Y108 HydrophobicContact CG-CE2 4.27Å |
| 107 | G | 96.9 | Very high | 98.5 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 19% | 0.186 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 13.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L103 Y104 R105 F109 K143 | L103-G107 PolarHBondContact O-N 3.37Å; L103-G107 VanDerWaalsContact O-N 3.08Å; Y104-G107 PolarHBondContact O-N 3Å; R105-G107 PolarHBondContact O-N 3.1Å; G107-F109 PolarHBondContact O-N 3.14Å; G107-F109 VanDerWaalsContact O-N 3.1Å; G107-K143 PolarHBondContact O-NZ 3.32Å |
| 108 | Y | 98.3 | Very high | 98.5 | Very high | 107 Ų | 107 | 50.5 Ų | 50.5 | 42% | 0.42 | 23% | 0.233 | S | C | . | . | trans | -81.6 | 66.2 | 170.4 | -57 | -54.6 | 0 | 0 | 0 | 109.4 | L103 L106 D110 D111 A112 | L103-Y108 HydrophobicContact CD2-CD2 3.94Å; L103-Y108 HydrophobicContact CD2-CG 4.32Å; L103-Y108 PolarHBondContact O-N 3.37Å; L106-Y108 VanDerWaalsContact C-N 3.33Å; L106-Y108 HydrophobicContact CB-CD2 3.45Å; L106-Y108 VanDerWaalsContact CB-CD2 3.45Å; L106-Y108 HydrophobicContact CB-CE2 3.51Å; L106-Y108 HydrophobicContact CB-CG 4.4Å; L106-Y108 HydrophobicContact CD1-CD2 4.1Å; L106-Y108 HydrophobicContact CD1-CE2 3.8Å; L106-Y108 HydrophobicContact CG-CD2 4.43Å; L106-Y108 HydrophobicContact CG-CE2 4.27Å; Y108-D110 VanDerWaalsContact C-N 3.33Å; Y108-D110 PolarHBondContact O-N 3.3Å; Y108-D111 PolarHBondContact O-N 3.4Å; Y108-A112 WeakPolarHBondContact O-CB 3.36Å; Y108-A112 PolarHBondContact O-N 3.41Å; Y108-A112 VanDerWaalsContact O-N 3.08Å | ||
| 109 | F | 98.4 | Very high | 98.5 | Very high | 26 Ų | 26 | 49.6 Ų | 49.6 | 11% | 0.114 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66 | -32 | -170.6 | -62.7 | -42.7 | 0 | 0 | 0 | 113.7 | Y104 G107 L113 T136 D139 K140 K143 | Y104-F109 AromaticContact CD2-CD1 3.9Å; Y104-F109 HydrophobicContact CD2-CD1 3.9Å; Y104-F109 AromaticContact CD2-CE1 3.73Å; Y104-F109 HydrophobicContact CD2-CE1 3.73Å; Y104-F109 HydrophobicContact CE2-CD1 4.42Å; Y104-F109 AromaticContact CE2-CE1 3.9Å; Y104-F109 HydrophobicContact CE2-CE1 3.9Å; G107-F109 PolarHBondContact O-N 3.14Å; G107-F109 VanDerWaalsContact O-N 3.1Å; F109-L113 WeakPolarHBondContact O-CG 3.41Å; F109-L113 PolarHBondContact O-N 3.17Å; F109-T136 HydrophobicContact CB-CG2 3.88Å; F109-T136 HydrophobicContact CD1-CG2 3.91Å; F109-T136 HydrophobicContact CG-CG2 4.24Å; F109-D139 HydrophobicContact CE1-CB 4.27Å; F109-D139 HydrophobicContact CE2-CB 4.32Å; F109-D139 HydrophobicContact CZ-CB 3.86Å; F109-K140 HydrophobicContact CB-CB 3.96Å; F109-K140 HydrophobicContact CB-CD 4.21Å; F109-K140 HydrophobicContact CB-CG 4.13Å; F109-K140 HydrophobicContact CD2-CB 3.76Å; F109-K140 HydrophobicContact CD2-CG 4.18Å; F109-K140 HydrophobicContact CG-CB 4.1Å; F109-K143 HydrophobicContact CD2-CD 4.11Å; F109-K143 HydrophobicContact CE2-CB 4.15Å; F109-K143 HydrophobicContact CE2-CD 3.59Å |
| 110 | D | 98.5 | Very high | 98.5 | Very high | 100 Ų | 100 | 49 Ų | 49 | 54% | 0.535 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.5 | -48.1 | 178.5 | -76.3 | -54.6 | 0 | 0 | 0 | 111.9 | Y108 A112 L113 E114 K140 | Y108-D110 VanDerWaalsContact C-N 3.33Å; Y108-D110 PolarHBondContact O-N 3.3Å; D110-A112 PolarHBondContact O-N 3Å; D110-L113 PolarHBondContact O-N 2.03Å; D110-E114 PolarHBondContact O-N 3.15Å; D110-E114 VanDerWaalsContact O-N 3.17Å; D110-K140 WeakPolarHBondContact OD1-CE 3.46Å; D110-K140 IonicContact OD1-NZ 3.86Å; D110-K140 PolarHBondContact OD1-NZ 2.89Å; D110-K140 IonicContact OD2-NZ 2.93Å |
| 111 | D | 98.6 | Very high | 98.5 | Very high | 79 Ų | 79 | 54.9 Ų | 54.9 | 42% | 0.422 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 178.3 | -52 | -56.2 | 0 | 0 | 0 | 111.2 | L103 Y108 L113 E114 D115 | L103-D111 HydrophobicContact CD1-CB 3.73Å; L103-D111 HydrophobicContact CD2-CB 3.94Å; L103-D111 HydrophobicContact CG-CB 4.3Å; Y108-D111 PolarHBondContact O-N 3.4Å; D111-L113 VanDerWaalsContact C-N 3.31Å; D111-L113 PolarHBondContact O-N 3.31Å; D111-E114 PolarHBondContact O-N 2.87Å; D111-D115 PolarHBondContact O-N 3.43Å; D111-D115 VanDerWaalsContact O-N 3.09Å |
| 112 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G100 L103 Y108 D110 E114 D115 F116 T136 | G100-A112 WeakPolarHBondContact O-CB 3.01Å; L103-A112 HydrophobicContact CB-CB 3.82Å; Y108-A112 WeakPolarHBondContact O-CB 3.36Å; Y108-A112 PolarHBondContact O-N 3.41Å; Y108-A112 VanDerWaalsContact O-N 3.08Å; D110-A112 PolarHBondContact O-N 3Å; A112-E114 VanDerWaalsContact C-N 3.34Å; A112-D115 PolarHBondContact O-N 3.05Å; A112-F116 HydrophobicContact CB-CE2 4.1Å; A112-F116 WeakPolarHBondContact O-CD2 3.09Å; A112-F116 VanDerWaalsContact O-CG 3.28Å; A112-F116 WeakPolarHBondContact O-CG 3.41Å; A112-F116 PolarHBondContact O-N 3.05Å; A112-T136 HydrophobicContact CB-CG2 4.24Å |
| 113 | L | 98.8 | Very high | 98.5 | Very high | 14 Ų | 14 | 58.7 Ų | 58.7 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.8 | -36.6 | 176.5 | -72.4 | 169.9 | 0 | 0 | 0 | 112.2 | F109 D110 D111 K117 L133 T136 I137 K140 | F109-L113 WeakPolarHBondContact O-CG 3.41Å; F109-L113 PolarHBondContact O-N 3.17Å; D110-L113 PolarHBondContact O-N 2.03Å; D111-L113 VanDerWaalsContact C-N 3.31Å; D111-L113 PolarHBondContact O-N 3.31Å; L113-K117 WeakPolarHBondContact O-CB 3.19Å; L113-K117 WeakPolarHBondContact O-CD 3.36Å; L113-K117 WeakPolarHBondContact O-CG 3.47Å; L113-K117 PolarHBondContact O-N 3Å; L113-L133 HydrophobicContact CD2-CD1 3.87Å; L113-L133 HydrophobicContact CD2-CG 4.08Å; L113-T136 HydrophobicContact CD1-CG2 4.35Å; L113-T136 HydrophobicContact CD2-CG2 3.73Å; L113-T136 HydrophobicContact CG-CG2 3.65Å; L113-I137 HydrophobicContact CD1-CG1 4.36Å; L113-I137 HydrophobicContact CD2-CD1 4.42Å; L113-I137 HydrophobicContact CD2-CG1 3.72Å; L113-K140 HydrophobicContact CD1-CD 4.21Å |
| 114 | E | 98.8 | Very high | 98.4 | Very high | 136 Ų | 136 | 63.1 Ų | 63.1 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.4 | -49.2 | 175 | -174.1 | 172.8 | 176.5 | 0 | 0 | 110.9 | D110 D111 A112 F116 K117 K118 | D110-E114 PolarHBondContact O-N 3.15Å; D110-E114 VanDerWaalsContact O-N 3.17Å; D111-E114 PolarHBondContact O-N 2.87Å; A112-E114 VanDerWaalsContact C-N 3.34Å; E114-F116 PolarHBondContact O-N 2.88Å; E114-K117 PolarHBondContact O-N 3.28Å; E114-K118 WeakPolarHBondContact O-CB 3.45Å; E114-K118 PolarHBondContact O-N 2.92Å |
| 115 | D | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 62.4 Ų | 62.4 | 3% | 0.027 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 178 | -87.6 | -6.9 | 0 | 0 | 0 | 112 | Y96 R99 G100 L103 D111 A112 K117 K118 V119 | Y96-D115 WeakPolarHBondContact O-CB 3.35Å; R99-D115 WeakPolarHBondContact CB-OD2 3.38Å; R99-D115 WeakPolarHBondContact CG-OD2 3.5Å; R99-D115 IonicContact CZ-OD1 3.53Å; R99-D115 IonicContact CZ-OD2 2.81Å; R99-D115 IonicContact NE-OD1 3.79Å; R99-D115 IonicContact NE-OD2 2.72Å; R99-D115 PolarHBondContact NE-OD2 3.39Å; R99-D115 IonicContact NH2-OD1 2.74Å; R99-D115 PolarHBondContact NH2-OD1 3.47Å; R99-D115 IonicContact NH2-OD2 3.56Å; G100-D115 PolarHBondContact N-OD2 2.96Å; L103-D115 WeakPolarHBondContact CD1-OD2 3.45Å; D111-D115 PolarHBondContact O-N 3.43Å; D111-D115 VanDerWaalsContact O-N 3.09Å; A112-D115 PolarHBondContact O-N 3.05Å; D115-K117 PolarHBondContact O-N 3.3Å; D115-K118 WeakPolarHBondContact O-CB 3.44Å; D115-K118 PolarHBondContact O-N 3.45Å; D115-V119 WeakPolarHBondContact O-CG2 2.99Å; D115-V119 PolarHBondContact O-N 2.88Å |
| 116 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.8 | -35.3 | 178.2 | -63.9 | -39 | 0 | 0 | 0 | 113.3 | Y97 L101 A112 E114 K118 V119 L120 L133 T136 | Y97-F116 AromaticContact CD2-CD1 3.85Å; Y97-F116 HydrophobicContact CD2-CD1 3.85Å; Y97-F116 AromaticContact CD2-CE1 3.71Å; Y97-F116 HydrophobicContact CD2-CE1 3.71Å; Y97-F116 HydrophobicContact CE2-CD1 4.27Å; Y97-F116 AromaticContact CE2-CE1 3.88Å; Y97-F116 HydrophobicContact CE2-CE1 3.88Å; L101-F116 HydrophobicContact CD2-CE1 4.33Å; L101-F116 HydrophobicContact CD2-CZ 4.08Å; L101-F116 HydrophobicContact CG-CE1 4.35Å; L101-F116 HydrophobicContact CG-CZ 4.42Å; A112-F116 HydrophobicContact CB-CE2 4.1Å; A112-F116 WeakPolarHBondContact O-CD2 3.09Å; A112-F116 VanDerWaalsContact O-CG 3.28Å; A112-F116 WeakPolarHBondContact O-CG 3.41Å; A112-F116 PolarHBondContact O-N 3.05Å; E114-F116 PolarHBondContact O-N 2.88Å; F116-K118 VanDerWaalsContact C-N 3.35Å; F116-V119 PolarHBondContact O-N 2.92Å; F116-L120 WeakPolarHBondContact O-CG 3.43Å; F116-L120 PolarHBondContact O-N 3.18Å; F116-L133 HydrophobicContact CB-CB 4.15Å; F116-L133 HydrophobicContact CB-CD1 3.94Å; F116-T136 WeakPolarHBondContact CE2-OG1 3.32Å |
| 117 | K | 98.8 | Very high | 98.4 | Very high | 114 Ų | 114 | 61.7 Ų | 61.7 | 50% | 0.496 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 172.6 | -74.8 | 169.7 | -172.7 | 173.8 | 0 | 110.8 | L113 E114 D115 V119 L120 D121 L133 | L113-K117 WeakPolarHBondContact O-CB 3.19Å; L113-K117 WeakPolarHBondContact O-CD 3.36Å; L113-K117 WeakPolarHBondContact O-CG 3.47Å; L113-K117 PolarHBondContact O-N 3Å; E114-K117 PolarHBondContact O-N 3.28Å; D115-K117 PolarHBondContact O-N 3.3Å; K117-V119 VanDerWaalsContact C-N 3.26Å; K117-V119 PolarHBondContact O-N 2.94Å; K117-L120 CarbonylContact O-C 3.6Å; K117-L120 PolarHBondContact O-N 3.06Å; K117-D121 PolarHBondContact O-N 3.2Å; K117-L133 HydrophobicContact CG-CD1 3.59Å |
| 118 | K | 98.8 | Very high | 98.5 | Very high | 75 Ų | 75 | 64.8 Ų | 64.8 | 33% | 0.326 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.1 | -38.5 | 178.8 | -174.7 | 54.9 | 173.8 | -179.8 | 0 | 112.1 | Y96 E114 D115 F116 L120 D121 L122 | Y96-K118 HydrophobicContact CD1-CB 4.06Å; Y96-K118 HydrophobicContact CD1-CG 3.65Å; Y96-K118 HydrophobicContact CD2-CG 4.21Å; Y96-K118 HydrophobicContact CE1-CB 4.32Å; Y96-K118 HydrophobicContact CE1-CG 3.49Å; Y96-K118 VanDerWaalsContact CE1-CG 3.49Å; Y96-K118 HydrophobicContact CE2-CG 4.07Å; Y96-K118 HydrophobicContact CG-CB 4.41Å; Y96-K118 HydrophobicContact CG-CG 4Å; E114-K118 WeakPolarHBondContact O-CB 3.45Å; E114-K118 PolarHBondContact O-N 2.92Å; D115-K118 WeakPolarHBondContact O-CB 3.44Å; D115-K118 PolarHBondContact O-N 3.45Å; F116-K118 VanDerWaalsContact C-N 3.35Å; K118-L120 VanDerWaalsContact C-N 3.34Å; K118-L120 PolarHBondContact O-N 2.85Å; K118-D121 PolarHBondContact O-N 2.87Å; K118-L122 HydrophobicContact CG-CD1 4.44Å; K118-L122 WeakPolarHBondContact O-CG 3.07Å; K118-L122 PolarHBondContact O-N 3Å; K118-L122 VanDerWaalsContact O-N 3.12Å |
| 119 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.3 | -46.3 | 172.5 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | E93 D115 F116 K117 L122 N123 F126 A129 | E93-V119 HydrophobicContact CB-CG1 4.23Å; E93-V119 HydrophobicContact CG-CG1 4.38Å; D115-V119 WeakPolarHBondContact O-CG2 2.99Å; D115-V119 PolarHBondContact O-N 2.88Å; F116-V119 PolarHBondContact O-N 2.92Å; K117-V119 VanDerWaalsContact C-N 3.26Å; K117-V119 PolarHBondContact O-N 2.94Å; V119-L122 PolarHBondContact O-N 3.08Å; V119-N123 PolarHBondContact O-N 2.94Å; V119-F126 HydrophobicContact CG1-CB 3.89Å; V119-F126 HydrophobicContact CG1-CD2 3.26Å; V119-F126 HydrophobicContact CG1-CE2 3.9Å; V119-F126 HydrophobicContact CG1-CG 3.71Å; V119-A129 HydrophobicContact CB-CB 3.94Å; V119-A129 HydrophobicContact CG1-CB 3.52Å |
| 120 | L | 98.7 | Very high | 98.5 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 17% | 0.173 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.5 | -28.6 | -178.8 | -64 | 174.2 | 0 | 0 | 0 | 113.2 | F116 K117 K118 L122 N123 P124 F126 A129 T130 | F116-L120 WeakPolarHBondContact O-CG 3.43Å; F116-L120 PolarHBondContact O-N 3.18Å; K117-L120 CarbonylContact O-C 3.6Å; K117-L120 PolarHBondContact O-N 3.06Å; K118-L120 VanDerWaalsContact C-N 3.34Å; K118-L120 PolarHBondContact O-N 2.85Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-N123 CarbonylContact O-C 3.42Å; L120-P124 VanDerWaalsContact O-CA 3.27Å; L120-P124 WeakPolarHBondContact O-CA 3.46Å; L120-P124 WeakPolarHBondContact O-CD 3.42Å; L120-P124 WeakPolarHBondContact O-CG 3.46Å; L120-P124 VanDerWaalsContact O-N 3.12Å; L120-F126 HydrophobicContact CD2-CB 4.42Å; L120-F126 WeakPolarHBondContact CD2-O 3.45Å; L120-A129 HydrophobicContact CD2-CB 3.93Å; L120-A129 HydrophobicContact CG-CB 4.14Å; L120-T130 WeakPolarHBondContact CD2-OG1 3.29Å |
| 121 | D | 98.6 | Very high | 98.5 | Very high | 124 Ų | 124 | 61 Ų | 61 | 66% | 0.663 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.4 | -38.2 | 171.8 | -69.6 | -20.4 | 0 | 0 | 0 | 111.4 | K117 K118 | K117-D121 PolarHBondContact O-N 3.2Å; K118-D121 PolarHBondContact O-N 2.87Å |
| 122 | L | 98.4 | Very high | 98.5 | Very high | 59 Ų | 59 | 58.2 Ų | 58.2 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -78.5 | -41.4 | 177.6 | -67.5 | 173.6 | 0 | 0 | 0 | 112 | N91 E93 Y96 K118 V119 L120 | N91-L122 HydrophobicContact CB-CD2 4.2Å; E93-L122 HydrophobicContact CB-CB 3.99Å; E93-L122 HydrophobicContact CB-CD1 3.91Å; Y96-L122 HydrophobicContact CD2-CD1 4.16Å; Y96-L122 HydrophobicContact CE2-CD1 3.93Å; K118-L122 HydrophobicContact CG-CD1 4.44Å; K118-L122 WeakPolarHBondContact O-CG 3.07Å; K118-L122 PolarHBondContact O-N 3Å; K118-L122 VanDerWaalsContact O-N 3.12Å; V119-L122 PolarHBondContact O-N 3.08Å; L120-L122 VanDerWaalsContact C-N 3.34Å |
| 123 | N | 98.2 | Very high | 98.5 | Very high | 54 Ų | 54 | 59.6 Ų | 59.6 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | trans | -139.8 | 88.5 | -176.9 | -175.8 | -7.9 | 0 | 0 | 0 | 110.4 | E93 V119 L120 G125 F126 | E93-N123 HydrophobicContact CG-CB 4.14Å; E93-N123 PolarHBondContact OE1-ND2 3.26Å; V119-N123 PolarHBondContact O-N 2.94Å; L120-N123 CarbonylContact O-C 3.42Å; N123-G125 PolarHBondContact O-N 3.03Å; N123-G125 PolarHBondContact OD1-N 3.02Å; N123-F126 HydrophobicContact CB-CB 4.44Å; N123-F126 WeakPolarHBondContact O-CB 3.39Å; N123-F126 PolarHBondContact O-N 3.01Å; N123-F126 VanDerWaalsContact O-N 3.08Å | ||
| 124 | P | 98.2 | Very high | 98.5 | Very high | 106 Ų | 106 | 64.9 Ų | 64.9 | 69% | 0.688 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17.4 | 179.8 | -25.4 | 33.7 | 0 | 0 | 0 | 114.5 | L120 | L120-P124 VanDerWaalsContact O-CA 3.27Å; L120-P124 WeakPolarHBondContact O-CA 3.46Å; L120-P124 WeakPolarHBondContact O-CD 3.42Å; L120-P124 WeakPolarHBondContact O-CG 3.46Å; L120-P124 VanDerWaalsContact O-N 3.12Å |
| 125 | G | 97.8 | Very high | 98.5 | Very high | 55 Ų | 55 | 62.4 Ų | 62.4 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N123 Q127 | N123-G125 PolarHBondContact O-N 3.03Å; N123-G125 PolarHBondContact OD1-N 3.02Å; G125-Q127 PolarHBondContact O-N 3.21Å |
| 126 | F | 98.1 | Very high | 98.4 | Very high | 38 Ų | 38 | 62.2 Ų | 62.2 | 17% | 0.167 | 33% | 0.329 | C | S | . | . | trans | -73.3 | 91.1 | -178 | -152.4 | -34.9 | 0 | 0 | 0 | 111 | E93 Y97 V119 L120 N123 D128 A129 T130 | E93-F126 HydrophobicContact CG-CD2 3.9Å; E93-F126 HydrophobicContact CG-CE2 4.01Å; Y97-F126 HydrophobicContact CD1-CE1 4.47Å; Y97-F126 HydrophobicContact CD1-CZ 4.03Å; Y97-F126 HydrophobicContact CE1-CZ 4.49Å; Y97-F126 HydrophobicContact CG-CZ 4.12Å; V119-F126 HydrophobicContact CG1-CB 3.89Å; V119-F126 HydrophobicContact CG1-CD2 3.26Å; V119-F126 HydrophobicContact CG1-CE2 3.9Å; V119-F126 HydrophobicContact CG1-CG 3.71Å; L120-F126 HydrophobicContact CD2-CB 4.42Å; L120-F126 WeakPolarHBondContact CD2-O 3.45Å; N123-F126 HydrophobicContact CB-CB 4.44Å; N123-F126 WeakPolarHBondContact O-CB 3.39Å; N123-F126 PolarHBondContact O-N 3.01Å; N123-F126 VanDerWaalsContact O-N 3.08Å; F126-D128 HydrophobicContact CD1-CB 4.12Å; F126-D128 HydrophobicContact CE1-CB 3.87Å; F126-D128 PolarHBondContact O-N 3.49Å; F126-A129 HydrophobicContact CB-CB 4.16Å; F126-A129 HydrophobicContact CD1-CB 4.24Å; F126-A129 HydrophobicContact CG-CB 4.15Å; F126-A129 PolarHBondContact O-N 3.46Å; F126-T130 PolarHBondContact O-N 2.87Å | ||
| 127 | Q | 98 | Very high | 98.4 | Very high | 152 Ų | 152 | 65.3 Ų | 65.3 | 71% | 0.71 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60 | -42.7 | -174.4 | -64 | -179.6 | 17.5 | 0 | 0 | 112.7 | G125 A129 T130 L131 | G125-Q127 PolarHBondContact O-N 3.21Å; Q127-A129 VanDerWaalsContact C-N 3.31Å; Q127-A129 PolarHBondContact O-N 3.21Å; Q127-T130 WeakPolarHBondContact O-CB 3.41Å; Q127-T130 PolarHBondContact O-N 3.24Å; Q127-T130 VanDerWaalsContact O-N 3.1Å; Q127-L131 WeakPolarHBondContact O-CG 3.13Å; Q127-L131 PolarHBondContact O-N 2.99Å |
| 128 | D | 98.2 | Very high | 98.4 | Very high | 84 Ų | 84 | 64.5 Ų | 64.5 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.4 | -35.5 | -178.8 | -59.3 | -21.6 | 0 | 0 | 0 | 112.5 | Y97 F126 L131 S132 | Y97-D128 HydrophobicContact CE2-CB 4.13Å; Y97-D128 WeakPolarHBondContact OH-CB 3.36Å; F126-D128 HydrophobicContact CD1-CB 4.12Å; F126-D128 HydrophobicContact CE1-CB 3.87Å; F126-D128 PolarHBondContact O-N 3.49Å; D128-L131 PolarHBondContact O-N 3.4Å; D128-S132 VanDerWaalsContact O-CB 3.29Å; D128-S132 WeakPolarHBondContact O-CB 3.18Å; D128-S132 PolarHBondContact O-N 2.9Å; D128-S132 PolarHBondContact O-OG 2.59Å |
| 129 | A | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.5 | -38.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y97 V119 L120 F126 Q127 L131 S132 L133 | Y97-A129 HydrophobicContact CD2-CB 4.08Å; Y97-A129 HydrophobicContact CE2-CB 4.42Å; V119-A129 HydrophobicContact CB-CB 3.94Å; V119-A129 HydrophobicContact CG1-CB 3.52Å; L120-A129 HydrophobicContact CD2-CB 3.93Å; L120-A129 HydrophobicContact CG-CB 4.14Å; F126-A129 HydrophobicContact CB-CB 4.16Å; F126-A129 HydrophobicContact CD1-CB 4.24Å; F126-A129 HydrophobicContact CG-CB 4.15Å; F126-A129 PolarHBondContact O-N 3.46Å; Q127-A129 VanDerWaalsContact C-N 3.31Å; Q127-A129 PolarHBondContact O-N 3.21Å; A129-L131 PolarHBondContact O-N 3.47Å; A129-S132 PolarHBondContact O-N 2.94Å; A129-L133 VanDerWaalsContact O-CB 3.26Å; A129-L133 WeakPolarHBondContact O-CB 3.38Å; A129-L133 PolarHBondContact O-N 2.94Å |
| 130 | T | 98.5 | Very high | 98.2 | Very high | 44 Ų | 44 | 64.6 Ų | 64.6 | 27% | 0.27 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 174.1 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | L120 F126 Q127 K134 | L120-T130 WeakPolarHBondContact CD2-OG1 3.29Å; F126-T130 PolarHBondContact O-N 2.87Å; Q127-T130 WeakPolarHBondContact O-CB 3.41Å; Q127-T130 PolarHBondContact O-N 3.24Å; Q127-T130 VanDerWaalsContact O-N 3.1Å; T130-K134 HydrophobicContact CG2-CD 4.44Å; T130-K134 WeakPolarHBondContact O-CG 3.41Å; T130-K134 PolarHBondContact O-N 3.3Å |
| 131 | L | 98.6 | Very high | 98.1 | Very high | 109 Ų | 109 | 67.5 Ų | 67.5 | 57% | 0.571 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.3 | -46.1 | 177.6 | -66.1 | 175.3 | 0 | 0 | 0 | 111.2 | Q127 D128 A129 L133 K134 Q135 | Q127-L131 WeakPolarHBondContact O-CG 3.13Å; Q127-L131 PolarHBondContact O-N 2.99Å; D128-L131 PolarHBondContact O-N 3.4Å; A129-L131 PolarHBondContact O-N 3.47Å; L131-L133 PolarHBondContact O-N 3.27Å; L131-K134 PolarHBondContact O-N 3.48Å; L131-Q135 WeakPolarHBondContact O-CB 3.4Å; L131-Q135 PolarHBondContact O-N 3.07Å |
| 132 | S | 98.6 | Very high | 98 | Very high | 20 Ų | 20 | 65 Ų | 65 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 179.9 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | D128 A129 Q135 T136 | D128-S132 VanDerWaalsContact O-CB 3.29Å; D128-S132 WeakPolarHBondContact O-CB 3.18Å; D128-S132 PolarHBondContact O-N 2.9Å; D128-S132 PolarHBondContact O-OG 2.59Å; A129-S132 PolarHBondContact O-N 2.94Å; S132-Q135 PolarHBondContact O-N 3.29Å; S132-T136 VanDerWaalsContact O-CB 3.31Å; S132-T136 WeakPolarHBondContact O-CB 3.29Å; S132-T136 PolarHBondContact O-N 3.44Å; S132-T136 PolarHBondContact O-OG1 2.79Å |
| 133 | L | 98.5 | Very high | 97.7 | Very high | 30 Ų | 30 | 66.3 Ų | 66.3 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.4 | -50.5 | 173.7 | -175.5 | 101.1 | 0 | 0 | 0 | 111.5 | L113 F116 K117 A129 L131 Q135 T136 I137 | L113-L133 HydrophobicContact CD2-CD1 3.87Å; L113-L133 HydrophobicContact CD2-CG 4.08Å; F116-L133 HydrophobicContact CB-CB 4.15Å; F116-L133 HydrophobicContact CB-CD1 3.94Å; K117-L133 HydrophobicContact CG-CD1 3.59Å; A129-L133 VanDerWaalsContact O-CB 3.26Å; A129-L133 WeakPolarHBondContact O-CB 3.38Å; A129-L133 PolarHBondContact O-N 2.94Å; L131-L133 PolarHBondContact O-N 3.27Å; L133-Q135 PolarHBondContact O-N 3Å; L133-T136 PolarHBondContact O-N 3.14Å; L133-I137 HydrophobicContact CD2-CD1 4.39Å; L133-I137 HydrophobicContact CG-CD1 4.35Å; L133-I137 WeakPolarHBondContact O-CG1 3.16Å; L133-I137 PolarHBondContact O-N 3.39Å; L133-I137 VanDerWaalsContact O-N 3.08Å |
| 134 | K | 98.5 | Very high | 97.5 | Very high | 124 Ų | 124 | 68.7 Ų | 68.7 | 54% | 0.539 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 179.3 | -72.7 | 174.4 | -177.5 | 178.7 | 0 | 111.5 | T130 L131 T136 I137 L138 | T130-K134 HydrophobicContact CG2-CD 4.44Å; T130-K134 WeakPolarHBondContact O-CG 3.41Å; T130-K134 PolarHBondContact O-N 3.3Å; L131-K134 PolarHBondContact O-N 3.48Å; K134-T136 VanDerWaalsContact C-N 3.35Å; K134-T136 PolarHBondContact O-N 3.12Å; K134-I137 PolarHBondContact O-N 2.93Å; K134-L138 WeakPolarHBondContact O-CG 3.04Å; K134-L138 PolarHBondContact O-N 2.9Å |
| 135 | Q | 98.4 | Very high | 97.3 | Very high | 85 Ų | 85 | 71 Ų | 71 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 178 | -174.6 | 58.4 | 51.2 | 0 | 0 | 111.2 | Y104 L131 S132 L133 I137 L138 D139 | Y104-Q135 HydrophobicContact CE2-CG 4.37Å; L131-Q135 WeakPolarHBondContact O-CB 3.4Å; L131-Q135 PolarHBondContact O-N 3.07Å; S132-Q135 PolarHBondContact O-N 3.29Å; L133-Q135 PolarHBondContact O-N 3Å; Q135-I137 VanDerWaalsContact C-N 3.3Å; Q135-I137 PolarHBondContact O-N 3.36Å; Q135-L138 PolarHBondContact O-N 3.17Å; Q135-L138 VanDerWaalsContact O-N 3.12Å; Q135-D139 WeakPolarHBondContact CG-OD2 3.5Å; Q135-D139 PolarHBondContact NE2-OD1 3.4Å; Q135-D139 PolarHBondContact NE2-OD2 3.42Å; Q135-D139 PolarHBondContact O-N 3.4Å |
| 136 | T | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.4 | -38.3 | 179.6 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | Y104 F109 A112 L113 F116 S132 L133 K134 K140 | Y104-T136 HydrophobicContact CD2-CG2 4.08Å; Y104-T136 VanDerWaalsContact CD2-OG1 3.25Å; Y104-T136 WeakPolarHBondContact CD2-OG1 3.19Å; F109-T136 HydrophobicContact CB-CG2 3.88Å; F109-T136 HydrophobicContact CD1-CG2 3.91Å; F109-T136 HydrophobicContact CG-CG2 4.24Å; A112-T136 HydrophobicContact CB-CG2 4.24Å; L113-T136 HydrophobicContact CD1-CG2 4.35Å; L113-T136 HydrophobicContact CD2-CG2 3.73Å; L113-T136 HydrophobicContact CG-CG2 3.65Å; F116-T136 WeakPolarHBondContact CE2-OG1 3.32Å; S132-T136 VanDerWaalsContact O-CB 3.31Å; S132-T136 WeakPolarHBondContact O-CB 3.29Å; S132-T136 PolarHBondContact O-N 3.44Å; S132-T136 PolarHBondContact O-OG1 2.79Å; L133-T136 PolarHBondContact O-N 3.14Å; K134-T136 VanDerWaalsContact C-N 3.35Å; K134-T136 PolarHBondContact O-N 3.12Å; T136-K140 WeakPolarHBondContact O-CB 3.41Å; T136-K140 PolarHBondContact O-N 2.91Å |
| 137 | I | 98.4 | Very high | 96.5 | Very high | 66 Ų | 66 | 75.9 Ų | 75.9 | 34% | 0.338 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 174.8 | -68.1 | 164.6 | 0 | 0 | 0 | 110.6 | L113 L133 K134 Q135 D139 K140 E141 | L113-I137 HydrophobicContact CD1-CG1 4.36Å; L113-I137 HydrophobicContact CD2-CD1 4.42Å; L113-I137 HydrophobicContact CD2-CG1 3.72Å; L133-I137 HydrophobicContact CD2-CD1 4.39Å; L133-I137 HydrophobicContact CG-CD1 4.35Å; L133-I137 WeakPolarHBondContact O-CG1 3.16Å; L133-I137 PolarHBondContact O-N 3.39Å; L133-I137 VanDerWaalsContact O-N 3.08Å; K134-I137 PolarHBondContact O-N 2.93Å; Q135-I137 VanDerWaalsContact C-N 3.3Å; Q135-I137 PolarHBondContact O-N 3.36Å; I137-D139 PolarHBondContact O-N 3.47Å; I137-K140 PolarHBondContact O-N 3.36Å; I137-E141 WeakPolarHBondContact O-CG 3.44Å; I137-E141 PolarHBondContact O-N 2.85Å |
| 138 | L | 98.2 | Very high | 96 | Very high | 96 Ų | 96 | 72.6 Ų | 72.6 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | -179.1 | -66.6 | 172.8 | 0 | 0 | 0 | 111.9 | K134 Q135 K140 E141 E142 | K134-L138 WeakPolarHBondContact O-CG 3.04Å; K134-L138 PolarHBondContact O-N 2.9Å; Q135-L138 PolarHBondContact O-N 3.17Å; Q135-L138 VanDerWaalsContact O-N 3.12Å; L138-K140 VanDerWaalsContact C-N 3.35Å; L138-K140 PolarHBondContact O-N 3.03Å; L138-E141 PolarHBondContact O-N 3.46Å; L138-E142 PolarHBondContact O-N 3.48Å |
| 139 | D | 97.6 | Very high | 95.3 | Very high | 28 Ų | 28 | 75.2 Ų | 75.2 | 15% | 0.15 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.2 | -34 | -178.5 | -65.3 | -36 | 0 | 0 | 0 | 112.4 | Y104 F109 Q135 I137 E142 K143 | Y104-D139 HydrophobicContact CE2-CB 4.45Å; Y104-D139 WeakPolarHBondContact CE2-OD2 3.39Å; Y104-D139 PolarHBondContact OH-OD2 3.41Å; F109-D139 HydrophobicContact CE1-CB 4.27Å; F109-D139 HydrophobicContact CE2-CB 4.32Å; F109-D139 HydrophobicContact CZ-CB 3.86Å; Q135-D139 WeakPolarHBondContact CG-OD2 3.5Å; Q135-D139 PolarHBondContact NE2-OD1 3.4Å; Q135-D139 PolarHBondContact NE2-OD2 3.42Å; Q135-D139 PolarHBondContact O-N 3.4Å; I137-D139 PolarHBondContact O-N 3.47Å; D139-E142 PolarHBondContact O-N 3.15Å; D139-K143 VanDerWaalsContact O-CB 3.31Å; D139-K143 WeakPolarHBondContact O-CB 3.47Å; D139-K143 PolarHBondContact O-N 2.96Å |
| 140 | K | 96.9 | Very high | 94.3 | Very high | 50 Ų | 50 | 83 Ų | 83 | 22% | 0.217 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 171.9 | -177.1 | -177.5 | 173.3 | -170.6 | 0 | 111 | F109 D110 L113 T136 I137 L138 K143 Q144 | F109-K140 HydrophobicContact CB-CB 3.96Å; F109-K140 HydrophobicContact CB-CD 4.21Å; F109-K140 HydrophobicContact CB-CG 4.13Å; F109-K140 HydrophobicContact CD2-CB 3.76Å; F109-K140 HydrophobicContact CD2-CG 4.18Å; F109-K140 HydrophobicContact CG-CB 4.1Å; D110-K140 WeakPolarHBondContact OD1-CE 3.46Å; D110-K140 IonicContact OD1-NZ 3.86Å; D110-K140 PolarHBondContact OD1-NZ 2.89Å; D110-K140 IonicContact OD2-NZ 2.93Å; L113-K140 HydrophobicContact CD1-CD 4.21Å; T136-K140 WeakPolarHBondContact O-CB 3.41Å; T136-K140 PolarHBondContact O-N 2.91Å; I137-K140 PolarHBondContact O-N 3.36Å; L138-K140 VanDerWaalsContact C-N 3.35Å; L138-K140 PolarHBondContact O-N 3.03Å; K140-K143 PolarHBondContact O-N 3.24Å; K140-Q144 VanDerWaalsContact O-CG 3.29Å; K140-Q144 WeakPolarHBondContact O-CG 3.46Å; K140-Q144 PolarHBondContact O-N 3.42Å |
| 141 | E | 96.3 | Very high | 93 | Very high | 93 Ų | 93 | 87.2 Ų | 87.2 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 177.1 | -72.2 | 176.2 | -179.8 | 0 | 0 | 112.2 | I137 L138 Q144 R145 | I137-E141 WeakPolarHBondContact O-CG 3.44Å; I137-E141 PolarHBondContact O-N 2.85Å; L138-E141 PolarHBondContact O-N 3.46Å; E141-Q144 PolarHBondContact O-N 2.64Å; E141-R145 WeakPolarHBondContact O-CG 3.29Å; E141-R145 PolarHBondContact O-N 3.27Å |
| 142 | E | 95.6 | Very high | 90.8 | Very high | 73 Ų | 73 | 94.1 Ų | 94.1 | 34% | 0.341 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 175.1 | -168.2 | -166.7 | 136.8 | 0 | 0 | 111.8 | L138 D139 Q144 R145 R146 | L138-E142 PolarHBondContact O-N 3.48Å; D139-E142 PolarHBondContact O-N 3.15Å; E142-Q144 VanDerWaalsContact C-N 3.31Å; E142-Q144 PolarHBondContact O-N 3.17Å; E142-R145 PolarHBondContact O-N 3.4Å; E142-R146 WeakPolarHBondContact O-CG 3.31Å; E142-R146 PolarHBondContact O-N 3.1Å; E142-R146 IonicContact OE1-CZ 3.72Å; E142-R146 IonicContact OE1-NE 3.24Å; E142-R146 PolarHBondContact OE1-NE 3.21Å; E142-R146 IonicContact OE1-NH1 3.47Å; E142-R146 PolarHBondContact OE1-NH1 3.32Å; E142-R146 IonicContact OE1-NH2 2.97Å; E142-R146 PolarHBondContact OE1-NH2 3.21Å |
| 143 | K | 92.9 | Very high | 90.4 | Very high | 85 Ų | 85 | 97.9 Ų | 97.9 | 37% | 0.37 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 175.3 | -176.7 | 174.9 | 177 | -179.8 | 0 | 111.1 | G107 F109 D139 K140 N147 | G107-K143 PolarHBondContact O-NZ 3.32Å; F109-K143 HydrophobicContact CD2-CD 4.11Å; F109-K143 HydrophobicContact CE2-CB 4.15Å; F109-K143 HydrophobicContact CE2-CD 3.59Å; D139-K143 VanDerWaalsContact O-CB 3.31Å; D139-K143 WeakPolarHBondContact O-CB 3.47Å; D139-K143 PolarHBondContact O-N 2.96Å; K140-K143 PolarHBondContact O-N 3.24Å; K143-N147 PolarHBondContact O-N 2.92Å; K143-N147 VanDerWaalsContact O-N 3.11Å; K143-N147 PolarHBondContact O-ND2 3.48Å; K143-N147 PolarHBondContact O-OD1 2.92Å |
| 144 | Q | 93.1 | Very high | 90 | Very high | 104 Ų | 104 | 101.4 Ų | 101.4 | 49% | 0.486 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 176.4 | -72.9 | 174.3 | -4 | 0 | 0 | 112.1 | K140 E141 E142 R146 N147 V148 | K140-Q144 VanDerWaalsContact O-CG 3.29Å; K140-Q144 WeakPolarHBondContact O-CG 3.46Å; K140-Q144 PolarHBondContact O-N 3.42Å; E141-Q144 PolarHBondContact O-N 2.64Å; E142-Q144 VanDerWaalsContact C-N 3.31Å; E142-Q144 PolarHBondContact O-N 3.17Å; Q144-R146 PolarHBondContact O-N 3.1Å; Q144-N147 WeakPolarHBondContact O-CB 3.32Å; Q144-N147 PolarHBondContact O-N 3.4Å; Q144-V148 WeakPolarHBondContact O-CG2 3.49Å; Q144-V148 PolarHBondContact O-N 2.94Å; Q144-V148 VanDerWaalsContact O-N 3.07Å |
| 145 | R | 94 | Very high | 89.5 | Confident | 156 Ų | 156 | 100.2 Ų | 100.2 | 59% | 0.589 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.4 | -48.3 | 177.4 | -76.4 | -174.2 | -71.5 | 166.5 | -2.3 | 112.4 | E141 E142 N147 V148 E149 | E141-R145 WeakPolarHBondContact O-CG 3.29Å; E141-R145 PolarHBondContact O-N 3.27Å; E142-R145 PolarHBondContact O-N 3.4Å; R145-N147 PolarHBondContact O-N 3.42Å; R145-V148 WeakPolarHBondContact O-CB 3.22Å; R145-V148 PolarHBondContact O-N 2.75Å; R145-V148 VanDerWaalsContact O-N 3.08Å; R145-E149 PolarHBondContact O-N 3.47Å |
| 146 | R | 91.4 | Very high | 89 | Confident | 114 Ų | 114 | 101.1 Ų | 101.1 | 43% | 0.43 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.4 | -33.9 | 177.2 | -72.9 | -175.7 | -67.6 | -164 | -7.1 | 112.9 | E142 Q144 K150 | E142-R146 WeakPolarHBondContact O-CG 3.31Å; E142-R146 PolarHBondContact O-N 3.1Å; E142-R146 IonicContact OE1-CZ 3.72Å; E142-R146 IonicContact OE1-NE 3.24Å; E142-R146 PolarHBondContact OE1-NE 3.21Å; E142-R146 IonicContact OE1-NH1 3.47Å; E142-R146 PolarHBondContact OE1-NH1 3.32Å; E142-R146 IonicContact OE1-NH2 2.97Å; E142-R146 PolarHBondContact OE1-NH2 3.21Å; Q144-R146 PolarHBondContact O-N 3.1Å; R146-K150 VanDerWaalsContact O-CG 3.3Å; R146-K150 WeakPolarHBondContact O-CG 3.2Å; R146-K150 PolarHBondContact O-N 2.96Å |
| 147 | N | 87.1 | Confident | 88.4 | Confident | 80 Ų | 80 | 107.4 Ų | 107.4 | 43% | 0.428 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.1 | -37.8 | 176.3 | -70.5 | -12.6 | 0 | 0 | 0 | 111.5 | K143 Q144 R145 N151 | K143-N147 PolarHBondContact O-N 2.92Å; K143-N147 VanDerWaalsContact O-N 3.11Å; K143-N147 PolarHBondContact O-ND2 3.48Å; K143-N147 PolarHBondContact O-OD1 2.92Å; Q144-N147 WeakPolarHBondContact O-CB 3.32Å; Q144-N147 PolarHBondContact O-N 3.4Å; R145-N147 PolarHBondContact O-N 3.42Å; N147-N151 VanDerWaalsContact O-CG 3.22Å; N147-N151 PolarHBondContact O-ND2 3.01Å |
| 148 | V | 89.2 | Confident | 87.8 | Confident | 83 Ų | 83 | 110.1 Ų | 110.1 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 175.5 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | Q144 R145 K150 N151 Y152 | Q144-V148 WeakPolarHBondContact O-CG2 3.49Å; Q144-V148 PolarHBondContact O-N 2.94Å; Q144-V148 VanDerWaalsContact O-N 3.07Å; R145-V148 WeakPolarHBondContact O-CB 3.22Å; R145-V148 PolarHBondContact O-N 2.75Å; R145-V148 VanDerWaalsContact O-N 3.08Å; V148-K150 VanDerWaalsContact C-N 3.28Å; V148-K150 PolarHBondContact O-N 3.45Å; V148-N151 PolarHBondContact O-N 3.01Å; V148-N151 VanDerWaalsContact O-N 3.09Å; V148-Y152 HydrophobicContact CG1-CD2 4.41Å; V148-Y152 HydrophobicContact CG1-CE2 3.89Å; V148-Y152 VanDerWaalsContact O-CD2 3.31Å; V148-Y152 WeakPolarHBondContact O-CD2 3.38Å |
| 149 | E | 83.7 | Confident | 87 | Confident | 139 Ų | 139 | 111.1 Ų | 111.1 | 65% | 0.65 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.1 | -30.9 | -179.7 | -70.2 | 171.7 | 176.9 | 0 | 0 | 113.7 | R145 N151 | R145-E149 PolarHBondContact O-N 3.47Å; E149-N151 VanDerWaalsContact C-N 3.29Å |
| 150 | K | 77.4 | Confident | 86.2 | Confident | 163 Ų | 163 | 117.5 Ų | 117.5 | 71% | 0.709 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -12.8 | 176.9 | -73.9 | 176.8 | -178.8 | -177 | 0 | 114.2 | R146 V148 | R146-K150 VanDerWaalsContact O-CG 3.3Å; R146-K150 WeakPolarHBondContact O-CG 3.2Å; R146-K150 PolarHBondContact O-N 2.96Å; V148-K150 VanDerWaalsContact C-N 3.28Å; V148-K150 PolarHBondContact O-N 3.45Å |
| 151 | N | 69.2 | Low | 85.3 | Confident | 133 Ų | 133 | 123.2 Ų | 123.2 | 71% | 0.711 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 9.3 | -175.6 | -70.4 | -27.1 | 0 | 0 | 0 | 113.2 | N147 V148 E149 | N147-N151 VanDerWaalsContact O-CG 3.22Å; N147-N151 PolarHBondContact O-ND2 3.01Å; V148-N151 PolarHBondContact O-N 3.01Å; V148-N151 VanDerWaalsContact O-N 3.09Å; E149-N151 VanDerWaalsContact C-N 3.29Å |
| 152 | Y | 54 | Low | 84.3 | Confident | 255 Ų | 255 | 125.9 Ų | 125.9 | 100% | 1 | 57% | 0.565 | S | S | * | * | trans | -118.7 | 0 | 171.5 | -73 | -84.5 | 0 | 0 | 0 | 110.2 | V148 | V148-Y152 HydrophobicContact CG1-CD2 4.41Å; V148-Y152 HydrophobicContact CG1-CE2 3.89Å; V148-Y152 VanDerWaalsContact O-CD2 3.31Å; V148-Y152 WeakPolarHBondContact O-CD2 3.38Å |
Retrieved 152 of 152 residues in 146.8 ms
(Link to these results)