| 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 | 34.6 | Very low | 31.6 | Very low | 244 Ų | 244 | 170.8 Ų | 170.8 | 100% | 1.202 | 85% | 0.849 | S | S | * | * | 0 | 51.1 | 0 | -144.6 | 175.5 | 179.6 | 0 | 0 | 110.4 | |||||
| 2 | F | 31.3 | Very low | 31.6 | Very low | 215 Ų | 215 | 168.4 Ų | 168.4 | 94% | 0.943 | 82% | 0.823 | S | S | * | * | trans | -107.2 | 91.7 | -177 | -81.5 | -83.8 | 0 | 0 | 0 | 109.2 | ||||
| 3 | G | 33.2 | Very low | 32.3 | Very low | 71 Ų | 71 | 159.9 Ų | 159.9 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | -88.1 | 114.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R5 | G3-R5 PolarHBondContact O-N 3.13Š| ||
| 4 | K | 31.7 | Very low | 33.6 | Very low | 201 Ų | 201 | 160.7 Ų | 160.7 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -53.9 | 124.1 | 165.2 | -74.6 | 175.5 | 174.3 | 177.1 | 0 | 109.5 | ||||
| 5 | R | 34.7 | Very low | 34.2 | Very low | 239 Ų | 239 | 156.1 Ų | 156.1 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -117.4 | 110 | 163.8 | -94.3 | -171.6 | -92.7 | 176.5 | -6.7 | 109.4 | G3 F7 | G3-R5 PolarHBondContact O-N 3.13Å; R5-F7 PolarHBondContact O-N 3.06Å | ||
| 6 | N | 27.3 | Very low | 34.6 | Very low | 154 Ų | 154 | 152.5 Ų | 152.5 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | -60 | 124.6 | 169 | -67.2 | -29.5 | 0 | 0 | 0 | 109.2 | V8 | N6-V8 PolarHBondContact O-N 3.22Š| ||
| 7 | F | 32.1 | Very low | 35.3 | Very low | 189 Ų | 189 | 146.3 Ų | 146.3 | 83% | 0.829 | 73% | 0.731 | S | S | * | * | trans | -85.4 | 103.7 | 170.3 | -115.8 | -90.8 | 0 | 0 | 0 | 108.5 | R5 | R5-F7 PolarHBondContact O-N 3.06Š| ||
| 8 | V | 29 | Very low | 35.7 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 71% | 0.709 | 71% | 0.71 | S | S | * | * | trans | -80.4 | 118.7 | 162.7 | 176.7 | 0 | 0 | 0 | 0 | 106.6 | N6 T10 | N6-V8 PolarHBondContact O-N 3.22Å; V8-T10 PolarHBondContact O-N 2.83Å | ||
| 9 | Y | 30.6 | Very low | 35.9 | Very low | 216 Ų | 216 | 139.4 Ų | 139.4 | 85% | 0.847 | 70% | 0.702 | S | S | * | * | trans | -73.4 | 106.6 | 172.7 | -96.8 | -94 | 0 | 0 | 0 | 109.2 | ||||
| 10 | T | 29.1 | Very low | 36.2 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 63% | 0.632 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -96 | 134.4 | 162.2 | 47.7 | 0 | 0 | 0 | 0 | 109.1 | V8 | V8-T10 PolarHBondContact O-N 2.83Š|
| 11 | P | 34.2 | Very low | 36.5 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 84% | 0.844 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 138.8 | 173.7 | -12.6 | 26.4 | 0 | 0 | 0 | 110 | ||
| 12 | W | 31.9 | Very low | 36.7 | Very low | 142 Ų | 142 | 122 Ų | 122 | 54% | 0.538 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -73.8 | 149.7 | -177.6 | -60.7 | 88.6 | 0 | 0 | 0 | 111.6 | E17 K20 | W12-E17 HydrophobicContact CB-CG 3.98Å; W12-K20 VanDerWaalsContact CZ3-NZ 3.3Å |
| 13 | A | 40.2 | Very low | 37 | Very low | 58 Ų | 58 | 117.7 Ų | 117.7 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 136.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | S15 E16 | A13-S15 PolarHBondContact O-N 2.92Å; A13-E16 PolarHBondContact O-N 2.87Å |
| 14 | K | 50.1 | Low | 37.6 | Very low | 171 Ų | 171 | 116.4 Ų | 116.4 | 74% | 0.743 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -49.3 | -31.4 | -176.4 | -80 | -179.8 | 177.5 | 175.9 | 0 | 114.3 | F18 | K14-F18 WeakPolarHBondContact O-CD2 3.44Å |
| 15 | S | 43 | Very low | 38.3 | Very low | 92 Ų | 92 | 107.2 Ų | 107.2 | 64% | 0.643 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.6 | -29.9 | 179.2 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | A13 S19 | A13-S15 PolarHBondContact O-N 2.92Å; S15-S19 PolarHBondContact O-N 3.3Å |
| 16 | E | 40.6 | Very low | 38.8 | Very low | 98 Ų | 98 | 100.1 Ų | 100.1 | 46% | 0.458 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -81.7 | -30.7 | -178.8 | -69.6 | -172.1 | 156.6 | 0 | 0 | 112.8 | A13 F18 S19 K20 | A13-E16 PolarHBondContact O-N 2.87Å; E16-F18 VanDerWaalsContact C-N 3.33Å; E16-F18 PolarHBondContact O-N 2.95Å; E16-S19 PolarHBondContact O-N 3.47Å; E16-K20 PolarHBondContact O-N 3.46Å |
| 17 | E | 46.6 | Very low | 39.7 | Very low | 47 Ų | 47 | 94.5 Ų | 94.5 | 22% | 0.22 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -60.2 | -44 | 173.4 | -70.7 | -177.3 | 153.9 | 0 | 0 | 111.2 | W12 S19 K20 C21 | W12-E17 HydrophobicContact CB-CG 3.98Å; E17-S19 VanDerWaalsContact C-N 3.33Å; E17-S19 PolarHBondContact O-N 3.38Å; E17-K20 PolarHBondContact O-N 2.95Å; E17-C21 WeakPolarHBondContact O-CB 3.47Å; E17-C21 PolarHBondContact O-N 3.27Å |
| 18 | F | 42.1 | Very low | 40.4 | Very low | 83 Ų | 83 | 86.5 Ų | 86.5 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.3 | -35.8 | 175.2 | -86.4 | -83 | 0 | 0 | 0 | 112.8 | K14 E16 S22 N111 | K14-F18 WeakPolarHBondContact O-CD2 3.44Å; E16-F18 VanDerWaalsContact C-N 3.33Å; E16-F18 PolarHBondContact O-N 2.95Å; F18-S22 WeakPolarHBondContact O-CB 3.49Å; F18-S22 PolarHBondContact O-N 2.77Å; F18-N111 WeakPolarHBondContact CE2-ND2 3.31Å; F18-N111 VanDerWaalsContact CZ-ND2 3.31Å; F18-N111 WeakPolarHBondContact CZ-ND2 3.33Å |
| 19 | S | 40.1 | Very low | 41.4 | Very low | 79 Ų | 79 | 86.5 Ų | 86.5 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69 | -41.2 | 178.1 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | S15 E16 E17 S22 H23 | S15-S19 PolarHBondContact O-N 3.3Å; E16-S19 PolarHBondContact O-N 3.47Å; E17-S19 VanDerWaalsContact C-N 3.33Å; E17-S19 PolarHBondContact O-N 3.38Å; S19-S22 CarbonylContact O-C 3.56Å; S19-S22 WeakPolarHBondContact O-CB 3.21Å; S19-S22 PolarHBondContact O-N 2.83Å; S19-H23 WeakPolarHBondContact O-CB 3.42Å; S19-H23 PolarHBondContact O-N 3.35Å |
| 20 | K | 41.6 | Very low | 42.3 | Very low | 106 Ų | 106 | 81.4 Ų | 81.4 | 46% | 0.461 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -72.1 | -39.9 | 176.4 | -79.6 | 178 | -178.5 | 166.3 | 0 | 112.9 | W12 E16 E17 S22 H23 C24 | W12-K20 VanDerWaalsContact CZ3-NZ 3.3Å; E16-K20 PolarHBondContact O-N 3.46Å; E17-K20 PolarHBondContact O-N 2.95Å; K20-S22 VanDerWaalsContact C-N 3.27Å; K20-S22 PolarHBondContact O-N 3.04Å; K20-H23 PolarHBondContact O-N 2.97Å; K20-C24 PolarHBondContact O-N 2.87Å |
| 21 | C | 42 | Very low | 43.6 | Very low | 12 Ų | 12 | 78.3 Ų | 78.3 | 8% | 0.081 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 172.2 | -165.1 | 0 | 0 | 0 | 0 | 110.5 | E17 H23 C24 L25 | E17-C21 WeakPolarHBondContact O-CB 3.47Å; E17-C21 PolarHBondContact O-N 3.27Å; C21-H23 PolarHBondContact O-N 2.84Å; C21-C24 PolarHBondContact O-N 3.07Å; C21-L25 WeakPolarHBondContact O-CB 3.32Å; C21-L25 WeakPolarHBondContact O-CD1 3.37Å; C21-L25 PolarHBondContact O-N 3.41Å |
| 22 | S | 40.2 | Very low | 44.8 | Very low | 40 Ų | 40 | 75.3 Ų | 75.3 | 28% | 0.28 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 171.3 | 178.3 | 0 | 0 | 0 | 0 | 112.6 | F18 S19 K20 N26 R107 | F18-S22 WeakPolarHBondContact O-CB 3.49Å; F18-S22 PolarHBondContact O-N 2.77Å; S19-S22 CarbonylContact O-C 3.56Å; S19-S22 WeakPolarHBondContact O-CB 3.21Å; S19-S22 PolarHBondContact O-N 2.83Å; K20-S22 VanDerWaalsContact C-N 3.27Å; K20-S22 PolarHBondContact O-N 3.04Å; S22-N26 WeakPolarHBondContact O-CB 3.41Å; S22-N26 PolarHBondContact O-N 3.41Å; S22-R107 PolarHBondContact O-NH2 3.44Å; S22-R107 VanDerWaalsContact O-NH2 3.1Å; S22-R107 PolarHBondContact OG-NH1 3.03Å |
| 23 | H | 37.5 | Very low | 46.4 | Very low | 124 Ų | 124 | 70.9 Ų | 70.9 | 57% | 0.574 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65.6 | -48.9 | 177.4 | -172.3 | -78.5 | 0 | 0 | 0 | 111.2 | S19 K20 C21 N26 T27 | S19-H23 WeakPolarHBondContact O-CB 3.42Å; S19-H23 PolarHBondContact O-N 3.35Å; K20-H23 PolarHBondContact O-N 2.97Å; C21-H23 PolarHBondContact O-N 2.84Å; H23-N26 PolarHBondContact O-N 3.09Å; H23-T27 WeakPolarHBondContact O-CB 3.45Å; H23-T27 PolarHBondContact O-N 3.22Å; H23-T27 PolarHBondContact O-OG1 3.06Å |
| 24 | C | 44.6 | Very low | 47.7 | Very low | 44 Ų | 44 | 72.5 Ų | 72.5 | 30% | 0.297 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.3 | -49.7 | 177.7 | -75.5 | 0 | 0 | 0 | 0 | 111.7 | K20 C21 T27 Y28 G189 | K20-C24 PolarHBondContact O-N 2.87Å; C21-C24 PolarHBondContact O-N 3.07Å; C24-T27 VanDerWaalsContact CA-OG1 3.3Å; C24-T27 WeakPolarHBondContact CA-OG1 3.46Å; C24-T27 PolarHBondContact O-N 2.98Å; C24-T27 PolarHBondContact O-OG1 3.15Å; C24-Y28 WeakPolarHBondContact O-CD2 3.46Å; C24-Y28 PolarHBondContact O-N 3.48Å; C24-G189 WeakPolarHBondContact CB-O 3.36Å; C24-G189 PolarHBondContact SG-O 2.68Å |
| 25 | L | 47.4 | Very low | 48.8 | Very low | 8 Ų | 8 | 71.5 Ų | 71.5 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.6 | -39 | -179.5 | -86.1 | 137.6 | 0 | 0 | 0 | 113.3 | C21 Y28 F29 H105 | C21-L25 WeakPolarHBondContact O-CB 3.32Å; C21-L25 WeakPolarHBondContact O-CD1 3.37Å; C21-L25 PolarHBondContact O-N 3.41Å; L25-Y28 PolarHBondContact O-N 2.97Å; L25-F29 WeakPolarHBondContact O-CD2 3.22Å; L25-H105 WeakPolarHBondContact CD2-CE1 3.18Å; L25-H105 WeakPolarHBondContact CD2-ND1 3.47Å |
| 26 | N | 43.8 | Very low | 50.4 | Low | 90 Ų | 90 | 67.7 Ų | 67.7 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.1 | -31.7 | 173.6 | -104.4 | 8.8 | 0 | 0 | 0 | 112.7 | S22 H23 Y28 F29 T30 | S22-N26 WeakPolarHBondContact O-CB 3.41Å; S22-N26 PolarHBondContact O-N 3.41Å; H23-N26 PolarHBondContact O-N 3.09Å; N26-Y28 VanDerWaalsContact C-N 3.33Å; N26-F29 PolarHBondContact O-N 3.38Å; N26-T30 WeakPolarHBondContact O-CG2 3.31Å; N26-T30 PolarHBondContact O-N 2.98Å; N26-T30 VanDerWaalsContact O-N 3.12Å; N26-T30 PolarHBondContact O-OG1 3.22Å |
| 27 | T | 46.1 | Very low | 52.4 | Low | 36 Ų | 36 | 65.1 Ų | 65.1 | 22% | 0.221 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 173.1 | 28.6 | 0 | 0 | 0 | 0 | 110.9 | H23 C24 F29 T30 M31 | H23-T27 WeakPolarHBondContact O-CB 3.45Å; H23-T27 PolarHBondContact O-N 3.22Å; H23-T27 PolarHBondContact O-OG1 3.06Å; C24-T27 VanDerWaalsContact CA-OG1 3.3Å; C24-T27 WeakPolarHBondContact CA-OG1 3.46Å; C24-T27 PolarHBondContact O-N 2.98Å; C24-T27 PolarHBondContact O-OG1 3.15Å; T27-F29 PolarHBondContact O-N 3.48Å; T27-T30 PolarHBondContact O-N 3.29Å; T27-M31 HydrophobicContact CG2-CE 4.33Å; T27-M31 VanDerWaalsContact O-CB 3.23Å; T27-M31 WeakPolarHBondContact O-CB 3.48Å; T27-M31 WeakPolarHBondContact O-CG 3.3Å; T27-M31 PolarHBondContact O-N 3.35Å |
| 28 | Y | 48.8 | Very low | 54.2 | Low | 21 Ų | 21 | 69.9 Ų | 69.9 | 8% | 0.082 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -54 | -39.7 | 173.1 | -85.7 | -72 | 0 | 0 | 0 | 113 | C24 L25 N26 H36 E43 N191 | C24-Y28 WeakPolarHBondContact O-CD2 3.46Å; C24-Y28 PolarHBondContact O-N 3.48Å; L25-Y28 PolarHBondContact O-N 2.97Å; N26-Y28 VanDerWaalsContact C-N 3.33Å; Y28-H36 AromaticContact CD1-CD2 3.69Å; Y28-H36 AromaticContact CD1-NE2 3.9Å; Y28-H36 PolarHBondContact O-CD2 2.82Å; Y28-H36 VanDerWaalsContact O-CD2 3.3Å; Y28-E43 PolarHBondContact OH-OE1 3.37Å; Y28-E43 PolarHBondContact OH-OE2 3.15Å; Y28-N191 HydrophobicContact CE2-CB 4.25Å |
| 29 | F | 48.1 | Very low | 56 | Low | 117 Ų | 117 | 69.4 Ų | 69.4 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -85.2 | -17.4 | -177.5 | -68.8 | -67.5 | 0 | 0 | 0 | 115.2 | L25 N26 T27 | L25-F29 WeakPolarHBondContact O-CD2 3.22Å; N26-F29 PolarHBondContact O-N 3.38Å; T27-F29 PolarHBondContact O-N 3.48Å |
| 30 | T | 49.7 | Very low | 58 | Low | 109 Ų | 109 | 65.7 Ų | 65.7 | 67% | 0.669 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -110.2 | -5.7 | -176.7 | 54 | 0 | 0 | 0 | 0 | 113.5 | N26 T27 | N26-T30 WeakPolarHBondContact O-CG2 3.31Å; N26-T30 PolarHBondContact O-N 2.98Å; N26-T30 VanDerWaalsContact O-N 3.12Å; N26-T30 PolarHBondContact O-OG1 3.22Å; T27-T30 PolarHBondContact O-N 3.29Å |
| 31 | M | 57.9 | Low | 60.1 | Low | 37 Ų | 37 | 61.6 Ų | 61.6 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -71 | 140.1 | -179.3 | -89.1 | 173 | 161.8 | 0 | 0 | 112.9 | T27 S33 R35 H36 Y39 | T27-M31 HydrophobicContact CG2-CE 4.33Å; T27-M31 VanDerWaalsContact O-CB 3.23Å; T27-M31 WeakPolarHBondContact O-CB 3.48Å; T27-M31 WeakPolarHBondContact O-CG 3.3Å; T27-M31 PolarHBondContact O-N 3.35Å; M31-S33 PolarHBondContact O-N 3.07Å; M31-R35 HydrophobicContact CB-CB 4.27Å; M31-R35 HydrophobicContact CG-CB 4.25Å; M31-R35 HydrophobicContact SD-CB 4.28Å; M31-H36 HydrophobicContact CB-CB 4.38Å; M31-Y39 HydrophobicContact CE-CD2 3.67Å; M31-Y39 HydrophobicContact CE-CE2 3.14Å; M31-Y39 HydrophobicContact SD-CD2 3.6Å; M31-Y39 HydrophobicContact SD-CE2 3.74Å; M31-Y39 HydrophobicContact SD-CG 4.5Å |
| 32 | S | 58.6 | Low | 62.3 | Low | 68 Ų | 68 | 67.5 Ų | 67.5 | 48% | 0.476 | 34% | 0.342 | S | S | . | . | trans | -51.7 | 139.1 | 164.3 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | S34 R35 H36 | S32-S34 PolarHBondContact O-N 3.18Å; S32-R35 PolarHBondContact O-N 3.33Å; S32-H36 PolarHBondContact O-N 3.32Å; S32-H36 VanDerWaalsContact O-N 3.14Å | ||
| 33 | S | 65.7 | Low | 64.4 | Low | 48 Ų | 48 | 67.1 Ų | 67.1 | 34% | 0.336 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -48 | -39.6 | -171.6 | 178.3 | 0 | 0 | 0 | 0 | 113.7 | M31 H36 I37 Q395 | M31-S33 PolarHBondContact O-N 3.07Å; S33-H36 PolarHBondContact O-N 2.94Å; S33-I37 WeakPolarHBondContact O-CG1 3.38Å; S33-I37 PolarHBondContact O-N 3.43Å; S33-I37 VanDerWaalsContact O-N 3.13Å; S33-Q395 VanDerWaalsContact OG-CD 3.27Å; S33-Q395 PolarHBondContact OG-NE2 3.22Å; S33-Q395 PolarHBondContact OG-OE1 3.39Å |
| 34 | S | 67.2 | Low | 66.8 | Low | 92 Ų | 92 | 61.2 Ų | 61.2 | 64% | 0.643 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.7 | -38.5 | 178.4 | -51.3 | 0 | 0 | 0 | 0 | 113.5 | S32 Y38 | S32-S34 PolarHBondContact O-N 3.18Å; S34-Y38 PolarHBondContact O-N 3.42Å |
| 35 | R | 73.6 | Confident | 68.9 | Low | 151 Ų | 151 | 61.9 Ų | 61.9 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.6 | -46.1 | 176.2 | -76.5 | -174 | -82.5 | -177.7 | -4.2 | 110 | M31 S32 I37 Y38 Y39 | M31-R35 HydrophobicContact CB-CB 4.27Å; M31-R35 HydrophobicContact CG-CB 4.25Å; M31-R35 HydrophobicContact SD-CB 4.28Å; S32-R35 PolarHBondContact O-N 3.33Å; R35-I37 VanDerWaalsContact C-N 3.34Å; R35-I37 PolarHBondContact O-N 3.28Å; R35-Y38 WeakPolarHBondContact O-CB 3.38Å; R35-Y38 PolarHBondContact O-N 3.4Å; R35-Y38 VanDerWaalsContact O-N 3.11Å; R35-Y39 HydrophobicContact CB-CE2 4.47Å; R35-Y39 WeakPolarHBondContact O-CD2 3.25Å; R35-Y39 PolarHBondContact O-N 2.94Å |
| 36 | H | 77.3 | Confident | 71 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 5% | 0.051 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -52.9 | -50.9 | 177.7 | 178.5 | -101.8 | 0 | 0 | 0 | 111.7 | Y28 M31 S32 S33 Y38 Y39 V40 D392 | Y28-H36 AromaticContact CD1-CD2 3.69Å; Y28-H36 AromaticContact CD1-NE2 3.9Å; Y28-H36 PolarHBondContact O-CD2 2.82Å; Y28-H36 VanDerWaalsContact O-CD2 3.3Å; M31-H36 HydrophobicContact CB-CB 4.38Å; S32-H36 PolarHBondContact O-N 3.32Å; S32-H36 VanDerWaalsContact O-N 3.14Å; S33-H36 PolarHBondContact O-N 2.94Å; H36-Y38 VanDerWaalsContact C-N 3.32Å; H36-Y38 PolarHBondContact O-N 3.49Å; H36-Y39 PolarHBondContact O-N 2.98Å; H36-V40 WeakPolarHBondContact O-CG2 3.48Å; H36-V40 PolarHBondContact O-N 3.47Å; H36-D392 IonicContact CE1-OD1 3.71Å; H36-D392 PolarHBondContact CE1-OD1 2.64Å; H36-D392 IonicContact ND1-OD1 3.94Å; H36-D392 PolarHBondContact ND1-OD1 2.98Å; H36-D392 IonicContact NE2-OD1 3.91Å |
| 37 | I | 81.8 | Confident | 73.3 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 23% | 0.226 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 179.2 | -64.9 | 163.7 | 0 | 0 | 0 | 111.7 | S33 R35 V40 A41 Q395 L399 | S33-I37 WeakPolarHBondContact O-CG1 3.38Å; S33-I37 PolarHBondContact O-N 3.43Å; S33-I37 VanDerWaalsContact O-N 3.13Å; R35-I37 VanDerWaalsContact C-N 3.34Å; R35-I37 PolarHBondContact O-N 3.28Å; I37-V40 PolarHBondContact O-N 3.12Å; I37-A41 WeakPolarHBondContact O-CB 3.24Å; I37-A41 PolarHBondContact O-N 2.98Å; I37-Q395 HydrophobicContact CD1-CB 3.96Å; I37-Q395 HydrophobicContact CD1-CG 4.26Å; I37-Q395 HydrophobicContact CG1-CB 4.27Å; I37-L399 HydrophobicContact CG2-CB 4.43Å; I37-L399 HydrophobicContact CG2-CD1 4.26Å; I37-L399 HydrophobicContact CG2-CD2 4.14Å |
| 38 | Y | 83.4 | Confident | 75.5 | Confident | 148 Ų | 148 | 59.8 Ų | 59.8 | 58% | 0.58 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 177.5 | 175.8 | -98.6 | 0 | 0 | 0 | 112.5 | S34 R35 H36 A41 R42 | S34-Y38 PolarHBondContact O-N 3.42Å; R35-Y38 WeakPolarHBondContact O-CB 3.38Å; R35-Y38 PolarHBondContact O-N 3.4Å; R35-Y38 VanDerWaalsContact O-N 3.11Å; H36-Y38 VanDerWaalsContact C-N 3.32Å; H36-Y38 PolarHBondContact O-N 3.49Å; Y38-A41 PolarHBondContact O-N 3.03Å; Y38-R42 WeakPolarHBondContact O-CB 3.04Å; Y38-R42 PolarHBondContact O-N 2.96Å |
| 39 | Y | 81.1 | Confident | 77.6 | Confident | 73 Ų | 73 | 61 Ų | 61 | 29% | 0.286 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.4 | -79.6 | -81.3 | 0 | 0 | 0 | 111.8 | M31 R35 H36 A41 R42 E43 | M31-Y39 HydrophobicContact CE-CD2 3.67Å; M31-Y39 HydrophobicContact CE-CE2 3.14Å; M31-Y39 HydrophobicContact SD-CD2 3.6Å; M31-Y39 HydrophobicContact SD-CE2 3.74Å; M31-Y39 HydrophobicContact SD-CG 4.5Å; R35-Y39 HydrophobicContact CB-CE2 4.47Å; R35-Y39 WeakPolarHBondContact O-CD2 3.25Å; R35-Y39 PolarHBondContact O-N 2.94Å; H36-Y39 PolarHBondContact O-N 2.98Å; Y39-A41 VanDerWaalsContact C-N 3.34Å; Y39-A41 PolarHBondContact O-N 3.15Å; Y39-R42 PolarHBondContact O-N 2.98Å; Y39-E43 PolarHBondContact O-N 2.99Å; Y39-E43 VanDerWaalsContact O-N 3.08Å |
| 40 | V | 81.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.2 | -48.8 | 174.4 | 177 | 0 | 0 | 0 | 0 | 110 | H36 I37 R42 E43 M44 V396 L399 | H36-V40 WeakPolarHBondContact O-CG2 3.48Å; H36-V40 PolarHBondContact O-N 3.47Å; I37-V40 PolarHBondContact O-N 3.12Å; V40-R42 PolarHBondContact O-N 3.15Å; V40-E43 PolarHBondContact O-N 3.37Å; V40-M44 HydrophobicContact CG1-SD 4.3Å; V40-M44 WeakPolarHBondContact O-CB 3.44Å; V40-M44 PolarHBondContact O-N 3.32Å; V40-V396 HydrophobicContact CG1-CG1 4.44Å; V40-V396 HydrophobicContact CG1-CG2 4.42Å; V40-L399 HydrophobicContact CB-CD2 4.3Å; V40-L399 HydrophobicContact CG1-CD2 3.96Å |
| 41 | A | 85.9 | Confident | 81.8 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 17% | 0.174 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60 | -44.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I37 Y38 Y39 E43 F45 L399 | I37-A41 WeakPolarHBondContact O-CB 3.24Å; I37-A41 PolarHBondContact O-N 2.98Å; Y38-A41 PolarHBondContact O-N 3.03Å; Y39-A41 VanDerWaalsContact C-N 3.34Å; Y39-A41 PolarHBondContact O-N 3.15Å; A41-E43 VanDerWaalsContact C-N 3.33Å; A41-E43 PolarHBondContact O-N 3.46Å; A41-F45 VanDerWaalsContact O-CB 3.26Å; A41-F45 WeakPolarHBondContact O-CB 3.43Å; A41-F45 PolarHBondContact O-N 2.83Å; A41-L399 HydrophobicContact CB-CD1 3.82Å; A41-L399 HydrophobicContact CB-CD2 3.75Å; A41-L399 HydrophobicContact CB-CG 4.34Å |
| 42 | R | 87.5 | Confident | 83.5 | Confident | 135 Ų | 135 | 54.5 Ų | 54.5 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.2 | -34.2 | -177.9 | -170.7 | -177.4 | 69.7 | 163.7 | 5.3 | 113 | Y38 Y39 V40 P46 | Y38-R42 WeakPolarHBondContact O-CB 3.04Å; Y38-R42 PolarHBondContact O-N 2.96Å; Y39-R42 PolarHBondContact O-N 2.98Å; V40-R42 PolarHBondContact O-N 3.15Å; R42-P46 WeakPolarHBondContact O-CD 3.47Å; R42-P46 VanDerWaalsContact O-CG 3.28Å; R42-P46 WeakPolarHBondContact O-CG 3.44Å |
| 43 | E | 85.2 | Confident | 85.2 | Confident | 33 Ų | 33 | 53.5 Ų | 53.5 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -84.3 | -43 | 176.5 | -68.4 | -177.9 | -176.8 | 0 | 0 | 111.8 | Y28 Y39 V40 A41 A47 N194 | Y28-E43 PolarHBondContact OH-OE1 3.37Å; Y28-E43 PolarHBondContact OH-OE2 3.15Å; Y39-E43 PolarHBondContact O-N 2.99Å; Y39-E43 VanDerWaalsContact O-N 3.08Å; V40-E43 PolarHBondContact O-N 3.37Å; A41-E43 VanDerWaalsContact C-N 3.33Å; A41-E43 PolarHBondContact O-N 3.46Å; E43-A47 WeakPolarHBondContact O-CB 3.31Å; E43-N194 HydrophobicContact CB-CB 3.91Å; E43-N194 PolarHBondContact OE2-ND2 3.1Å |
| 44 | M | 86.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.4 | -43.8 | -173.3 | -179.3 | 168.8 | -173 | 0 | 0 | 112.9 | V40 A47 C48 F312 M315 I400 | V40-M44 HydrophobicContact CG1-SD 4.3Å; V40-M44 WeakPolarHBondContact O-CB 3.44Å; V40-M44 PolarHBondContact O-N 3.32Å; M44-A47 PolarHBondContact O-N 3.27Å; M44-C48 WeakPolarHBondContact O-CB 3.49Å; M44-C48 PolarHBondContact O-N 2.94Å; M44-C48 PolarHBondContact O-SG 3.19Å; M44-F312 HydrophobicContact CE-CD1 3.24Å; M44-F312 HydrophobicContact CE-CE1 3.46Å; M44-F312 VanDerWaalsContact CE-CE1 3.46Å; M44-F312 HydrophobicContact CE-CG 4.46Å; M44-M315 HydrophobicContact CB-CE 4.2Å; M44-M315 HydrophobicContact CE-CE 3.69Å; M44-M315 HydrophobicContact CE-SD 3.63Å; M44-M315 HydrophobicContact CG-CE 3.58Å; M44-M315 HydrophobicContact CG-SD 4.18Å; M44-M315 HydrophobicContact SD-CE 3.73Å; M44-M315 HydrophobicContact SD-SD 4.43Å; M44-I400 HydrophobicContact CE-CD1 3.66Å; M44-I400 HydrophobicContact CE-CG1 3.45Å; M44-I400 VanDerWaalsContact CE-CG1 3.45Å; M44-I400 HydrophobicContact SD-CG1 4.14Å |
| 45 | F | 89.6 | Confident | 87.8 | Confident | 57 Ų | 57 | 47.5 Ų | 47.5 | 25% | 0.25 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -49.1 | -173.8 | -176.8 | -101.9 | 0 | 0 | 0 | 112.8 | A41 A47 C48 L49 L403 L407 I410 | A41-F45 VanDerWaalsContact O-CB 3.26Å; A41-F45 WeakPolarHBondContact O-CB 3.43Å; A41-F45 PolarHBondContact O-N 2.83Å; F45-A47 VanDerWaalsContact C-N 3.34Å; F45-A47 PolarHBondContact O-N 3.46Å; F45-C48 PolarHBondContact O-N 3.12Å; F45-L49 HydrophobicContact CE1-CD2 4.5Å; F45-L49 VanDerWaalsContact O-CB 3.31Å; F45-L49 WeakPolarHBondContact O-CB 3.17Å; F45-L49 PolarHBondContact O-N 3.04Å; F45-L403 HydrophobicContact CB-CD1 4.19Å; F45-L403 HydrophobicContact CD2-CB 4.15Å; F45-L403 HydrophobicContact CD2-CD1 4.26Å; F45-L403 HydrophobicContact CD2-CD2 3.76Å; F45-L403 HydrophobicContact CD2-CG 4.27Å; F45-L403 HydrophobicContact CE2-CD2 4.27Å; F45-L403 HydrophobicContact CG-CD2 4.33Å; F45-L407 HydrophobicContact CE2-CB 4.45Å; F45-I410 HydrophobicContact CZ-CD1 4.36Å |
| 46 | P | 91 | Very high | 88.8 | Confident | 71 Ų | 71 | 40.3 Ų | 40.3 | 46% | 0.461 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 177.2 | -22 | 35 | 0 | 0 | 0 | 112.7 | R42 L49 L50 | R42-P46 WeakPolarHBondContact O-CD 3.47Å; R42-P46 VanDerWaalsContact O-CG 3.28Å; R42-P46 WeakPolarHBondContact O-CG 3.44Å; P46-L49 PolarHBondContact O-N 3.13Å; P46-L50 WeakPolarHBondContact O-CB 3.46Å; P46-L50 PolarHBondContact O-N 2.99Å |
| 47 | A | 91.1 | Very high | 89.7 | Confident | 16 Ų | 16 | 42 Ų | 42 | 13% | 0.132 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E43 M44 F45 A51 N194 P198 | E43-A47 WeakPolarHBondContact O-CB 3.31Å; M44-A47 PolarHBondContact O-N 3.27Å; F45-A47 VanDerWaalsContact C-N 3.34Å; F45-A47 PolarHBondContact O-N 3.46Å; A47-A51 WeakPolarHBondContact O-CB 3.28Å; A47-A51 PolarHBondContact O-N 3.24Å; A47-N194 WeakPolarHBondContact CB-O 3.27Å; A47-P198 HydrophobicContact CB-CB 4.03Å; A47-P198 HydrophobicContact CB-CG 4.07Å |
| 48 | C | 92.4 | Very high | 90.2 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.3 | -34.6 | 177.1 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | M44 F45 A51 G52 F312 L407 | M44-C48 WeakPolarHBondContact O-CB 3.49Å; M44-C48 PolarHBondContact O-N 2.94Å; M44-C48 PolarHBondContact O-SG 3.19Å; F45-C48 PolarHBondContact O-N 3.12Å; C48-A51 PolarHBondContact O-N 2.78Å; C48-G52 PolarHBondContact O-N 3.27Å; C48-F312 HydrophobicContact CB-CE1 4.04Å; C48-F312 HydrophobicContact CB-CZ 4.33Å; C48-F312 VanDerWaalsContact SG-CE1 3.54Å; C48-L407 HydrophobicContact CB-CD2 4.22Å |
| 49 | L | 93.7 | Very high | 90.6 | Very high | 47 Ų | 47 | 32.9 Ų | 32.9 | 25% | 0.246 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.3 | -50.8 | 174.6 | 180 | 64 | 0 | 0 | 0 | 110.9 | F45 P46 A51 G52 V53 L407 I410 | F45-L49 HydrophobicContact CE1-CD2 4.5Å; F45-L49 VanDerWaalsContact O-CB 3.31Å; F45-L49 WeakPolarHBondContact O-CB 3.17Å; F45-L49 PolarHBondContact O-N 3.04Å; P46-L49 PolarHBondContact O-N 3.13Å; L49-A51 PolarHBondContact O-N 3.14Å; L49-G52 PolarHBondContact O-N 2.97Å; L49-V53 WeakPolarHBondContact O-CG2 3.49Å; L49-V53 PolarHBondContact O-N 3Å; L49-L407 HydrophobicContact CB-CD1 4.09Å; L49-L407 HydrophobicContact CD1-CD1 3.75Å; L49-I410 HydrophobicContact CD1-CB 4.31Å; L49-I410 HydrophobicContact CD1-CD1 4.47Å; L49-I410 HydrophobicContact CD1-CG2 3.72Å |
| 50 | L | 92.9 | Very high | 91.1 | Very high | 125 Ų | 125 | 29.5 Ų | 29.5 | 65% | 0.654 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -57.7 | -40.9 | 175.7 | -178 | 63.3 | 0 | 0 | 0 | 111 | P46 V53 G54 | P46-L50 WeakPolarHBondContact O-CB 3.46Å; P46-L50 PolarHBondContact O-N 2.99Å; L50-V53 PolarHBondContact O-N 3.42Å; L50-G54 PolarHBondContact O-N 2.88Å |
| 51 | A | 92.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A47 C48 L49 V53 G54 M55 P198 A202 I311 | A47-A51 WeakPolarHBondContact O-CB 3.28Å; A47-A51 PolarHBondContact O-N 3.24Å; C48-A51 PolarHBondContact O-N 2.78Å; L49-A51 PolarHBondContact O-N 3.14Å; A51-V53 VanDerWaalsContact C-N 3.28Å; A51-V53 PolarHBondContact O-N 3.33Å; A51-G54 PolarHBondContact O-N 2.99Å; A51-G54 VanDerWaalsContact O-N 3.15Å; A51-M55 WeakPolarHBondContact O-CG 3.27Å; A51-M55 PolarHBondContact O-N 3.01Å; A51-P198 HydrophobicContact CB-CB 3.88Å; A51-P198 WeakPolarHBondContact CB-O 3.45Å; A51-A202 VanDerWaalsContact CA-CB 3.42Å; A51-A202 HydrophobicContact CB-CB 3.77Å; A51-I311 HydrophobicContact CB-CD1 3.88Å |
| 52 | G | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.8 | -43.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C48 L49 M55 V56 | C48-G52 PolarHBondContact O-N 3.27Å; L49-G52 PolarHBondContact O-N 2.97Å; G52-M55 PolarHBondContact O-N 3.46Å; G52-V56 VanDerWaalsContact O-CG2 3.3Å; G52-V56 WeakPolarHBondContact O-CG2 3.46Å; G52-V56 PolarHBondContact O-N 3.45Å |
| 53 | V | 94.3 | Very high | 91.7 | Very high | 46 Ų | 46 | 24.8 Ų | 24.8 | 28% | 0.279 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -61.4 | -45.9 | 176.2 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | L49 L50 A51 M55 V56 V57 L411 V414 | L49-V53 WeakPolarHBondContact O-CG2 3.49Å; L49-V53 PolarHBondContact O-N 3Å; L50-V53 PolarHBondContact O-N 3.42Å; A51-V53 VanDerWaalsContact C-N 3.28Å; A51-V53 PolarHBondContact O-N 3.33Å; V53-M55 VanDerWaalsContact C-N 3.33Å; V53-M55 PolarHBondContact O-N 3.4Å; V53-V56 WeakPolarHBondContact O-CB 3.49Å; V53-V56 PolarHBondContact O-N 3.45Å; V53-V57 WeakPolarHBondContact O-CG2 3.31Å; V53-V57 PolarHBondContact O-N 3.4Å; V53-L411 HydrophobicContact CG2-CD2 4.28Å; V53-V414 HydrophobicContact CG1-CG1 4.21Å; V53-V414 HydrophobicContact CG2-CG1 4.24Å; V53-V414 HydrophobicContact CG2-CG2 4.41Å |
| 54 | G | 93.8 | Very high | 91.7 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 16% | 0.155 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.4 | -42.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L50 A51 V57 A58 | L50-G54 PolarHBondContact O-N 2.88Å; A51-G54 PolarHBondContact O-N 2.99Å; A51-G54 VanDerWaalsContact O-N 3.15Å; G54-V57 PolarHBondContact O-N 2.89Å; G54-A58 PolarHBondContact O-N 2.94Å |
| 55 | M | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.7 | -36.5 | 176.8 | -66.4 | -178.2 | -62.6 | 0 | 0 | 112.6 | A51 G52 V53 A58 G59 D205 V303 P304 G307 V308 I311 | A51-M55 WeakPolarHBondContact O-CG 3.27Å; A51-M55 PolarHBondContact O-N 3.01Å; G52-M55 PolarHBondContact O-N 3.46Å; V53-M55 VanDerWaalsContact C-N 3.33Å; V53-M55 PolarHBondContact O-N 3.4Å; M55-A58 PolarHBondContact O-N 3.31Å; M55-G59 PolarHBondContact O-N 3.45Å; M55-D205 HydrophobicContact CG-CB 4.36Å; M55-D205 WeakPolarHBondContact CG-OD2 3.41Å; M55-V303 HydrophobicContact CB-CG1 4.17Å; M55-V303 WeakPolarHBondContact O-CG1 3.46Å; M55-P304 HydrophobicContact CB-CB 4.23Å; M55-G307 VanDerWaalsContact SD-C 3.57Å; M55-G307 WeakPolarHBondContact SD-CA 3.21Å; M55-V308 HydrophobicContact CE-CB 4.35Å; M55-V308 HydrophobicContact CE-CG2 3.46Å; M55-V308 VanDerWaalsContact CE-CG2 3.46Å; M55-I311 HydrophobicContact CE-CD1 3.45Å; M55-I311 VanDerWaalsContact CE-CD1 3.45Å; M55-I311 HydrophobicContact SD-CD1 3.79Å |
| 56 | V | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 171.8 | 165.8 | 0 | 0 | 0 | 0 | 110.9 | G52 V53 A58 G59 C60 P304 L411 V414 | G52-V56 VanDerWaalsContact O-CG2 3.3Å; G52-V56 WeakPolarHBondContact O-CG2 3.46Å; G52-V56 PolarHBondContact O-N 3.45Å; V53-V56 WeakPolarHBondContact O-CB 3.49Å; V53-V56 PolarHBondContact O-N 3.45Å; V56-A58 VanDerWaalsContact C-N 3.32Å; V56-A58 PolarHBondContact O-N 2.94Å; V56-G59 PolarHBondContact O-N 3.28Å; V56-C60 WeakPolarHBondContact O-CB 3.29Å; V56-C60 PolarHBondContact O-N 3.36Å; V56-C60 PolarHBondContact O-SG 2.89Å; V56-P304 HydrophobicContact CG2-CB 3.85Å; V56-P304 HydrophobicContact CG2-CG 3.93Å; V56-L411 HydrophobicContact CG2-CB 4.08Å; V56-L411 HydrophobicContact CG2-CD2 4.19Å; V56-V414 HydrophobicContact CG1-CG1 4.08Å |
| 57 | V | 94.5 | Very high | 90.1 | Very high | 47 Ų | 47 | 25.3 Ų | 25.3 | 29% | 0.285 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -60.8 | -44 | 176.5 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | V53 G54 C60 Y61 L206 V418 | V53-V57 WeakPolarHBondContact O-CG2 3.31Å; V53-V57 PolarHBondContact O-N 3.4Å; G54-V57 PolarHBondContact O-N 2.89Å; V57-C60 PolarHBondContact O-N 2.89Å; V57-Y61 WeakPolarHBondContact O-CB 3.38Å; V57-Y61 PolarHBondContact O-N 3.33Å; V57-L206 HydrophobicContact CG1-CD1 3.85Å; V57-V418 HydrophobicContact CG2-CG1 4.15Å; V57-V418 HydrophobicContact CG2-CG2 4.31Å |
| 58 | A | 93 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.6 | -48.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G54 M55 V56 Y61 V62 D205 L206 V209 V303 | G54-A58 PolarHBondContact O-N 2.94Å; M55-A58 PolarHBondContact O-N 3.31Å; V56-A58 VanDerWaalsContact C-N 3.32Å; V56-A58 PolarHBondContact O-N 2.94Å; A58-Y61 WeakPolarHBondContact O-CB 3.31Å; A58-Y61 PolarHBondContact O-N 2.85Å; A58-V62 WeakPolarHBondContact O-CG2 3.16Å; A58-V62 PolarHBondContact O-N 3.46Å; A58-D205 HydrophobicContact CB-CB 4.17Å; A58-L206 HydrophobicContact CB-CB 4.33Å; A58-L206 HydrophobicContact CB-CD1 4.41Å; A58-V209 HydrophobicContact CB-CG2 4.46Å; A58-V303 HydrophobicContact CB-CG1 4.28Å |
| 59 | G | 93 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | M55 V56 Y61 V62 D63 | M55-G59 PolarHBondContact O-N 3.45Å; V56-G59 PolarHBondContact O-N 3.28Å; G59-Y61 VanDerWaalsContact C-N 3.28Å; G59-Y61 PolarHBondContact O-N 2.96Å; G59-V62 PolarHBondContact O-N 2.95Å; G59-D63 PolarHBondContact O-N 3.16Å |
| 60 | C | 91.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -36.3 | 174 | -67.8 | 0 | 0 | 0 | 0 | 112 | V56 V57 D63 M64 R300 V418 L422 | V56-C60 WeakPolarHBondContact O-CB 3.29Å; V56-C60 PolarHBondContact O-N 3.36Å; V56-C60 PolarHBondContact O-SG 2.89Å; V57-C60 PolarHBondContact O-N 2.89Å; C60-D63 PolarHBondContact O-N 3.07Å; C60-M64 WeakPolarHBondContact O-CB 3.39Å; C60-M64 PolarHBondContact O-N 2.81Å; C60-R300 HydrophobicContact CB-CG 4.39Å; C60-R300 VanDerWaalsContact SG-CD 3.52Å; C60-R300 VanDerWaalsContact SG-CG 3.5Å; C60-V418 HydrophobicContact CB-CG1 3.93Å; C60-L422 HydrophobicContact CB-CD1 3.59Å |
| 61 | Y | 90.9 | Very high | 84 | Confident | 45 Ų | 45 | 25.5 Ų | 25.5 | 18% | 0.176 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.6 | -38.5 | 175.8 | -171.6 | -96.4 | 0 | 0 | 0 | 111.6 | V57 A58 G59 M64 L65 V209 L210 | V57-Y61 WeakPolarHBondContact O-CB 3.38Å; V57-Y61 PolarHBondContact O-N 3.33Å; A58-Y61 WeakPolarHBondContact O-CB 3.31Å; A58-Y61 PolarHBondContact O-N 2.85Å; G59-Y61 VanDerWaalsContact C-N 3.28Å; G59-Y61 PolarHBondContact O-N 2.96Å; Y61-M64 HydrophobicContact CD2-CE 3.57Å; Y61-M64 HydrophobicContact CE2-CE 3.37Å; Y61-M64 HydrophobicContact CG-CE 4.47Å; Y61-M64 WeakPolarHBondContact O-CB 3.45Å; Y61-M64 PolarHBondContact O-N 3.13Å; Y61-L65 HydrophobicContact CD1-CD1 3.86Å; Y61-L65 HydrophobicContact CD1-CG 4.06Å; Y61-L65 HydrophobicContact CE1-CD1 3.58Å; Y61-L65 HydrophobicContact CE1-CD2 4Å; Y61-L65 HydrophobicContact CE1-CG 3.8Å; Y61-L65 WeakPolarHBondContact O-CG 3.36Å; Y61-L65 PolarHBondContact O-N 3.26Å; Y61-V209 HydrophobicContact CD1-CG1 3.6Å; Y61-V209 HydrophobicContact CE1-CG1 4.17Å; Y61-L210 HydrophobicContact CD1-CD2 4.31Å; Y61-L210 HydrophobicContact CE1-CD2 3.73Å; Y61-L210 HydrophobicContact CE2-CD2 3.98Å |
| 62 | V | 89.1 | Confident | 82 | Confident | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.03 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.3 | -46.3 | 171 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | A58 G59 M64 L65 K66 F79 I82 V209 A299 | A58-V62 WeakPolarHBondContact O-CG2 3.16Å; A58-V62 PolarHBondContact O-N 3.46Å; G59-V62 PolarHBondContact O-N 2.95Å; V62-M64 VanDerWaalsContact C-N 3.33Å; V62-M64 PolarHBondContact O-N 3.41Å; V62-L65 PolarHBondContact O-N 3.29Å; V62-K66 PolarHBondContact O-N 2.93Å; V62-F79 HydrophobicContact CG1-CD2 3.71Å; V62-F79 HydrophobicContact CG1-CE2 3.62Å; V62-I82 HydrophobicContact CG1-CD1 3.99Å; V62-I82 HydrophobicContact CG2-CD1 4.4Å; V62-I82 HydrophobicContact CG2-CG2 4.38Å; V62-V209 HydrophobicContact CG2-CB 4.31Å; V62-V209 HydrophobicContact CG2-CG1 3.49Å; V62-V209 VanDerWaalsContact CG2-CG1 3.49Å; V62-V209 HydrophobicContact CG2-CG2 3.76Å; V62-A299 HydrophobicContact CG1-CB 4.41Å |
| 63 | D | 87.4 | Confident | 80.1 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -43 | 174.5 | 179.1 | 19.2 | 0 | 0 | 0 | 111.3 | G59 C60 K66 S67 A299 R300 N419 K423 | G59-D63 PolarHBondContact O-N 3.16Å; C60-D63 PolarHBondContact O-N 3.07Å; D63-K66 PolarHBondContact O-N 3.39Å; D63-S67 WeakPolarHBondContact O-CB 3.35Å; D63-S67 PolarHBondContact O-N 2.9Å; D63-S67 PolarHBondContact O-OG 3.38Å; D63-A299 HydrophobicContact CB-CB 4.38Å; D63-R300 HydrophobicContact CB-CB 4.4Å; D63-R300 IonicContact OD2-CZ 3.54Å; D63-R300 IonicContact OD2-NE 3.6Å; D63-R300 PolarHBondContact OD2-NE 3.44Å; D63-R300 IonicContact OD2-NH2 3.33Å; D63-R300 PolarHBondContact OD2-NH2 3.15Å; D63-N419 PolarHBondContact OD2-OD1 3.07Å; D63-K423 IonicContact OD1-NZ 3.58Å; D63-K423 PolarHBondContact OD1-NZ 2.89Å; D63-K423 IonicContact OD2-NZ 2.77Å; D63-K423 PolarHBondContact OD2-NZ 3.43Å; D63-K423 VanDerWaalsContact OD2-NZ 3.16Å |
| 64 | M | 84.9 | Confident | 78.3 | Confident | 43 Ų | 43 | 37.8 Ų | 37.8 | 21% | 0.212 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 176 | -171 | -165.6 | 76 | 0 | 0 | 112.3 | C60 Y61 V62 K66 S67 S68 | C60-M64 WeakPolarHBondContact O-CB 3.39Å; C60-M64 PolarHBondContact O-N 2.81Å; Y61-M64 HydrophobicContact CD2-CE 3.57Å; Y61-M64 HydrophobicContact CE2-CE 3.37Å; Y61-M64 HydrophobicContact CG-CE 4.47Å; Y61-M64 WeakPolarHBondContact O-CB 3.45Å; Y61-M64 PolarHBondContact O-N 3.13Å; V62-M64 VanDerWaalsContact C-N 3.33Å; V62-M64 PolarHBondContact O-N 3.41Å; M64-K66 VanDerWaalsContact C-N 3.28Å; M64-K66 PolarHBondContact O-N 2.78Å; M64-S67 WeakPolarHBondContact CA-OG 3.47Å; M64-S67 PolarHBondContact O-N 3.1Å; M64-S67 VanDerWaalsContact O-N 3.13Å; M64-S67 PolarHBondContact O-OG 2.98Å; M64-S68 WeakPolarHBondContact O-CB 3.47Å; M64-S68 PolarHBondContact O-N 3.41Å; M64-S68 PolarHBondContact O-OG 3.26Å; M64-S68 VanDerWaalsContact O-OG 3.07Å |
| 65 | L | 82 | Confident | 76.7 | Confident | 15 Ų | 15 | 37.4 Ų | 37.4 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.9 | -39.3 | 177.7 | -71.6 | 177.7 | 0 | 0 | 0 | 112 | Y61 V62 S68 L71 V209 S213 | Y61-L65 HydrophobicContact CD1-CD1 3.86Å; Y61-L65 HydrophobicContact CD1-CG 4.06Å; Y61-L65 HydrophobicContact CE1-CD1 3.58Å; Y61-L65 HydrophobicContact CE1-CD2 4Å; Y61-L65 HydrophobicContact CE1-CG 3.8Å; Y61-L65 WeakPolarHBondContact O-CG 3.36Å; Y61-L65 PolarHBondContact O-N 3.26Å; V62-L65 PolarHBondContact O-N 3.29Å; L65-S68 PolarHBondContact O-OG 2.85Å; L65-L71 HydrophobicContact CB-CD1 4.33Å; L65-V209 HydrophobicContact CD1-CG1 4.23Å; L65-S213 WeakPolarHBondContact CD2-OG 3.38Å |
| 66 | K | 78.7 | Confident | 75.2 | Confident | 49 Ų | 49 | 42.1 Ų | 42.1 | 21% | 0.213 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -49.7 | 172.3 | 178.6 | 178.2 | 172.7 | 174.5 | 0 | 111.2 | V62 D63 M64 S68 L292 | V62-K66 PolarHBondContact O-N 2.93Å; D63-K66 PolarHBondContact O-N 3.39Å; M64-K66 VanDerWaalsContact C-N 3.28Å; M64-K66 PolarHBondContact O-N 2.78Å; K66-S68 PolarHBondContact O-N 3.12Å; K66-L292 HydrophobicContact CD-CD2 3.74Å; K66-L292 HydrophobicContact CD-CG 4.32Å; K66-L292 VanDerWaalsContact NZ-CD2 3.34Å; K66-L292 VanDerWaalsContact NZ-CG 3.27Å |
| 67 | S | 73.4 | Confident | 74.2 | Confident | 65 Ų | 65 | 42.9 Ų | 42.9 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.6 | -27.7 | -173.8 | 67.8 | 0 | 0 | 0 | 0 | 114.8 | D63 M64 G69 | D63-S67 WeakPolarHBondContact O-CB 3.35Å; D63-S67 PolarHBondContact O-N 2.9Å; D63-S67 PolarHBondContact O-OG 3.38Å; M64-S67 WeakPolarHBondContact CA-OG 3.47Å; M64-S67 PolarHBondContact O-N 3.1Å; M64-S67 VanDerWaalsContact O-N 3.13Å; M64-S67 PolarHBondContact O-OG 2.98Å; S67-G69 PolarHBondContact O-N 3.45Å |
| 68 | S | 70 | Confident | 73.7 | Confident | 58 Ų | 58 | 40.8 Ų | 40.8 | 41% | 0.406 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -2.4 | -175.1 | 57.9 | 0 | 0 | 0 | 0 | 114.2 | M64 L65 K66 S70 | M64-S68 WeakPolarHBondContact O-CB 3.47Å; M64-S68 PolarHBondContact O-N 3.41Å; M64-S68 PolarHBondContact O-OG 3.26Å; M64-S68 VanDerWaalsContact O-OG 3.07Å; L65-S68 PolarHBondContact O-OG 2.85Å; K66-S68 PolarHBondContact O-N 3.12Å; S68-S70 PolarHBondContact O-N 3.09Å; S68-S70 WeakPolarHBondContact OG-CB 3.38Å |
| 69 | G | 61.7 | Low | 73.4 | Confident | 53 Ų | 53 | 41.3 Ų | 41.3 | 55% | 0.546 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 65 | 3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S67 L71 | S67-G69 PolarHBondContact O-N 3.45Å; G69-L71 CarbonylContact C-O 3.59Å; G69-L71 CarbonylContact O-C 3.48Å; G69-L71 PolarHBondContact O-N 3.32Å |
| 70 | S | 56.5 | Low | 73.3 | Confident | 61 Ų | 61 | 41.8 Ų | 41.8 | 43% | 0.427 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -61.9 | -28.2 | 172.4 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | S68 K220 | S68-S70 PolarHBondContact O-N 3.09Å; S68-S70 WeakPolarHBondContact OG-CB 3.38Å; S70-K220 PolarHBondContact O-NZ 3.35Å |
| 71 | L | 54.2 | Low | 73.3 | Confident | 24 Ų | 24 | 41.8 Ų | 41.8 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -89.6 | 113.1 | 159.7 | -90.1 | 62.9 | 0 | 0 | 0 | 108.2 | L65 G69 D75 | L65-L71 HydrophobicContact CB-CD1 4.33Å; G69-L71 CarbonylContact C-O 3.59Å; G69-L71 CarbonylContact O-C 3.48Å; G69-L71 PolarHBondContact O-N 3.32Å; L71-D75 HydrophobicContact CB-CB 3.63Å; L71-D75 HydrophobicContact CD2-CB 4.21Å; L71-D75 VanDerWaalsContact CD2-O 3.28Å; L71-D75 WeakPolarHBondContact CD2-O 3.38Å; L71-D75 HydrophobicContact CG-CB 3.51Å |
| 72 | T | 51.1 | Low | 73.4 | Confident | 69 Ų | 69 | 40.2 Ų | 40.2 | 42% | 0.423 | 24% | 0.24 | S | C | . | . | trans | -58.7 | 164.5 | 166.5 | 64 | 0 | 0 | 0 | 0 | 109.3 | K74 D75 E76 | T72-K74 PolarHBondContact O-N 3.48Å; T72-K74 PolarHBondContact OG1-N 2.92Å; T72-D75 WeakPolarHBondContact CB-OD2 3.35Å; T72-D75 PolarHBondContact N-OD2 2.96Å; T72-D75 WeakPolarHBondContact O-CA 3.06Å; T72-D75 WeakPolarHBondContact O-CB 3.43Å; T72-D75 PolarHBondContact O-N 2.91Å; T72-D75 VanDerWaalsContact OG1-CG 3.27Å; T72-D75 PolarHBondContact OG1-N 3.1Å; T72-D75 PolarHBondContact OG1-OD2 3.01Å; T72-E76 PolarHBondContact O-N 3.2Å | ||
| 73 | S | 52.3 | Low | 73.6 | Confident | 100 Ų | 100 | 40.3 Ų | 40.3 | 70% | 0.699 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -27.9 | 173.4 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | D75 | S73-D75 VanDerWaalsContact C-N 3.31Š|
| 74 | K | 56.9 | Low | 74 | Confident | 136 Ų | 136 | 40 Ų | 40 | 59% | 0.591 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -28.7 | 171.9 | -64.8 | -177.5 | -179.6 | 178.1 | 0 | 113 | T72 P153 V154 | T72-K74 PolarHBondContact O-N 3.48Å; T72-K74 PolarHBondContact OG1-N 2.92Å; K74-P153 HydrophobicContact CB-CB 4.03Å; K74-P153 HydrophobicContact CG-CB 4.19Å; K74-P153 VanDerWaalsContact O-CG 3.25Å; K74-P153 WeakPolarHBondContact O-CG 3.21Å; K74-V154 WeakPolarHBondContact O-CG2 3.12Å |
| 75 | D | 59.8 | Low | 74.5 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.043 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -8.3 | -180 | -52.5 | -66.2 | 0 | 0 | 0 | 113.5 | L71 T72 S73 S77 I78 K220 | L71-D75 HydrophobicContact CB-CB 3.63Å; L71-D75 HydrophobicContact CD2-CB 4.21Å; L71-D75 VanDerWaalsContact CD2-O 3.28Å; L71-D75 WeakPolarHBondContact CD2-O 3.38Å; L71-D75 HydrophobicContact CG-CB 3.51Å; T72-D75 WeakPolarHBondContact CB-OD2 3.35Å; T72-D75 PolarHBondContact N-OD2 2.96Å; T72-D75 WeakPolarHBondContact O-CA 3.06Å; T72-D75 WeakPolarHBondContact O-CB 3.43Å; T72-D75 PolarHBondContact O-N 2.91Å; T72-D75 VanDerWaalsContact OG1-CG 3.27Å; T72-D75 PolarHBondContact OG1-N 3.1Å; T72-D75 PolarHBondContact OG1-OD2 3.01Å; S73-D75 VanDerWaalsContact C-N 3.31Å; D75-S77 PolarHBondContact O-N 3.34Å; D75-S77 VanDerWaalsContact O-N 3.13Å; D75-I78 HydrophobicContact CB-CD1 3.85Å; D75-I78 HydrophobicContact CB-CG1 4.23Å; D75-I78 WeakPolarHBondContact O-CA 3.03Å; D75-I78 WeakPolarHBondContact O-CB 3.23Å; D75-I78 WeakPolarHBondContact O-CG1 3.05Å; D75-I78 PolarHBondContact O-N 3.32Å; D75-K220 WeakPolarHBondContact OD1-CE 3.38Å; D75-K220 IonicContact OD1-NZ 3.67Å; D75-K220 WeakPolarHBondContact OD2-CE 3.42Å; D75-K220 IonicContact OD2-NZ 2.63Å; D75-K220 PolarHBondContact OD2-NZ 2.73Å |
| 76 | E | 63.8 | Low | 75 | Confident | 99 Ų | 99 | 38 Ų | 38 | 46% | 0.463 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -55.8 | -29.7 | 171 | -69.5 | -168.2 | 157 | 0 | 0 | 111.1 | T72 I78 F79 | T72-E76 PolarHBondContact O-N 3.2Å; E76-I78 PolarHBondContact O-N 3.14Å; E76-F79 WeakPolarHBondContact O-CB 3.41Å; E76-F79 PolarHBondContact O-N 3.26Å |
| 77 | S | 74 | Confident | 75.6 | Confident | 16 Ų | 16 | 36 Ų | 36 | 11% | 0.112 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -65.7 | -19.2 | 173.1 | -54.4 | 0 | 0 | 0 | 0 | 114 | D75 F79 E80 F152 P153 | D75-S77 PolarHBondContact O-N 3.34Å; D75-S77 VanDerWaalsContact O-N 3.13Å; S77-F79 PolarHBondContact O-N 3.16Å; S77-E80 WeakPolarHBondContact O-CB 3.15Å; S77-E80 PolarHBondContact O-N 3Å; S77-E80 VanDerWaalsContact O-N 3.09Å; S77-F152 VanDerWaalsContact CB-CZ 3.43Å; S77-F152 VanDerWaalsContact O-CZ 3.32Å; S77-F152 WeakPolarHBondContact O-CZ 3.07Å; S77-P153 VanDerWaalsContact OG-CD 3.29Å; S77-P153 WeakPolarHBondContact OG-CD 3.39Å; S77-P153 WeakPolarHBondContact OG-CG 3.39Å |
| 78 | I | 83.9 | Confident | 76.5 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -63.7 | -24.2 | 170.7 | -59.6 | -179.6 | 0 | 0 | 0 | 110.4 | D75 E76 E80 I81 I82 V154 I212 N216 | D75-I78 HydrophobicContact CB-CD1 3.85Å; D75-I78 HydrophobicContact CB-CG1 4.23Å; D75-I78 WeakPolarHBondContact O-CA 3.03Å; D75-I78 WeakPolarHBondContact O-CB 3.23Å; D75-I78 WeakPolarHBondContact O-CG1 3.05Å; D75-I78 PolarHBondContact O-N 3.32Å; E76-I78 PolarHBondContact O-N 3.14Å; I78-E80 PolarHBondContact O-N 3.11Å; I78-I81 HydrophobicContact CG2-CG2 3.96Å; I78-I81 WeakPolarHBondContact O-CG2 3.46Å; I78-I81 PolarHBondContact O-N 3.3Å; I78-I81 VanDerWaalsContact O-N 3.1Å; I78-I82 PolarHBondContact O-N 3.42Å; I78-V154 HydrophobicContact CG1-CG2 4.49Å; I78-I212 HydrophobicContact CG2-CG2 4.46Å; I78-N216 WeakPolarHBondContact CD1-ND2 3.37Å; I78-N216 VanDerWaalsContact CD1-OD1 3.31Å; I78-N216 WeakPolarHBondContact CD1-OD1 3.39Å |
| 79 | F | 86.2 | Confident | 77.4 | Confident | 10 Ų | 10 | 30.7 Ų | 30.7 | 4% | 0.044 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -59.5 | -32.5 | 173.4 | -174.1 | -94.6 | 0 | 0 | 0 | 112.3 | V62 E76 S77 I81 I82 P83 A289 L292 A299 | V62-F79 HydrophobicContact CG1-CD2 3.71Å; V62-F79 HydrophobicContact CG1-CE2 3.62Å; E76-F79 WeakPolarHBondContact O-CB 3.41Å; E76-F79 PolarHBondContact O-N 3.26Å; S77-F79 PolarHBondContact O-N 3.16Å; F79-I81 PolarHBondContact O-N 3.22Å; F79-I82 HydrophobicContact CD2-CD1 4.49Å; F79-I82 PolarHBondContact O-N 3.04Å; F79-P83 WeakPolarHBondContact O-CD 3.31Å; F79-A289 HydrophobicContact CD1-CB 4.17Å; F79-L292 HydrophobicContact CD1-CD2 3.87Å; F79-L292 HydrophobicContact CD2-CD2 4.23Å; F79-L292 HydrophobicContact CE1-CD2 4.05Å; F79-L292 HydrophobicContact CE2-CD2 4.41Å; F79-L292 HydrophobicContact CG-CD2 3.96Å; F79-L292 HydrophobicContact CZ-CD1 4.35Å; F79-L292 HydrophobicContact CZ-CD2 4.33Å; F79-A299 HydrophobicContact CD2-CB 4.46Å; F79-A299 HydrophobicContact CE2-CB 3.6Å; F79-A299 HydrophobicContact CZ-CB 4.02Å |
| 80 | E | 89.8 | Confident | 78.3 | Confident | 11 Ų | 11 | 28.8 Ų | 28.8 | 5% | 0.051 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -64.9 | -25.6 | 178.4 | -68.5 | -174.9 | -126.1 | 0 | 0 | 113.2 | S77 I78 P84 V140 H144 N286 A289 | S77-E80 WeakPolarHBondContact O-CB 3.15Å; S77-E80 PolarHBondContact O-N 3Å; S77-E80 VanDerWaalsContact O-N 3.09Å; I78-E80 PolarHBondContact O-N 3.11Å; E80-P84 WeakPolarHBondContact O-CD 3.41Å; E80-V140 HydrophobicContact CB-CG1 3.68Å; E80-H144 IonicContact OE1-CE1 2.92Å; E80-H144 IonicContact OE1-CG 3.48Å; E80-H144 IonicContact OE1-ND1 3.91Å; E80-H144 PolarHBondContact OE1-ND1 3.39Å; E80-H144 IonicContact OE2-ND1 3.01Å; E80-N286 PolarHBondContact OE2-ND2 3.47Å; E80-A289 HydrophobicContact CG-CB 3.33Å |
| 81 | I | 92.5 | Very high | 79.9 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -89.4 | -19.6 | 179.6 | -155.8 | 172.5 | 0 | 0 | 0 | 113.3 | I78 F79 P84 I85 I136 P137 L159 | I78-I81 HydrophobicContact CG2-CG2 3.96Å; I78-I81 WeakPolarHBondContact O-CG2 3.46Å; I78-I81 PolarHBondContact O-N 3.3Å; I78-I81 VanDerWaalsContact O-N 3.1Å; F79-I81 PolarHBondContact O-N 3.22Å; I81-P84 VanDerWaalsContact O-CD 3.29Å; I81-P84 WeakPolarHBondContact O-CD 3.39Å; I81-P84 VanDerWaalsContact O-CG 3.29Å; I81-P84 WeakPolarHBondContact O-CG 3.4Å; I81-I85 HydrophobicContact CD1-CD1 4.14Å; I81-I85 HydrophobicContact CG1-CD1 3.8Å; I81-I85 HydrophobicContact CG1-CG1 4.19Å; I81-I85 HydrophobicContact CG2-CD1 4.25Å; I81-I85 VanDerWaalsContact O-CG1 3.29Å; I81-I85 WeakPolarHBondContact O-CG1 3.44Å; I81-I85 PolarHBondContact O-N 2.94Å; I81-I136 HydrophobicContact CD1-CG2 3.88Å; I81-I136 HydrophobicContact CG1-CG2 3.45Å; I81-I136 VanDerWaalsContact CG1-CG2 3.45Å; I81-P137 HydrophobicContact CD1-CG 3.87Å; I81-L159 HydrophobicContact CD1-CB 4.38Å; I81-L159 HydrophobicContact CD1-CD2 4.37Å |
| 82 | I | 92.9 | Very high | 81.7 | Confident | 11 Ų | 11 | 25.1 Ų | 25.1 | 6% | 0.056 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.6 | -52.8 | -177.7 | -67.5 | 171 | 0 | 0 | 0 | 111.2 | V62 I78 F79 I85 L86 I212 | V62-I82 HydrophobicContact CG1-CD1 3.99Å; V62-I82 HydrophobicContact CG2-CD1 4.4Å; V62-I82 HydrophobicContact CG2-CG2 4.38Å; I78-I82 PolarHBondContact O-N 3.42Å; F79-I82 HydrophobicContact CD2-CD1 4.49Å; F79-I82 PolarHBondContact O-N 3.04Å; I82-I85 PolarHBondContact O-N 3.34Å; I82-I85 VanDerWaalsContact O-N 3.14Å; I82-L86 HydrophobicContact CG2-CD1 3.68Å; I82-L86 HydrophobicContact CG2-CG 4Å; I82-L86 WeakPolarHBondContact O-CG 3.4Å; I82-L86 PolarHBondContact O-N 3.47Å; I82-I212 HydrophobicContact CG1-CD1 4.24Å |
| 83 | P | 93.2 | Very high | 83.7 | Confident | 8 Ų | 8 | 21.9 Ų | 21.9 | 5% | 0.052 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.2 | -47.2 | -179.8 | -29.3 | 40 | 0 | 0 | 0 | 115.1 | F79 I85 L86 G87 | F79-P83 WeakPolarHBondContact O-CD 3.31Å; P83-I85 VanDerWaalsContact C-N 3.32Å; P83-I85 PolarHBondContact O-N 2.83Å; P83-L86 PolarHBondContact O-N 2.95Å; P83-G87 PolarHBondContact O-N 2.55Å |
| 84 | P | 95.3 | Very high | 85.5 | Confident | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.3 | -31.2 | 176 | 22.4 | -31.1 | 0 | 0 | 0 | 114 | E80 I81 L88 I136 V140 | E80-P84 WeakPolarHBondContact O-CD 3.41Å; I81-P84 VanDerWaalsContact O-CD 3.29Å; I81-P84 WeakPolarHBondContact O-CD 3.39Å; I81-P84 VanDerWaalsContact O-CG 3.29Å; I81-P84 WeakPolarHBondContact O-CG 3.4Å; P84-L88 VanDerWaalsContact O-CB 3.29Å; P84-L88 WeakPolarHBondContact O-CB 3.38Å; P84-L88 PolarHBondContact O-N 2.89Å; P84-I136 HydrophobicContact CB-CD1 4.33Å; P84-I136 HydrophobicContact CB-CG1 4.17Å; P84-I136 HydrophobicContact CB-CG2 3.9Å; P84-I136 HydrophobicContact CG-CG2 3.74Å; P84-V140 HydrophobicContact CG-CG2 4.11Å |
| 85 | I | 95.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -69.2 | -44.8 | 174.1 | -68.2 | 171.5 | 0 | 0 | 0 | 110.9 | I81 I82 P83 L88 K89 I136 T166 T208 I212 | I81-I85 HydrophobicContact CD1-CD1 4.14Å; I81-I85 HydrophobicContact CG1-CD1 3.8Å; I81-I85 HydrophobicContact CG1-CG1 4.19Å; I81-I85 HydrophobicContact CG2-CD1 4.25Å; I81-I85 VanDerWaalsContact O-CG1 3.29Å; I81-I85 WeakPolarHBondContact O-CG1 3.44Å; I81-I85 PolarHBondContact O-N 2.94Å; I82-I85 PolarHBondContact O-N 3.34Å; I82-I85 VanDerWaalsContact O-N 3.14Å; P83-I85 VanDerWaalsContact C-N 3.32Å; P83-I85 PolarHBondContact O-N 2.83Å; I85-L88 PolarHBondContact O-N 3.4Å; I85-K89 WeakPolarHBondContact O-CB 3.26Å; I85-K89 PolarHBondContact O-N 3.28Å; I85-I136 HydrophobicContact CG1-CD1 4.31Å; I85-I136 HydrophobicContact CG1-CG2 4.47Å; I85-T166 HydrophobicContact CG2-CG2 4.49Å; I85-T208 HydrophobicContact CG2-CG2 3.57Å; I85-I212 HydrophobicContact CB-CD1 4.45Å; I85-I212 HydrophobicContact CD1-CD1 4.04Å; I85-I212 HydrophobicContact CG2-CD1 4.09Å |
| 86 | L | 93.7 | Very high | 88.8 | Confident | 15 Ų | 15 | 10.4 Ų | 10.4 | 8% | 0.079 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64 | -41.2 | 176.8 | -64.9 | -177.3 | 0 | 0 | 0 | 111.8 | I82 P83 K89 G90 D205 T208 V209 V303 | I82-L86 HydrophobicContact CG2-CD1 3.68Å; I82-L86 HydrophobicContact CG2-CG 4Å; I82-L86 WeakPolarHBondContact O-CG 3.4Å; I82-L86 PolarHBondContact O-N 3.47Å; P83-L86 PolarHBondContact O-N 2.95Å; L86-K89 WeakPolarHBondContact O-CB 3.48Å; L86-K89 PolarHBondContact O-N 3.01Å; L86-G90 PolarHBondContact O-N 2.85Å; L86-D205 HydrophobicContact CD2-CB 4.31Å; L86-T208 HydrophobicContact CD2-CG2 3.9Å; L86-V209 HydrophobicContact CD1-CG2 4.32Å; L86-V209 HydrophobicContact CD2-CG2 4.06Å; L86-V303 HydrophobicContact CD1-CG1 4.15Å; L86-V303 HydrophobicContact CD1-CG2 4.01Å |
| 87 | G | 91.8 | Very high | 90.2 | Very high | 5 Ų | 5 | 5.7 Ų | 5.7 | 5% | 0.052 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -59.8 | -50.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P83 K89 G90 N91 D499 | P83-G87 PolarHBondContact O-N 2.55Å; G87-K89 VanDerWaalsContact C-N 3.28Å; G87-K89 PolarHBondContact O-N 3.37Å; G87-G90 PolarHBondContact O-N 3.11Å; G87-N91 PolarHBondContact O-N 2.88Å; G87-N91 VanDerWaalsContact O-N 3.11Å; G87-N91 PolarHBondContact O-ND2 3.04Å; G87-N91 PolarHBondContact O-OD1 3.19Å; G87-D499 WeakPolarHBondContact CA-OD2 3.48Å |
| 88 | L | 91.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 5 Ų | 5 | 2% | 0.021 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -54.2 | -45.3 | 176 | 173.3 | 64.2 | 0 | 0 | 0 | 112 | P84 I85 N91 L92 A132 I136 L274 | P84-L88 VanDerWaalsContact O-CB 3.29Å; P84-L88 WeakPolarHBondContact O-CB 3.38Å; P84-L88 PolarHBondContact O-N 2.89Å; I85-L88 PolarHBondContact O-N 3.4Å; L88-N91 VanDerWaalsContact O-CB 3.28Å; L88-N91 WeakPolarHBondContact O-CB 3.33Å; L88-N91 PolarHBondContact O-N 3.05Å; L88-N91 VanDerWaalsContact O-N 3.11Å; L88-L92 HydrophobicContact CD1-CD1 3.99Å; L88-L92 HydrophobicContact CD1-CG 4.12Å; L88-L92 HydrophobicContact CG-CD1 4.22Å; L88-L92 WeakPolarHBondContact O-CG 3.29Å; L88-L92 PolarHBondContact O-N 3.35Å; L88-A132 HydrophobicContact CD1-CB 3.38Å; L88-A132 HydrophobicContact CD2-CB 3.42Å; L88-A132 VanDerWaalsContact CD2-CB 3.42Å; L88-A132 HydrophobicContact CG-CB 4.02Å; L88-I136 HydrophobicContact CB-CD1 4.25Å; L88-I136 HydrophobicContact CD2-CD1 3.8Å; L88-L274 HydrophobicContact CD1-CD1 3.77Å |
| 89 | K | 89.1 | Confident | 91.2 | Very high | 8 Ų | 8 | 4.8 Ų | 4.8 | 4% | 0.035 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -58.7 | -51.1 | 179.8 | -171.8 | -146 | 77.2 | 74 | 0 | 111.5 | I85 L86 G87 N91 L92 E93 A200 G204 D205 T208 | I85-K89 WeakPolarHBondContact O-CB 3.26Å; I85-K89 PolarHBondContact O-N 3.28Å; L86-K89 WeakPolarHBondContact O-CB 3.48Å; L86-K89 PolarHBondContact O-N 3.01Å; G87-K89 VanDerWaalsContact C-N 3.28Å; G87-K89 PolarHBondContact O-N 3.37Å; K89-N91 PolarHBondContact O-N 3.33Å; K89-L92 PolarHBondContact O-N 3Å; K89-E93 VanDerWaalsContact CG-CD 3.44Å; K89-E93 WeakPolarHBondContact CG-OE1 3.43Å; K89-E93 WeakPolarHBondContact CG-OE2 3.41Å; K89-E93 IonicContact NZ-OE2 3.68Å; K89-E93 PolarHBondContact NZ-OE2 2.86Å; K89-E93 VanDerWaalsContact O-CD 3.28Å; K89-E93 PolarHBondContact O-N 2.67Å; K89-A200 PolarHBondContact NZ-O 2.96Å; K89-G204 VanDerWaalsContact CD-CA 3.45Å; K89-G204 WeakPolarHBondContact CD-O 3.22Å; K89-G204 VanDerWaalsContact CE-CA 3.43Å; K89-D205 WeakPolarHBondContact CE-OD1 3.33Å; K89-T208 WeakPolarHBondContact CD-OG1 3.38Å |
| 90 | G | 80.7 | Confident | 91.4 | Very high | 14 Ų | 14 | 4.3 Ų | 4.3 | 14% | 0.144 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -53.8 | -36.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L86 G87 V94 | L86-G90 PolarHBondContact O-N 2.85Å; G87-G90 PolarHBondContact O-N 3.11Å; G90-V94 WeakPolarHBondContact O-CB 3.44Å; G90-V94 WeakPolarHBondContact O-CG2 3Å; G90-V94 PolarHBondContact O-N 3.29Å |
| 91 | N | 89.1 | Confident | 91.3 | Very high | 4 Ų | 4 | 3.8 Ų | 3.8 | 2% | 0.021 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -66.5 | -49.3 | -179.8 | -54.6 | -14.1 | 0 | 0 | 0 | 112.3 | G87 L88 K89 A95 A492 T495 | G87-N91 PolarHBondContact O-N 2.88Å; G87-N91 VanDerWaalsContact O-N 3.11Å; G87-N91 PolarHBondContact O-ND2 3.04Å; G87-N91 PolarHBondContact O-OD1 3.19Å; L88-N91 VanDerWaalsContact O-CB 3.28Å; L88-N91 WeakPolarHBondContact O-CB 3.33Å; L88-N91 PolarHBondContact O-N 3.05Å; L88-N91 VanDerWaalsContact O-N 3.11Å; K89-N91 PolarHBondContact O-N 3.33Å; N91-A95 VanDerWaalsContact O-CB 3.25Å; N91-A95 WeakPolarHBondContact O-CB 3.44Å; N91-A95 PolarHBondContact O-N 3.49Å; N91-A492 HydrophobicContact CB-CB 4.27Å; N91-T495 VanDerWaalsContact OD1-CB 3.27Å; N91-T495 WeakPolarHBondContact OD1-CB 3.02Å; N91-T495 PolarHBondContact OD1-OG1 3.4Å |
| 92 | L | 92.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 3.8 Ų | 3.8 | 2% | 0.016 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -75.5 | -47 | -168.8 | -64.1 | -177.3 | 0 | 0 | 0 | 112.1 | L88 K89 A95 L96 I125 L128 A129 | L88-L92 HydrophobicContact CD1-CD1 3.99Å; L88-L92 HydrophobicContact CD1-CG 4.12Å; L88-L92 HydrophobicContact CG-CD1 4.22Å; L88-L92 WeakPolarHBondContact O-CG 3.29Å; L88-L92 PolarHBondContact O-N 3.35Å; K89-L92 PolarHBondContact O-N 3Å; L92-A95 PolarHBondContact O-N 3.23Å; L92-L96 PolarHBondContact O-N 3.46Å; L92-I125 HydrophobicContact CB-CB 4.14Å; L92-I125 HydrophobicContact CB-CG2 4.29Å; L92-I125 HydrophobicContact CD1-CB 4.43Å; L92-I125 HydrophobicContact CD2-CB 4.24Å; L92-I125 HydrophobicContact CD2-CG2 4.26Å; L92-I125 HydrophobicContact CG-CB 4.5Å; L92-L128 HydrophobicContact CD2-CB 3.83Å; L92-L128 HydrophobicContact CD2-CD1 3.9Å; L92-A129 HydrophobicContact CD1-CB 3.77Å |
| 93 | E | 92.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 3.3 Ų | 3.3 | 1% | 0.005 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -80.8 | -31.3 | -173.9 | -62.6 | 129.7 | -156.6 | 0 | 0 | 112.4 | K89 A95 L96 S97 I174 A200 | K89-E93 VanDerWaalsContact CG-CD 3.44Å; K89-E93 WeakPolarHBondContact CG-OE1 3.43Å; K89-E93 WeakPolarHBondContact CG-OE2 3.41Å; K89-E93 IonicContact NZ-OE2 3.68Å; K89-E93 PolarHBondContact NZ-OE2 2.86Å; K89-E93 VanDerWaalsContact O-CD 3.28Å; K89-E93 PolarHBondContact O-N 2.67Å; E93-A95 VanDerWaalsContact C-N 3.33Å; E93-L96 WeakPolarHBondContact O-CB 3.21Å; E93-L96 PolarHBondContact O-N 3.45Å; E93-S97 PolarHBondContact O-N 3.34Å; E93-I174 HydrophobicContact CB-CG2 4.18Å; E93-I174 HydrophobicContact CG-CB 4.25Å; E93-I174 HydrophobicContact CG-CG2 3.74Å; E93-I174 WeakPolarHBondContact OE2-CG2 3.13Å; E93-A200 HydrophobicContact CB-CB 4.32Å |
| 94 | V | 90.9 | Very high | 90.2 | Very high | 4 Ų | 4 | 3.1 Ų | 3.1 | 2% | 0.024 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -66.8 | -40.2 | 171.9 | 179.5 | 0 | 0 | 0 | 0 | 110 | G90 L96 S97 S98 P197 S314 I491 | G90-V94 WeakPolarHBondContact O-CB 3.44Å; G90-V94 WeakPolarHBondContact O-CG2 3Å; G90-V94 PolarHBondContact O-N 3.29Å; V94-L96 VanDerWaalsContact C-N 3.35Å; V94-L96 PolarHBondContact O-N 3.1Å; V94-S97 WeakPolarHBondContact CA-OG 3.21Å; V94-S97 PolarHBondContact O-N 3.31Å; V94-S97 PolarHBondContact O-OG 2.88Å; V94-S98 WeakPolarHBondContact O-CB 3.2Å; V94-S98 PolarHBondContact O-N 2.95Å; V94-P197 HydrophobicContact CG1-CB 3.95Å; V94-S314 VanDerWaalsContact CG1-CB 3.45Å; V94-I491 HydrophobicContact CB-CG2 4.41Å; V94-I491 HydrophobicContact CG1-CD1 4.29Å; V94-I491 HydrophobicContact CG1-CG2 4.48Å |
| 95 | A | 92.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -61.2 | -41.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N91 L92 E93 S98 R99 F488 I491 | N91-A95 VanDerWaalsContact O-CB 3.25Å; N91-A95 WeakPolarHBondContact O-CB 3.44Å; N91-A95 PolarHBondContact O-N 3.49Å; L92-A95 PolarHBondContact O-N 3.23Å; E93-A95 VanDerWaalsContact C-N 3.33Å; A95-S98 PolarHBondContact O-N 3.03Å; A95-R99 VanDerWaalsContact O-CG 3.26Å; A95-R99 WeakPolarHBondContact O-CG 3.42Å; A95-R99 PolarHBondContact O-N 2.58Å; A95-F488 HydrophobicContact CB-CD1 3.45Å; A95-F488 VanDerWaalsContact CB-CD1 3.45Å; A95-F488 HydrophobicContact CB-CE1 3.4Å; A95-F488 VanDerWaalsContact CB-CE1 3.4Å; A95-F488 HydrophobicContact CB-CG 4.22Å; A95-F488 HydrophobicContact CB-CZ 4.16Å; A95-I491 HydrophobicContact CB-CD1 4Å |
| 96 | L | 93.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -58 | -49.6 | 172.4 | 175.3 | 66.1 | 0 | 0 | 0 | 111.4 | L92 E93 V94 S98 R99 L100 F118 T121 I125 V178 | L92-L96 PolarHBondContact O-N 3.46Å; E93-L96 WeakPolarHBondContact O-CB 3.21Å; E93-L96 PolarHBondContact O-N 3.45Å; V94-L96 VanDerWaalsContact C-N 3.35Å; V94-L96 PolarHBondContact O-N 3.1Å; L96-S98 VanDerWaalsContact C-N 3.35Å; L96-S98 PolarHBondContact O-N 2.84Å; L96-R99 PolarHBondContact O-N 3.13Å; L96-L100 HydrophobicContact CD1-CD1 4.02Å; L96-L100 HydrophobicContact CD1-CG 4.27Å; L96-L100 HydrophobicContact CG-CD1 4.02Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 2.83Å; L96-F118 HydrophobicContact CD1-CD2 4.19Å; L96-F118 HydrophobicContact CD2-CD2 4.45Å; L96-F118 HydrophobicContact CD2-CE2 4.23Å; L96-T121 HydrophobicContact CB-CG2 4.37Å; L96-T121 HydrophobicContact CD1-CG2 3.5Å; L96-T121 VanDerWaalsContact CD1-CG2 3.5Å; L96-I125 HydrophobicContact CB-CD1 4.32Å; L96-I125 HydrophobicContact CD2-CD1 4.09Å; L96-V178 HydrophobicContact CD2-CB 4.49Å; L96-V178 HydrophobicContact CD2-CG1 4.37Å; L96-V178 HydrophobicContact CG-CG1 4.44Å |
| 97 | S | 92.4 | Very high | 87 | Confident | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 178.7 | 73.5 | 0 | 0 | 0 | 0 | 112.3 | E93 V94 R99 L100 A101 | E93-S97 PolarHBondContact O-N 3.34Å; V94-S97 WeakPolarHBondContact CA-OG 3.21Å; V94-S97 PolarHBondContact O-N 3.31Å; V94-S97 PolarHBondContact O-OG 2.88Å; S97-R99 VanDerWaalsContact C-N 3.34Å; S97-R99 PolarHBondContact O-N 3.17Å; S97-L100 PolarHBondContact O-N 3.34Å; S97-A101 WeakPolarHBondContact O-CB 3.3Å; S97-A101 PolarHBondContact O-N 3.35Å |
| 98 | S | 89.5 | Confident | 86 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 177.8 | -170 | 0 | 0 | 0 | 0 | 111.5 | V94 A95 L96 A101 T102 S318 | V94-S98 WeakPolarHBondContact O-CB 3.2Å; V94-S98 PolarHBondContact O-N 2.95Å; A95-S98 PolarHBondContact O-N 3.03Å; L96-S98 VanDerWaalsContact C-N 3.35Å; L96-S98 PolarHBondContact O-N 2.84Å; S98-A101 PolarHBondContact O-N 3.44Å; S98-T102 WeakPolarHBondContact O-CB 3.4Å; S98-T102 PolarHBondContact O-N 2.76Å; S98-T102 PolarHBondContact O-OG1 3.16Å; S98-S318 WeakPolarHBondContact CB-OG 3.44Å; S98-S318 VanDerWaalsContact OG-CB 3.3Å; S98-S318 WeakPolarHBondContact OG-CB 3.42Å; S98-S318 PolarHBondContact OG-OG 3.25Å |
| 99 | R | 90.4 | Very high | 85 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.2 | -43.1 | -180 | -70.6 | 169.5 | 56.3 | 74.2 | -0.9 | 112 | A95 L96 S97 T102 M103 T121 L260 | A95-R99 VanDerWaalsContact O-CG 3.26Å; A95-R99 WeakPolarHBondContact O-CG 3.42Å; A95-R99 PolarHBondContact O-N 2.58Å; L96-R99 PolarHBondContact O-N 3.13Å; S97-R99 VanDerWaalsContact C-N 3.34Å; S97-R99 PolarHBondContact O-N 3.17Å; R99-T102 WeakPolarHBondContact O-CB 3.46Å; R99-T102 PolarHBondContact O-N 2.81Å; R99-M103 PolarHBondContact O-N 3.42Å; R99-T121 VanDerWaalsContact NE-CG2 3.34Å; R99-T121 PolarHBondContact NE-OG1 3.3Å; R99-T121 PolarHBondContact NH2-OG1 3.32Å; R99-T121 VanDerWaalsContact NH2-OG1 3.1Å; R99-L260 PolarHBondContact NH1-O 2.88Å; R99-L260 PolarHBondContact NH2-O 3.48Å |
| 100 | L | 91 | Very high | 84.7 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 175.1 | -71.2 | 173 | 0 | 0 | 0 | 111.5 | L96 S97 M103 V104 L117 F118 V178 Y179 V182 | L96-L100 HydrophobicContact CD1-CD1 4.02Å; L96-L100 HydrophobicContact CD1-CG 4.27Å; L96-L100 HydrophobicContact CG-CD1 4.02Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 2.83Å; S97-L100 PolarHBondContact O-N 3.34Å; L100-M103 WeakPolarHBondContact O-CB 3.34Å; L100-M103 PolarHBondContact O-N 2.99Å; L100-M103 VanDerWaalsContact O-N 3.14Å; L100-V104 PolarHBondContact O-N 2.86Å; L100-V104 VanDerWaalsContact O-N 3.09Å; L100-L117 HydrophobicContact CD2-CD2 4.49Å; L100-F118 HydrophobicContact CD1-CD2 4.33Å; L100-F118 HydrophobicContact CD2-CB 4.03Å; L100-V178 HydrophobicContact CD1-CG1 4.41Å; L100-Y179 HydrophobicContact CD1-CD2 4.01Å; L100-Y179 HydrophobicContact CD2-CD2 4.07Å; L100-Y179 HydrophobicContact CD2-CE2 4.36Å; L100-V182 HydrophobicContact CB-CB 4.44Å; L100-V182 HydrophobicContact CB-CG1 4.12Å; L100-V182 HydrophobicContact CB-CG2 3.98Å; L100-V182 HydrophobicContact CD1-CG2 4.28Å |
| 101 | A | 87.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | S97 S98 M103 V104 H105 P192 D193 | S97-A101 WeakPolarHBondContact O-CB 3.3Å; S97-A101 PolarHBondContact O-N 3.35Å; S98-A101 PolarHBondContact O-N 3.44Å; A101-M103 VanDerWaalsContact C-N 3.27Å; A101-M103 PolarHBondContact O-N 3.23Å; A101-V104 WeakPolarHBondContact O-CB 3.18Å; A101-V104 PolarHBondContact O-N 2.93Å; A101-V104 VanDerWaalsContact O-N 3.1Å; A101-H105 PolarHBondContact O-CD2 2.9Å; A101-H105 PolarHBondContact O-N 3.37Å; A101-P192 HydrophobicContact CB-CB 3.97Å; A101-P192 HydrophobicContact CB-CG 3.84Å; A101-D193 WeakPolarHBondContact CB-OD1 3.26Å |
| 102 | T | 84.7 | Confident | 84.4 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.7 | -41.5 | 171 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | S98 R99 V104 H105 F106 L260 T322 H325 | S98-T102 WeakPolarHBondContact O-CB 3.4Å; S98-T102 PolarHBondContact O-N 2.76Å; S98-T102 PolarHBondContact O-OG1 3.16Å; R99-T102 WeakPolarHBondContact O-CB 3.46Å; R99-T102 PolarHBondContact O-N 2.81Å; T102-V104 PolarHBondContact O-N 3.18Å; T102-H105 WeakPolarHBondContact O-CB 3.48Å; T102-H105 PolarHBondContact O-N 3.43Å; T102-F106 HydrophobicContact CG2-CD2 4.47Å; T102-F106 HydrophobicContact CG2-CE2 3.9Å; T102-F106 WeakPolarHBondContact O-CD2 3.28Å; T102-L260 HydrophobicContact CG2-CD2 3.99Å; T102-T322 PolarHBondContact OG1-OG1 3.39Å; T102-T322 VanDerWaalsContact OG1-OG1 3.07Å; T102-H325 HydrophobicContact CG2-CB 4.04Å |
| 103 | M | 85.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.1 | -35 | 177.3 | -172.7 | 89.3 | -72.7 | 0 | 0 | 113.1 | R99 L100 A101 H105 F106 F110 L113 L117 L257 L260 | R99-M103 PolarHBondContact O-N 3.42Å; L100-M103 WeakPolarHBondContact O-CB 3.34Å; L100-M103 PolarHBondContact O-N 2.99Å; L100-M103 VanDerWaalsContact O-N 3.14Å; A101-M103 VanDerWaalsContact C-N 3.27Å; A101-M103 PolarHBondContact O-N 3.23Å; M103-H105 PolarHBondContact O-N 3.49Å; M103-F106 HydrophobicContact CE-CB 3.82Å; M103-F106 HydrophobicContact CE-CD2 4.06Å; M103-F106 HydrophobicContact CE-CG 4.28Å; M103-F106 CarbonylContact O-C 3.6Å; M103-F106 WeakPolarHBondContact O-CA 3.42Å; M103-F106 PolarHBondContact O-N 3.09Å; M103-F110 HydrophobicContact CB-CD2 4.45Å; M103-F110 HydrophobicContact CG-CD2 4.03Å; M103-L113 HydrophobicContact SD-CB 4.31Å; M103-L117 HydrophobicContact CB-CD2 3.52Å; M103-L117 HydrophobicContact CG-CD2 3.86Å; M103-L117 HydrophobicContact SD-CB 4.27Å; M103-L117 HydrophobicContact SD-CD2 3.73Å; M103-L257 HydrophobicContact CE-CD2 3.48Å; M103-L257 VanDerWaalsContact CE-CD2 3.48Å; M103-L257 HydrophobicContact CE-CG 4.08Å; M103-L257 HydrophobicContact SD-CD2 3.82Å; M103-L260 HydrophobicContact CE-CD1 3.72Å; M103-L260 HydrophobicContact SD-CD1 4.34Å |
| 104 | V | 84.7 | Confident | 83.9 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.3 | -34.7 | 175.1 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | L100 A101 T102 F106 R107 F110 V182 V186 P192 | L100-V104 PolarHBondContact O-N 2.86Å; L100-V104 VanDerWaalsContact O-N 3.09Å; A101-V104 WeakPolarHBondContact O-CB 3.18Å; A101-V104 PolarHBondContact O-N 2.93Å; A101-V104 VanDerWaalsContact O-N 3.1Å; T102-V104 PolarHBondContact O-N 3.18Å; V104-F106 PolarHBondContact O-N 3.25Å; V104-R107 PolarHBondContact O-N 3.3Å; V104-F110 HydrophobicContact CB-CD2 4.32Å; V104-F110 HydrophobicContact CB-CE2 4.4Å; V104-F110 HydrophobicContact CG2-CD2 3.62Å; V104-F110 HydrophobicContact CG2-CE2 3.27Å; V104-F110 HydrophobicContact CG2-CG 4.47Å; V104-F110 HydrophobicContact CG2-CZ 3.87Å; V104-V182 HydrophobicContact CG2-CG1 3.76Å; V104-V186 HydrophobicContact CB-CG2 4.32Å; V104-V186 HydrophobicContact CG1-CG2 3.76Å; V104-V186 HydrophobicContact CG2-CG2 3.53Å; V104-P192 HydrophobicContact CB-CG 4.08Å; V104-P192 HydrophobicContact CG1-CG 4.14Å; V104-P192 HydrophobicContact CG2-CG 4.08Å |
| 105 | H | 77.4 | Confident | 83.9 | Confident | 43 Ų | 43 | 42.5 Ų | 42.5 | 20% | 0.199 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.8 | -26.7 | 175.1 | -66.7 | -75.6 | 0 | 0 | 0 | 112.5 | L25 A101 T102 M103 R107 D193 T322 | L25-H105 WeakPolarHBondContact CD2-CE1 3.18Å; L25-H105 WeakPolarHBondContact CD2-ND1 3.47Å; A101-H105 PolarHBondContact O-CD2 2.9Å; A101-H105 PolarHBondContact O-N 3.37Å; T102-H105 WeakPolarHBondContact O-CB 3.48Å; T102-H105 PolarHBondContact O-N 3.43Å; M103-H105 PolarHBondContact O-N 3.49Å; H105-R107 PolarHBondContact O-N 2.98Å; H105-D193 IonicContact CD2-OD2 2.96Å; H105-D193 IonicContact CE1-OD2 3.16Å; H105-D193 IonicContact NE2-OD2 3.05Å; H105-D193 PolarHBondContact NE2-OD2 2.97Å; H105-T322 WeakPolarHBondContact CD2-CG2 3.45Å |
| 106 | F | 74.7 | Confident | 83.9 | Confident | 47 Ų | 47 | 44.2 Ų | 44.2 | 21% | 0.206 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -86 | 60 | 171.9 | -63.2 | -74.6 | 0 | 0 | 0 | 111.5 | T102 M103 V104 R108 K109 L260 C329 | T102-F106 HydrophobicContact CG2-CD2 4.47Å; T102-F106 HydrophobicContact CG2-CE2 3.9Å; T102-F106 WeakPolarHBondContact O-CD2 3.28Å; M103-F106 HydrophobicContact CE-CB 3.82Å; M103-F106 HydrophobicContact CE-CD2 4.06Å; M103-F106 HydrophobicContact CE-CG 4.28Å; M103-F106 CarbonylContact O-C 3.6Å; M103-F106 WeakPolarHBondContact O-CA 3.42Å; M103-F106 PolarHBondContact O-N 3.09Å; V104-F106 PolarHBondContact O-N 3.25Å; F106-R108 VanDerWaalsContact C-N 3.28Å; F106-R108 PolarHBondContact O-N 3.31Å; F106-K109 PolarHBondContact O-N 3.23Å; F106-L260 HydrophobicContact CD2-CD1 4.3Å; F106-L260 HydrophobicContact CE2-CD1 4.31Å; F106-C329 HydrophobicContact CE1-CB 3.79Å; F106-C329 HydrophobicContact CZ-CB 3.99Å |
| 107 | R | 66.3 | Low | 83.7 | Confident | 78 Ų | 78 | 44.2 Ų | 44.2 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -38.1 | -45.1 | -170.5 | -59.8 | 179.4 | -175.2 | 175.5 | -0.8 | 116.2 | S22 V104 H105 K109 | S22-R107 PolarHBondContact O-NH2 3.44Å; S22-R107 VanDerWaalsContact O-NH2 3.1Å; S22-R107 PolarHBondContact OG-NH1 3.03Å; V104-R107 PolarHBondContact O-N 3.3Å; H105-R107 PolarHBondContact O-N 2.98Å; R107-K109 PolarHBondContact O-N 3.48Å |
| 108 | R | 69.4 | Low | 83.8 | Confident | 234 Ų | 234 | 44.8 Ų | 44.8 | 88% | 0.883 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -68.3 | -21.1 | -171.5 | -168.5 | 170.4 | 175.8 | 147.6 | -0.1 | 113.1 | F106 | F106-R108 VanDerWaalsContact C-N 3.28Å; F106-R108 PolarHBondContact O-N 3.31Å |
| 109 | K | 72.6 | Confident | 84 | Confident | 48 Ų | 48 | 45.7 Ų | 45.7 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -117.8 | 0.9 | -170.5 | -75.1 | -175.9 | 174.5 | -174.8 | 0 | 113.7 | F106 R107 E112 L113 S254 L257 | F106-K109 PolarHBondContact O-N 3.23Å; R107-K109 PolarHBondContact O-N 3.48Å; K109-E112 PolarHBondContact O-N 3.1Å; K109-L113 HydrophobicContact CB-CD1 3.69Å; K109-L113 HydrophobicContact CD-CD1 4.05Å; K109-L113 HydrophobicContact CG-CD1 3.96Å; K109-L113 PolarHBondContact O-N 2.95Å; K109-S254 PolarHBondContact NZ-OG 2.85Å; K109-L257 HydrophobicContact CD-CD1 3.4Å |
| 110 | F | 82.3 | Confident | 84.2 | Confident | 9 Ų | 9 | 46 Ų | 46 | 4% | 0.039 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.6 | -53.3 | -176.7 | -176.4 | -100.6 | 0 | 0 | 0 | 111.5 | M103 V104 E112 L113 S114 V182 V186 | M103-F110 HydrophobicContact CB-CD2 4.45Å; M103-F110 HydrophobicContact CG-CD2 4.03Å; V104-F110 HydrophobicContact CB-CD2 4.32Å; V104-F110 HydrophobicContact CB-CE2 4.4Å; V104-F110 HydrophobicContact CG2-CD2 3.62Å; V104-F110 HydrophobicContact CG2-CE2 3.27Å; V104-F110 HydrophobicContact CG2-CG 4.47Å; V104-F110 HydrophobicContact CG2-CZ 3.87Å; F110-E112 PolarHBondContact O-N 2.86Å; F110-L113 PolarHBondContact O-N 3.08Å; F110-S114 WeakPolarHBondContact O-CA 3.2Å; F110-S114 WeakPolarHBondContact O-CB 3.05Å; F110-S114 PolarHBondContact O-N 3.07Å; F110-S114 PolarHBondContact O-OG 3.31Å; F110-V182 HydrophobicContact CE2-CG1 4.33Å; F110-V182 HydrophobicContact CZ-CG1 4.24Å; F110-V186 HydrophobicContact CD1-CG1 4.46Å; F110-V186 HydrophobicContact CD1-CG2 4.38Å; F110-V186 HydrophobicContact CE1-CB 4.38Å; F110-V186 HydrophobicContact CE1-CG1 4.38Å; F110-V186 HydrophobicContact CE1-CG2 3.86Å; F110-V186 HydrophobicContact CZ-CG2 3.94Å |
| 111 | N | 80.6 | Confident | 84.3 | Confident | 110 Ų | 110 | 46 Ų | 46 | 59% | 0.588 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -63 | -28.7 | -177.8 | -72.3 | -0.2 | 0 | 0 | 0 | 114.2 | F18 | F18-N111 WeakPolarHBondContact CE2-ND2 3.31Å; F18-N111 VanDerWaalsContact CZ-ND2 3.31Å; F18-N111 WeakPolarHBondContact CZ-ND2 3.33Å |
| 112 | E | 82.2 | Confident | 84.7 | Confident | 155 Ų | 155 | 47.1 Ų | 47.1 | 72% | 0.724 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -86.7 | -35.8 | -177 | -68.9 | 175.3 | -173 | 0 | 0 | 112.2 | K109 F110 | K109-E112 PolarHBondContact O-N 3.1Å; F110-E112 PolarHBondContact O-N 2.86Å |
| 113 | L | 86 | Confident | 85.2 | Confident | 29 Ų | 29 | 47.4 Ų | 47.4 | 15% | 0.152 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -118.2 | -6.2 | -170 | -69.1 | 106.4 | 0 | 0 | 0 | 114.9 | M103 K109 F110 F115 W116 L117 V253 L257 | M103-L113 HydrophobicContact SD-CB 4.31Å; K109-L113 HydrophobicContact CB-CD1 3.69Å; K109-L113 HydrophobicContact CD-CD1 4.05Å; K109-L113 HydrophobicContact CG-CD1 3.96Å; K109-L113 PolarHBondContact O-N 2.95Å; F110-L113 PolarHBondContact O-N 3.08Å; L113-F115 PolarHBondContact O-N 3.47Å; L113-W116 HydrophobicContact CD2-CE3 4.44Å; L113-W116 PolarHBondContact O-N 3.22Å; L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 PolarHBondContact O-N 3.04Å; L113-V253 HydrophobicContact CD2-CG1 3.95Å; L113-L257 HydrophobicContact CB-CD2 4.37Å; L113-L257 HydrophobicContact CD2-CD2 3.87Å |
| 114 | S | 89 | Confident | 85.7 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | -179.4 | 60.6 | 0 | 0 | 0 | 0 | 112.1 | F110 L117 F118 Y179 | F110-S114 WeakPolarHBondContact O-CA 3.2Å; F110-S114 WeakPolarHBondContact O-CB 3.05Å; F110-S114 PolarHBondContact O-N 3.07Å; F110-S114 PolarHBondContact O-OG 3.31Å; S114-L117 PolarHBondContact O-N 3.45Å; S114-F118 VanDerWaalsContact O-CB 3.28Å; S114-F118 WeakPolarHBondContact O-CB 3.46Å; S114-F118 PolarHBondContact O-N 3.5Å; S114-Y179 PolarHBondContact OG-OH 3Å |
| 115 | F | 91.7 | Very high | 86.2 | Confident | 127 Ų | 127 | 47.4 Ų | 47.4 | 56% | 0.557 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -66 | -39.4 | 178.3 | -176.4 | -102.4 | 0 | 0 | 0 | 111.8 | L113 F118 A119 Y179 | L113-F115 PolarHBondContact O-N 3.47Å; F115-F118 HydrophobicContact CD2-CD1 4.11Å; F115-F118 HydrophobicContact CE2-CD1 4.14Å; F115-F118 HydrophobicContact CE2-CE1 4.49Å; F115-F118 WeakPolarHBondContact O-CB 3.45Å; F115-F118 PolarHBondContact O-N 3.22Å; F115-A119 WeakPolarHBondContact O-CB 3.14Å; F115-A119 PolarHBondContact O-N 2.99Å; F115-Y179 HydrophobicContact CD2-CE1 4.42Å; F115-Y179 PolarHBondContact N-OH 3.34Å |
| 116 | W | 90.6 | Very high | 87.2 | Confident | 36 Ų | 36 | 46 Ų | 46 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 175.4 | 175 | 80.8 | 0 | 0 | 0 | 111.5 | L113 F118 A119 T120 H248 V253 I261 | L113-W116 HydrophobicContact CD2-CE3 4.44Å; L113-W116 PolarHBondContact O-N 3.22Å; W116-F118 VanDerWaalsContact C-N 3.32Å; W116-F118 PolarHBondContact O-N 3.4Å; W116-A119 PolarHBondContact O-N 2.98Å; W116-T120 HydrophobicContact CD2-CG2 4.32Å; W116-T120 HydrophobicContact CZ2-CG2 3.97Å; W116-T120 WeakPolarHBondContact O-CB 3.3Å; W116-T120 WeakPolarHBondContact O-CG2 3.34Å; W116-T120 PolarHBondContact O-N 3.44Å; W116-T120 PolarHBondContact O-OG1 3.4Å; W116-H248 AromaticContact CD1-CE1 3.92Å; W116-H248 AromaticContact CD1-ND1 3.83Å; W116-H248 AromaticContact NE1-CE1 3.78Å; W116-H248 AromaticContact NE1-CG 3.75Å; W116-H248 AromaticContact NE1-ND1 3.23Å; W116-H248 PolarHBondContact NE1-ND1 3.46Å; W116-V253 HydrophobicContact CH2-CG2 3.95Å; W116-V253 HydrophobicContact CZ2-CG2 4.15Å; W116-V253 HydrophobicContact CZ3-CG2 4.47Å; W116-I261 HydrophobicContact CH2-CG1 4.14Å |
| 117 | L | 90.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 176 | -177.4 | 67 | 0 | 0 | 0 | 111.3 | L100 M103 L113 S114 T120 T121 L260 | L100-L117 HydrophobicContact CD2-CD2 4.49Å; M103-L117 HydrophobicContact CB-CD2 3.52Å; M103-L117 HydrophobicContact CG-CD2 3.86Å; M103-L117 HydrophobicContact SD-CB 4.27Å; M103-L117 HydrophobicContact SD-CD2 3.73Å; L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 PolarHBondContact O-N 3.04Å; S114-L117 PolarHBondContact O-N 3.45Å; L117-T120 WeakPolarHBondContact CA-OG1 3.02Å; L117-T120 PolarHBondContact O-OG1 2.87Å; L117-T120 VanDerWaalsContact O-OG1 3.12Å; L117-T121 WeakPolarHBondContact O-CB 3.36Å; L117-T121 PolarHBondContact O-N 3.2Å; L117-T121 PolarHBondContact O-OG1 2.92Å; L117-L260 HydrophobicContact CD1-CB 4.16Å |
| 118 | F | 93.8 | Very high | 89.6 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 6% | 0.057 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.5 | -55.1 | 174.8 | 168.8 | -112.9 | 0 | 0 | 0 | 111.1 | L96 L100 S114 F115 W116 T120 T121 L122 G175 T176 Y179 | L96-F118 HydrophobicContact CD1-CD2 4.19Å; L96-F118 HydrophobicContact CD2-CD2 4.45Å; L96-F118 HydrophobicContact CD2-CE2 4.23Å; L100-F118 HydrophobicContact CD1-CD2 4.33Å; L100-F118 HydrophobicContact CD2-CB 4.03Å; S114-F118 VanDerWaalsContact O-CB 3.28Å; S114-F118 WeakPolarHBondContact O-CB 3.46Å; S114-F118 PolarHBondContact O-N 3.5Å; F115-F118 HydrophobicContact CD2-CD1 4.11Å; F115-F118 HydrophobicContact CE2-CD1 4.14Å; F115-F118 HydrophobicContact CE2-CE1 4.49Å; F115-F118 WeakPolarHBondContact O-CB 3.45Å; F115-F118 PolarHBondContact O-N 3.22Å; W116-F118 VanDerWaalsContact C-N 3.32Å; W116-F118 PolarHBondContact O-N 3.4Å; F118-T120 PolarHBondContact O-N 3.1Å; F118-T121 PolarHBondContact O-N 3.19Å; F118-L122 HydrophobicContact CE1-CD2 4.14Å; F118-L122 HydrophobicContact CE2-CB 4.39Å; F118-L122 HydrophobicContact CE2-CD2 4.27Å; F118-L122 HydrophobicContact CZ-CD2 3.71Å; F118-L122 VanDerWaalsContact O-CB 3.23Å; F118-L122 WeakPolarHBondContact O-CB 3.42Å; F118-L122 PolarHBondContact O-N 3.12Å; F118-G175 VanDerWaalsContact CE2-O 3.27Å; F118-G175 WeakPolarHBondContact CE2-O 3.28Å; F118-T176 HydrophobicContact CZ-CG2 4.12Å; F118-Y179 HydrophobicContact CB-CD2 3.59Å; F118-Y179 HydrophobicContact CB-CE2 3.72Å; F118-Y179 HydrophobicContact CB-CG 4.31Å; F118-Y179 HydrophobicContact CD1-CD1 4.35Å; F118-Y179 HydrophobicContact CD1-CD2 4.23Å; F118-Y179 HydrophobicContact CD1-CG 4.12Å; F118-Y179 AromaticContact CD2-CD2 3.82Å; F118-Y179 HydrophobicContact CD2-CD2 3.82Å; F118-Y179 AromaticContact CD2-CG 3.86Å; F118-Y179 HydrophobicContact CD2-CG 3.86Å; F118-Y179 HydrophobicContact CE1-CG 4.43Å; F118-Y179 HydrophobicContact CE2-CG 4.21Å; F118-Y179 HydrophobicContact CG-CD1 4.47Å; F118-Y179 AromaticContact CG-CD2 3.6Å; F118-Y179 HydrophobicContact CG-CD2 3.6Å; F118-Y179 HydrophobicContact CG-CE2 4.1Å; F118-Y179 AromaticContact CG-CG 3.81Å; F118-Y179 HydrophobicContact CG-CG 3.81Å; F118-Y179 HydrophobicContact CZ-CG 4.46Å |
| 119 | A | 94.4 | Very high | 90.9 | Very high | 18 Ų | 18 | 29.8 Ų | 29.8 | 15% | 0.149 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F115 W116 L122 A123 Y244 | F115-A119 WeakPolarHBondContact O-CB 3.14Å; F115-A119 PolarHBondContact O-N 2.99Å; W116-A119 PolarHBondContact O-N 2.98Å; A119-L122 PolarHBondContact O-N 2.84Å; A119-A123 WeakPolarHBondContact O-CB 3.47Å; A119-A123 PolarHBondContact O-N 3.49Å; A119-Y244 HydrophobicContact CB-CE1 3.93Å; A119-Y244 VanDerWaalsContact CB-OH 3.24Å; A119-Y244 WeakPolarHBondContact CB-OH 3.31Å |
| 120 | T | 92.8 | Very high | 92 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.4 | -42.8 | 175.8 | 51.1 | 0 | 0 | 0 | 0 | 111.7 | W116 L117 F118 F124 Y244 H248 I262 | W116-T120 HydrophobicContact CD2-CG2 4.32Å; W116-T120 HydrophobicContact CZ2-CG2 3.97Å; W116-T120 WeakPolarHBondContact O-CB 3.3Å; W116-T120 WeakPolarHBondContact O-CG2 3.34Å; W116-T120 PolarHBondContact O-N 3.44Å; W116-T120 PolarHBondContact O-OG1 3.4Å; L117-T120 WeakPolarHBondContact CA-OG1 3.02Å; L117-T120 PolarHBondContact O-OG1 2.87Å; L117-T120 VanDerWaalsContact O-OG1 3.12Å; F118-T120 PolarHBondContact O-N 3.1Å; T120-F124 WeakPolarHBondContact O-CB 3.41Å; T120-F124 PolarHBondContact O-N 2.68Å; T120-F124 VanDerWaalsContact O-N 3.1Å; T120-Y244 HydrophobicContact CG2-CE1 3.72Å; T120-H248 HydrophobicContact CG2-CB 4.08Å; T120-I262 WeakPolarHBondContact O-CD1 3.34Å |
| 121 | T | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.2 | -39.4 | 176.9 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | L96 R99 L117 F118 F124 I125 I262 F488 | L96-T121 HydrophobicContact CB-CG2 4.37Å; L96-T121 HydrophobicContact CD1-CG2 3.5Å; L96-T121 VanDerWaalsContact CD1-CG2 3.5Å; R99-T121 VanDerWaalsContact NE-CG2 3.34Å; R99-T121 PolarHBondContact NE-OG1 3.3Å; R99-T121 PolarHBondContact NH2-OG1 3.32Å; R99-T121 VanDerWaalsContact NH2-OG1 3.1Å; L117-T121 WeakPolarHBondContact O-CB 3.36Å; L117-T121 PolarHBondContact O-N 3.2Å; L117-T121 PolarHBondContact O-OG1 2.92Å; F118-T121 PolarHBondContact O-N 3.19Å; T121-F124 PolarHBondContact O-N 2.72Å; T121-I125 HydrophobicContact CG2-CG2 4.42Å; T121-I125 WeakPolarHBondContact O-CG1 3.2Å; T121-I125 WeakPolarHBondContact O-CG2 3.4Å; T121-I125 PolarHBondContact O-N 2.85Å; T121-I262 VanDerWaalsContact CA-CD1 3.47Å; T121-I262 HydrophobicContact CG2-CD1 4.46Å; T121-F488 HydrophobicContact CG2-CZ 4.01Å |
| 122 | L | 95.8 | Very high | 93.4 | Very high | 25 Ų | 25 | 24.5 Ų | 24.5 | 13% | 0.131 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.1 | -48.2 | 176.5 | -176.5 | 63 | 0 | 0 | 0 | 111.3 | F118 A119 F124 I125 L126 T171 | F118-L122 HydrophobicContact CE1-CD2 4.14Å; F118-L122 HydrophobicContact CE2-CB 4.39Å; F118-L122 HydrophobicContact CE2-CD2 4.27Å; F118-L122 HydrophobicContact CZ-CD2 3.71Å; F118-L122 VanDerWaalsContact O-CB 3.23Å; F118-L122 WeakPolarHBondContact O-CB 3.42Å; F118-L122 PolarHBondContact O-N 3.12Å; A119-L122 PolarHBondContact O-N 2.84Å; L122-F124 VanDerWaalsContact C-N 3.29Å; L122-F124 PolarHBondContact O-N 3Å; L122-I125 HydrophobicContact CD1-CD1 4Å; L122-I125 HydrophobicContact CD1-CG1 4.22Å; L122-I125 WeakPolarHBondContact O-CG1 3.41Å; L122-I125 PolarHBondContact O-N 3.49Å; L122-L126 HydrophobicContact CD1-CD1 4.49Å; L122-L126 HydrophobicContact CD1-CG 4.49Å; L122-L126 HydrophobicContact CG-CD1 4.15Å; L122-L126 WeakPolarHBondContact O-CB 3.5Å; L122-L126 VanDerWaalsContact O-CG 3.3Å; L122-L126 WeakPolarHBondContact O-CG 3.28Å; L122-L126 PolarHBondContact O-N 3.17Å; L122-T171 HydrophobicContact CD1-CG2 4.32Å |
| 123 | A | 95.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 17.1 Ų | 17.1 | 6% | 0.058 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A119 L126 V127 S241 Y244 L245 | A119-A123 WeakPolarHBondContact O-CB 3.47Å; A119-A123 PolarHBondContact O-N 3.49Å; A123-L126 PolarHBondContact O-N 3.36Å; A123-V127 WeakPolarHBondContact O-CG2 3.08Å; A123-V127 PolarHBondContact O-N 3.45Å; A123-S241 WeakPolarHBondContact O-CB 3.47Å; A123-Y244 HydrophobicContact CB-CD1 3.81Å; A123-L245 HydrophobicContact CB-CD2 4.19Å; A123-L245 HydrophobicContact CB-CG 4.03Å |
| 124 | F | 95.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 2% | 0.018 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.9 | -47.7 | 177.6 | -177.8 | -111.4 | 0 | 0 | 0 | 113.1 | T120 T121 L122 L126 V127 L128 L245 I262 T266 F267 F488 | T120-F124 WeakPolarHBondContact O-CB 3.41Å; T120-F124 PolarHBondContact O-N 2.68Å; T120-F124 VanDerWaalsContact O-N 3.1Å; T121-F124 PolarHBondContact O-N 2.72Å; L122-F124 VanDerWaalsContact C-N 3.29Å; L122-F124 PolarHBondContact O-N 3Å; F124-L126 VanDerWaalsContact C-N 3.27Å; F124-L126 PolarHBondContact O-N 2.63Å; F124-V127 PolarHBondContact O-N 3Å; F124-L128 HydrophobicContact CD1-CD1 3.97Å; F124-L128 HydrophobicContact CE1-CD1 3.49Å; F124-L128 VanDerWaalsContact CE1-CD1 3.49Å; F124-L128 HydrophobicContact CE1-CG 4.23Å; F124-L128 HydrophobicContact CZ-CD1 3.88Å; F124-L128 HydrophobicContact CZ-CD2 4.36Å; F124-L128 HydrophobicContact CZ-CG 4.27Å; F124-L128 PolarHBondContact O-N 3.46Å; F124-L128 VanDerWaalsContact O-N 3.08Å; F124-L245 HydrophobicContact CB-CD1 4.34Å; F124-L245 HydrophobicContact CB-CD2 4.22Å; F124-L245 HydrophobicContact CD2-CD1 4.43Å; F124-I262 HydrophobicContact CB-CD1 3.55Å; F124-I262 HydrophobicContact CB-CG2 4.06Å; F124-I262 HydrophobicContact CD1-CD1 4.13Å; F124-I262 HydrophobicContact CD1-CG2 4.36Å; F124-I262 HydrophobicContact CD2-CG2 3.54Å; F124-I262 HydrophobicContact CE2-CG2 4.02Å; F124-I262 HydrophobicContact CG-CD1 3.94Å; F124-I262 HydrophobicContact CG-CG2 3.73Å; F124-T266 HydrophobicContact CE1-CG2 4.2Å; F124-T266 HydrophobicContact CZ-CG2 3.93Å; F124-F267 HydrophobicContact CE2-CB 3.99Å; F124-F267 AromaticContact CE2-CD2 3.99Å; F124-F267 HydrophobicContact CE2-CD2 3.99Å; F124-F488 HydrophobicContact CD1-CD2 4.47Å; F124-F488 HydrophobicContact CD1-CE1 4.24Å; F124-F488 AromaticContact CD1-CE2 3.78Å; F124-F488 HydrophobicContact CD1-CE2 3.78Å; F124-F488 AromaticContact CD1-CZ 3.66Å; F124-F488 HydrophobicContact CD1-CZ 3.66Å; F124-F488 HydrophobicContact CE1-CD1 4.41Å; F124-F488 AromaticContact CE1-CD2 3.88Å; F124-F488 HydrophobicContact CE1-CD2 3.88Å; F124-F488 HydrophobicContact CE1-CE1 4.22Å; F124-F488 AromaticContact CE1-CE2 3.65Å; F124-F488 HydrophobicContact CE1-CE2 3.65Å; F124-F488 HydrophobicContact CE1-CG 4.26Å; F124-F488 AromaticContact CE1-CZ 3.84Å; F124-F488 HydrophobicContact CE1-CZ 3.84Å |
| 125 | I | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.7 | -28.3 | 179 | 65.5 | 177.2 | 0 | 0 | 0 | 112.3 | L92 L96 T121 L122 L128 A129 T171 F488 | L92-I125 HydrophobicContact CB-CB 4.14Å; L92-I125 HydrophobicContact CB-CG2 4.29Å; L92-I125 HydrophobicContact CD1-CB 4.43Å; L92-I125 HydrophobicContact CD2-CB 4.24Å; L92-I125 HydrophobicContact CD2-CG2 4.26Å; L92-I125 HydrophobicContact CG-CB 4.5Å; L96-I125 HydrophobicContact CB-CD1 4.32Å; L96-I125 HydrophobicContact CD2-CD1 4.09Å; T121-I125 HydrophobicContact CG2-CG2 4.42Å; T121-I125 WeakPolarHBondContact O-CG1 3.2Å; T121-I125 WeakPolarHBondContact O-CG2 3.4Å; T121-I125 PolarHBondContact O-N 2.85Å; L122-I125 HydrophobicContact CD1-CD1 4Å; L122-I125 HydrophobicContact CD1-CG1 4.22Å; L122-I125 WeakPolarHBondContact O-CG1 3.41Å; L122-I125 PolarHBondContact O-N 3.49Å; I125-L128 CarbonylContact O-C 3.53Å; I125-L128 PolarHBondContact O-N 3.4Å; I125-A129 VanDerWaalsContact O-CB 3.26Å; I125-A129 WeakPolarHBondContact O-CB 3.14Å; I125-A129 PolarHBondContact O-N 2.89Å; I125-T171 HydrophobicContact CB-CG2 4.48Å; I125-T171 HydrophobicContact CD1-CG2 3.61Å; I125-T171 HydrophobicContact CG1-CG2 3.65Å; I125-F488 HydrophobicContact CG2-CE1 3.63Å; I125-F488 HydrophobicContact CG2-CZ 3.92Å |
| 126 | L | 96.8 | Very high | 95 | Very high | 14 Ų | 14 | 13.2 Ų | 13.2 | 7% | 0.073 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 172.7 | -77.2 | 169.8 | 0 | 0 | 0 | 112 | L122 A123 F124 L128 A129 V130 T171 V237 | L122-L126 HydrophobicContact CD1-CD1 4.49Å; L122-L126 HydrophobicContact CD1-CG 4.49Å; L122-L126 HydrophobicContact CG-CD1 4.15Å; L122-L126 WeakPolarHBondContact O-CB 3.5Å; L122-L126 VanDerWaalsContact O-CG 3.3Å; L122-L126 WeakPolarHBondContact O-CG 3.28Å; L122-L126 PolarHBondContact O-N 3.17Å; A123-L126 PolarHBondContact O-N 3.36Å; F124-L126 VanDerWaalsContact C-N 3.27Å; F124-L126 PolarHBondContact O-N 2.63Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L126-A129 PolarHBondContact O-N 2.99Å; L126-V130 WeakPolarHBondContact O-CG2 3.18Å; L126-V130 PolarHBondContact O-N 3.03Å; L126-T171 HydrophobicContact CD2-CG2 3.78Å; L126-T171 HydrophobicContact CG-CG2 4.15Å; L126-V237 HydrophobicContact CB-CG1 3.83Å; L126-V237 HydrophobicContact CD1-CG1 4.39Å; L126-V237 HydrophobicContact CD2-CG1 4.23Å; L126-V237 HydrophobicContact CG-CG1 4.38Å |
| 127 | V | 96.3 | Very high | 95.2 | Very high | 18 Ų | 18 | 11.5 Ų | 11.5 | 11% | 0.109 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 172.5 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | A123 F124 A129 V130 F131 I242 L245 F267 | A123-V127 WeakPolarHBondContact O-CG2 3.08Å; A123-V127 PolarHBondContact O-N 3.45Å; F124-V127 PolarHBondContact O-N 3Å; V127-A129 VanDerWaalsContact C-N 3.35Å; V127-A129 PolarHBondContact O-N 2.81Å; V127-V130 PolarHBondContact O-N 3.44Å; V127-F131 WeakPolarHBondContact O-CB 3.1Å; V127-F131 PolarHBondContact O-N 3.5Å; V127-I242 HydrophobicContact CG2-CG1 3.96Å; V127-L245 HydrophobicContact CG2-CD1 4.32Å; V127-F267 HydrophobicContact CG1-CE2 4.05Å |
| 128 | L | 95.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.8 | -37.2 | 176.5 | -65.2 | -178.8 | 0 | 0 | 0 | 112.6 | L92 F124 I125 L126 F131 A132 F267 T270 L274 F488 | L92-L128 HydrophobicContact CD2-CB 3.83Å; L92-L128 HydrophobicContact CD2-CD1 3.9Å; F124-L128 HydrophobicContact CD1-CD1 3.97Å; F124-L128 HydrophobicContact CE1-CD1 3.49Å; F124-L128 VanDerWaalsContact CE1-CD1 3.49Å; F124-L128 HydrophobicContact CE1-CG 4.23Å; F124-L128 HydrophobicContact CZ-CD1 3.88Å; F124-L128 HydrophobicContact CZ-CD2 4.36Å; F124-L128 HydrophobicContact CZ-CG 4.27Å; F124-L128 PolarHBondContact O-N 3.46Å; F124-L128 VanDerWaalsContact O-N 3.08Å; I125-L128 CarbonylContact O-C 3.53Å; I125-L128 PolarHBondContact O-N 3.4Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L128-F131 PolarHBondContact O-N 3.44Å; L128-A132 WeakPolarHBondContact O-CB 3.36Å; L128-A132 PolarHBondContact O-N 3.3Å; L128-F267 HydrophobicContact CD2-CD2 3.92Å; L128-F267 HydrophobicContact CD2-CE2 3.76Å; L128-T270 HydrophobicContact CD1-CG2 3.79Å; L128-T270 HydrophobicContact CD2-CG2 4.38Å; L128-L274 HydrophobicContact CB-CD2 3.94Å; L128-L274 HydrophobicContact CD1-CD2 4.4Å; L128-L274 HydrophobicContact CD2-CD2 3.89Å; L128-L274 HydrophobicContact CG-CD2 4.3Å; L128-F488 HydrophobicContact CD1-CD1 4.48Å |
| 129 | A | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.5 | -44.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L92 I125 L126 V127 S133 C167 | L92-A129 HydrophobicContact CD1-CB 3.77Å; I125-A129 VanDerWaalsContact O-CB 3.26Å; I125-A129 WeakPolarHBondContact O-CB 3.14Å; I125-A129 PolarHBondContact O-N 2.89Å; L126-A129 PolarHBondContact O-N 2.99Å; V127-A129 VanDerWaalsContact C-N 3.35Å; V127-A129 PolarHBondContact O-N 2.81Å; A129-S133 WeakPolarHBondContact O-CB 3.37Å; A129-S133 PolarHBondContact O-N 3.4Å; A129-S133 PolarHBondContact O-OG 3.42Å; A129-C167 HydrophobicContact CB-CB 4.23Å |
| 130 | V | 96.7 | Very high | 95.5 | Very high | 6 Ų | 6 | 15.1 Ų | 15.1 | 4% | 0.036 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.3 | -48.4 | 174.6 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | L126 V127 A132 S133 T134 I168 I234 V237 L238 | L126-V130 WeakPolarHBondContact O-CG2 3.18Å; L126-V130 PolarHBondContact O-N 3.03Å; V127-V130 PolarHBondContact O-N 3.44Å; V130-A132 PolarHBondContact O-N 3.45Å; V130-S133 WeakPolarHBondContact CA-OG 3.35Å; V130-S133 PolarHBondContact O-N 3.2Å; V130-S133 PolarHBondContact O-OG 3.46Å; V130-T134 WeakPolarHBondContact O-CG2 3.16Å; V130-T134 PolarHBondContact O-N 3.08Å; V130-T134 VanDerWaalsContact O-N 3.11Å; V130-T134 PolarHBondContact O-OG1 2.98Å; V130-I168 HydrophobicContact CG2-CD1 3.99Å; V130-I168 HydrophobicContact CG2-CG1 3.96Å; V130-I234 HydrophobicContact CG1-CG2 3.86Å; V130-V237 HydrophobicContact CG2-CG1 4.16Å; V130-L238 HydrophobicContact CB-CD2 4.02Å; V130-L238 HydrophobicContact CB-CG 4.47Å; V130-L238 HydrophobicContact CG1-CD1 3.96Å; V130-L238 HydrophobicContact CG1-CD2 3.9Å; V130-L238 HydrophobicContact CG1-CG 4Å; V130-L238 HydrophobicContact CG2-CD2 4.33Å; V130-L238 HydrophobicContact CG2-CG 4.49Å |
| 131 | F | 95.9 | Very high | 95.5 | Very high | 50 Ų | 50 | 16.9 Ų | 16.9 | 22% | 0.219 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -55.7 | -52 | 176.7 | 171.7 | -100.1 | 0 | 0 | 0 | 111.7 | V127 L128 T134 I135 I271 L274 | V127-F131 WeakPolarHBondContact O-CB 3.1Å; V127-F131 PolarHBondContact O-N 3.5Å; L128-F131 PolarHBondContact O-N 3.44Å; F131-T134 PolarHBondContact O-N 2.95Å; F131-T134 PolarHBondContact O-OG1 3.28Å; F131-I135 HydrophobicContact CD1-CD1 4.1Å; F131-I135 HydrophobicContact CD2-CD1 4.03Å; F131-I135 HydrophobicContact CE1-CD1 3.51Å; F131-I135 HydrophobicContact CE2-CD1 3.43Å; F131-I135 VanDerWaalsContact CE2-CD1 3.43Å; F131-I135 HydrophobicContact CG-CD1 4.34Å; F131-I135 HydrophobicContact CZ-CD1 3.13Å; F131-I135 WeakPolarHBondContact O-CG1 3.2Å; F131-I135 PolarHBondContact O-N 3.37Å; F131-I271 HydrophobicContact CD1-CG1 4.46Å; F131-I271 HydrophobicContact CE1-CD1 4.09Å; F131-I271 HydrophobicContact CE1-CG1 3.58Å; F131-I271 HydrophobicContact CE2-CD1 3.78Å; F131-I271 HydrophobicContact CE2-CG1 4.21Å; F131-I271 HydrophobicContact CZ-CD1 3.48Å; F131-I271 VanDerWaalsContact CZ-CD1 3.48Å; F131-I271 HydrophobicContact CZ-CG1 3.42Å; F131-I271 VanDerWaalsContact CZ-CG1 3.42Å; F131-L274 HydrophobicContact CD1-CD2 4.32Å |
| 132 | A | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | L88 L128 V130 T134 I135 I136 L274 I278 | L88-A132 HydrophobicContact CD1-CB 3.38Å; L88-A132 HydrophobicContact CD2-CB 3.42Å; L88-A132 VanDerWaalsContact CD2-CB 3.42Å; L88-A132 HydrophobicContact CG-CB 4.02Å; L128-A132 WeakPolarHBondContact O-CB 3.36Å; L128-A132 PolarHBondContact O-N 3.3Å; V130-A132 PolarHBondContact O-N 3.45Å; A132-T134 VanDerWaalsContact C-N 3.26Å; A132-T134 PolarHBondContact O-N 2.86Å; A132-I135 PolarHBondContact O-N 3.13Å; A132-I135 VanDerWaalsContact O-N 3.08Å; A132-I136 VanDerWaalsContact O-CG1 3.24Å; A132-I136 WeakPolarHBondContact O-CG1 3.29Å; A132-I136 PolarHBondContact O-N 3.25Å; A132-L274 HydrophobicContact CB-CD2 4.39Å; A132-I278 HydrophobicContact CB-CD1 3.45Å; A132-I278 VanDerWaalsContact CB-CD1 3.45Å; A132-I278 HydrophobicContact CB-CG1 4.28Å |
| 133 | S | 95.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.5 | -27.3 | 178.8 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | A129 V130 P137 S163 S164 | A129-S133 WeakPolarHBondContact O-CB 3.37Å; A129-S133 PolarHBondContact O-N 3.4Å; A129-S133 PolarHBondContact O-OG 3.42Å; V130-S133 WeakPolarHBondContact CA-OG 3.35Å; V130-S133 PolarHBondContact O-N 3.2Å; V130-S133 PolarHBondContact O-OG 3.46Å; S133-P137 WeakPolarHBondContact O-CD 3.5Å; S133-P137 WeakPolarHBondContact O-CG 3.16Å; S133-S163 PolarHBondContact O-OG 2.86Å; S133-S164 WeakPolarHBondContact OG-CA 3.45Å |
| 134 | T | 94 | Very high | 95 | Very high | 46 Ų | 46 | 22.6 Ų | 22.6 | 28% | 0.282 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -75.5 | -32.1 | 171.7 | 60.6 | 0 | 0 | 0 | 0 | 113.1 | V130 F131 A132 I160 | V130-T134 WeakPolarHBondContact O-CG2 3.16Å; V130-T134 PolarHBondContact O-N 3.08Å; V130-T134 VanDerWaalsContact O-N 3.11Å; V130-T134 PolarHBondContact O-OG1 2.98Å; F131-T134 PolarHBondContact O-N 2.95Å; F131-T134 PolarHBondContact O-OG1 3.28Å; A132-T134 VanDerWaalsContact C-N 3.26Å; A132-T134 PolarHBondContact O-N 2.86Å; T134-I160 HydrophobicContact CG2-CG2 4.35Å |
| 135 | I | 96 | Very high | 94.7 | Very high | 34 Ų | 34 | 30.1 Ų | 30.1 | 17% | 0.174 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -79.8 | -38 | -179.3 | -68.8 | 177 | 0 | 0 | 0 | 112 | F131 A132 L138 V139 I278 | F131-I135 HydrophobicContact CD1-CD1 4.1Å; F131-I135 HydrophobicContact CD2-CD1 4.03Å; F131-I135 HydrophobicContact CE1-CD1 3.51Å; F131-I135 HydrophobicContact CE2-CD1 3.43Å; F131-I135 VanDerWaalsContact CE2-CD1 3.43Å; F131-I135 HydrophobicContact CG-CD1 4.34Å; F131-I135 HydrophobicContact CZ-CD1 3.13Å; F131-I135 WeakPolarHBondContact O-CG1 3.2Å; F131-I135 PolarHBondContact O-N 3.37Å; A132-I135 PolarHBondContact O-N 3.13Å; A132-I135 VanDerWaalsContact O-N 3.08Å; I135-L138 WeakPolarHBondContact O-CB 3.4Å; I135-L138 PolarHBondContact O-N 3.27Å; I135-V139 HydrophobicContact CG2-CG2 3.78Å; I135-V139 WeakPolarHBondContact O-CG2 3.13Å; I135-V139 PolarHBondContact O-N 2.67Å; I135-I278 HydrophobicContact CG2-CG2 4.21Å |
| 136 | I | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -51.9 | -52.5 | -177.4 | -75.4 | 164.7 | 0 | 0 | 0 | 112.1 | I81 P84 I85 L88 A132 L138 V139 V140 I278 | I81-I136 HydrophobicContact CD1-CG2 3.88Å; I81-I136 HydrophobicContact CG1-CG2 3.45Å; I81-I136 VanDerWaalsContact CG1-CG2 3.45Å; P84-I136 HydrophobicContact CB-CD1 4.33Å; P84-I136 HydrophobicContact CB-CG1 4.17Å; P84-I136 HydrophobicContact CB-CG2 3.9Å; P84-I136 HydrophobicContact CG-CG2 3.74Å; I85-I136 HydrophobicContact CG1-CD1 4.31Å; I85-I136 HydrophobicContact CG1-CG2 4.47Å; L88-I136 HydrophobicContact CB-CD1 4.25Å; L88-I136 HydrophobicContact CD2-CD1 3.8Å; A132-I136 VanDerWaalsContact O-CG1 3.24Å; A132-I136 WeakPolarHBondContact O-CG1 3.29Å; A132-I136 PolarHBondContact O-N 3.25Å; I136-L138 VanDerWaalsContact C-N 3.3Å; I136-L138 PolarHBondContact O-N 3.25Å; I136-V139 PolarHBondContact O-N 2.66Å; I136-V140 HydrophobicContact CG2-CG2 4.29Å; I136-V140 WeakPolarHBondContact O-CG2 3.2Å; I136-V140 PolarHBondContact O-N 3Å; I136-I278 HydrophobicContact CG1-CG1 4.28Å; I136-I278 HydrophobicContact CG1-CG2 3.61Å |
| 137 | P | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.9 | -41 | 175.7 | -28.9 | 35.2 | 0 | 0 | 0 | 114.1 | I81 S133 V140 I141 L156 L159 I160 | I81-P137 HydrophobicContact CD1-CG 3.87Å; S133-P137 WeakPolarHBondContact O-CD 3.5Å; S133-P137 WeakPolarHBondContact O-CG 3.16Å; P137-V140 PolarHBondContact O-N 3.09Å; P137-I141 WeakPolarHBondContact O-CB 3.3Å; P137-I141 WeakPolarHBondContact O-CG1 3.41Å; P137-I141 PolarHBondContact O-N 2.71Å; P137-L156 HydrophobicContact CB-CD1 3.8Å; P137-L159 HydrophobicContact CB-CB 3.73Å; P137-L159 HydrophobicContact CB-CD1 4.34Å; P137-L159 HydrophobicContact CG-CB 3.96Å; P137-I160 HydrophobicContact CB-CG1 4.08Å; P137-I160 HydrophobicContact CG-CG1 3.92Å |
| 138 | L | 94.9 | Very high | 92.8 | Very high | 84 Ų | 84 | 38 Ų | 38 | 44% | 0.44 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.1 | -45.2 | 179 | -64.3 | 171.6 | 0 | 0 | 0 | 110.9 | I135 I136 T142 L156 | I135-L138 WeakPolarHBondContact O-CB 3.4Å; I135-L138 PolarHBondContact O-N 3.27Å; I136-L138 VanDerWaalsContact C-N 3.3Å; I136-L138 PolarHBondContact O-N 3.25Å; L138-T142 WeakPolarHBondContact O-CB 3.46Å; L138-T142 VanDerWaalsContact O-CG2 3.23Å; L138-T142 WeakPolarHBondContact O-CG2 3.42Å; L138-T142 PolarHBondContact O-N 3.11Å; L138-T142 PolarHBondContact O-OG1 3.47Å; L138-L156 HydrophobicContact CD2-CD1 3.73Å; L138-L156 HydrophobicContact CD2-CD2 3.72Å; L138-L156 HydrophobicContact CD2-CG 4.39Å; L138-L156 HydrophobicContact CG-CD1 4.31Å |
| 139 | V | 95.6 | Very high | 91.8 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 177.9 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | I135 I136 T142 L143 I278 I279 S282 | I135-V139 HydrophobicContact CG2-CG2 3.78Å; I135-V139 WeakPolarHBondContact O-CG2 3.13Å; I135-V139 PolarHBondContact O-N 2.67Å; I136-V139 PolarHBondContact O-N 2.66Å; V139-T142 WeakPolarHBondContact CA-OG1 3.35Å; V139-T142 PolarHBondContact O-N 3.49Å; V139-T142 PolarHBondContact O-OG1 3.4Å; V139-L143 HydrophobicContact CG1-CD1 3.83Å; V139-L143 HydrophobicContact CG1-CG 4.28Å; V139-L143 WeakPolarHBondContact O-CB 3.49Å; V139-L143 VanDerWaalsContact O-CG 3.25Å; V139-L143 WeakPolarHBondContact O-CG 3.37Å; V139-L143 PolarHBondContact O-N 2.86Å; V139-I278 HydrophobicContact CG2-CG2 4.42Å; V139-I279 HydrophobicContact CG1-CG1 4.48Å; V139-S282 VanDerWaalsContact CG1-CB 3.49Å |
| 140 | V | 94.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63 | -47.7 | 178.9 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | E80 P84 I136 P137 T142 L143 H144 F152 | E80-V140 HydrophobicContact CB-CG1 3.68Å; P84-V140 HydrophobicContact CG-CG2 4.11Å; I136-V140 HydrophobicContact CG2-CG2 4.29Å; I136-V140 WeakPolarHBondContact O-CG2 3.2Å; I136-V140 PolarHBondContact O-N 3Å; P137-V140 PolarHBondContact O-N 3.09Å; V140-T142 VanDerWaalsContact C-N 3.34Å; V140-T142 PolarHBondContact O-N 3.03Å; V140-L143 PolarHBondContact O-N 2.85Å; V140-H144 WeakPolarHBondContact O-CB 3.24Å; V140-H144 PolarHBondContact O-N 3.13Å; V140-F152 HydrophobicContact CG1-CE2 3.86Å; V140-F152 HydrophobicContact CG1-CZ 4.07Å |
| 141 | I | 93 | Very high | 90 | Very high | 43 Ų | 43 | 56.1 Ų | 56.1 | 22% | 0.221 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 178.7 | -72.9 | 163.9 | 0 | 0 | 0 | 111.4 | P137 H144 K145 F152 L156 L159 | P137-I141 WeakPolarHBondContact O-CB 3.3Å; P137-I141 WeakPolarHBondContact O-CG1 3.41Å; P137-I141 PolarHBondContact O-N 2.71Å; I141-H144 PolarHBondContact O-N 2.86Å; I141-K145 WeakPolarHBondContact O-CB 3.32Å; I141-K145 PolarHBondContact O-N 3.46Å; I141-F152 HydrophobicContact CG1-CB 4.11Å; I141-F152 HydrophobicContact CG1-CD1 4.2Å; I141-F152 HydrophobicContact CG1-CD2 4.38Å; I141-F152 HydrophobicContact CG1-CG 3.98Å; I141-L156 HydrophobicContact CD1-CB 4.03Å; I141-L156 HydrophobicContact CD1-CD1 3.68Å; I141-L156 HydrophobicContact CD1-CG 4.44Å; I141-L159 HydrophobicContact CD1-CD1 3.71Å; I141-L159 HydrophobicContact CG1-CD1 3.97Å |
| 142 | T | 93 | Very high | 89.1 | Confident | 91 Ų | 91 | 54.9 Ų | 54.9 | 56% | 0.558 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66.2 | -41.9 | 179 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | L138 V139 V140 S146 | L138-T142 WeakPolarHBondContact O-CB 3.46Å; L138-T142 VanDerWaalsContact O-CG2 3.23Å; L138-T142 WeakPolarHBondContact O-CG2 3.42Å; L138-T142 PolarHBondContact O-N 3.11Å; L138-T142 PolarHBondContact O-OG1 3.47Å; V139-T142 WeakPolarHBondContact CA-OG1 3.35Å; V139-T142 PolarHBondContact O-N 3.49Å; V139-T142 PolarHBondContact O-OG1 3.4Å; V140-T142 VanDerWaalsContact C-N 3.34Å; V140-T142 PolarHBondContact O-N 3.03Å; T142-S146 PolarHBondContact O-N 3.39Å |
| 143 | L | 93.1 | Very high | 88.2 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.3 | -44 | 174 | -70.8 | 173.4 | 0 | 0 | 0 | 111.8 | V139 V140 K145 S146 S147 I283 N286 | V139-L143 HydrophobicContact CG1-CD1 3.83Å; V139-L143 HydrophobicContact CG1-CG 4.28Å; V139-L143 WeakPolarHBondContact O-CB 3.49Å; V139-L143 VanDerWaalsContact O-CG 3.25Å; V139-L143 WeakPolarHBondContact O-CG 3.37Å; V139-L143 PolarHBondContact O-N 2.86Å; V140-L143 PolarHBondContact O-N 2.85Å; L143-K145 PolarHBondContact O-N 2.94Å; L143-S146 WeakPolarHBondContact O-CB 3.46Å; L143-S146 PolarHBondContact O-N 3.32Å; L143-S147 PolarHBondContact O-N 3.25Å; L143-S147 PolarHBondContact O-OG 2.71Å; L143-I283 HydrophobicContact CD1-CG1 3.9Å; L143-I283 HydrophobicContact CD2-CG1 4.16Å; L143-N286 HydrophobicContact CB-CB 4.35Å |
| 144 | H | 89.9 | Confident | 87.5 | Confident | 20 Ų | 20 | 58.2 Ų | 58.2 | 9% | 0.093 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 177.1 | -175.1 | 99.6 | 0 | 0 | 0 | 111.4 | E80 V140 I141 S146 S147 S148 S150 F152 | E80-H144 IonicContact OE1-CE1 2.92Å; E80-H144 IonicContact OE1-CG 3.48Å; E80-H144 IonicContact OE1-ND1 3.91Å; E80-H144 PolarHBondContact OE1-ND1 3.39Å; E80-H144 IonicContact OE2-ND1 3.01Å; V140-H144 WeakPolarHBondContact O-CB 3.24Å; V140-H144 PolarHBondContact O-N 3.13Å; I141-H144 PolarHBondContact O-N 2.86Å; H144-S146 VanDerWaalsContact C-N 3.26Å; H144-S146 PolarHBondContact O-N 3.35Å; H144-S147 WeakPolarHBondContact O-CA 3.41Å; H144-S147 WeakPolarHBondContact O-CB 3.25Å; H144-S147 PolarHBondContact O-N 3.17Å; H144-S148 PolarHBondContact O-N 2.87Å; H144-S150 PolarHBondContact NE2-OG 3.48Å; H144-F152 HydrophobicContact CB-CD2 3.7Å; H144-F152 HydrophobicContact CB-CE2 4.2Å; H144-F152 AromaticContact CD2-CD2 3.98Å; H144-F152 AromaticContact CG-CD2 3.54Å; H144-F152 AromaticContact ND1-CD2 3.74Å |
| 145 | K | 88.8 | Confident | 87.2 | Confident | 162 Ų | 162 | 61.1 Ų | 61.1 | 70% | 0.704 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.3 | -33 | 177.4 | -176.5 | 178.2 | 179.1 | -179.8 | 0 | 113 | I141 L143 S147 S148 | I141-K145 WeakPolarHBondContact O-CB 3.32Å; I141-K145 PolarHBondContact O-N 3.46Å; L143-K145 PolarHBondContact O-N 2.94Å; K145-S147 PolarHBondContact O-N 3.37Å; K145-S148 CarbonylContact C-O 3.57Å |
| 146 | S | 88 | Confident | 87 | Confident | 106 Ų | 106 | 62.1 Ų | 62.1 | 74% | 0.741 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.6 | -19.5 | 174.1 | -173.5 | 0 | 0 | 0 | 0 | 112.9 | T142 L143 H144 | T142-S146 PolarHBondContact O-N 3.39Å; L143-S146 WeakPolarHBondContact O-CB 3.46Å; L143-S146 PolarHBondContact O-N 3.32Å; H144-S146 VanDerWaalsContact C-N 3.26Å; H144-S146 PolarHBondContact O-N 3.35Å |
| 147 | S | 82.9 | Confident | 86.9 | Confident | 48 Ų | 48 | 65.5 Ų | 65.5 | 34% | 0.336 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -102.9 | -33 | -171.4 | -50.3 | 0 | 0 | 0 | 0 | 112.7 | L143 H144 K145 N286 R290 | L143-S147 PolarHBondContact O-N 3.25Å; L143-S147 PolarHBondContact O-OG 2.71Å; H144-S147 WeakPolarHBondContact O-CA 3.41Å; H144-S147 WeakPolarHBondContact O-CB 3.25Å; H144-S147 PolarHBondContact O-N 3.17Å; K145-S147 PolarHBondContact O-N 3.37Å; S147-N286 PolarHBondContact OG-OD1 3.05Å; S147-R290 PolarHBondContact OG-NH2 3.38Å |
| 148 | S | 77.5 | Confident | 86.7 | Confident | 45 Ų | 45 | 66.5 Ų | 66.5 | 32% | 0.315 | 37% | 0.374 | S | S | . | . | trans | -136.2 | 141.8 | -177.4 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | H144 K145 S150 | H144-S148 PolarHBondContact O-N 2.87Å; K145-S148 CarbonylContact C-O 3.57Å; S148-S150 WeakPolarHBondContact CB-OG 3.2Å; S148-S150 PolarHBondContact O-N 2.66Å; S148-S150 PolarHBondContact OG-N 2.9Å; S148-S150 PolarHBondContact OG-OG 3.13Å | ||
| 149 | T | 74.4 | Confident | 86.7 | Confident | 152 Ų | 152 | 62.6 Ų | 62.6 | 93% | 0.933 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -73.4 | -8.7 | 173.6 | 53.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 150 | S | 77.2 | Confident | 86.6 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -72.2 | 142.6 | 175.4 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | H144 S148 | H144-S150 PolarHBondContact NE2-OG 3.48Å; S148-S150 WeakPolarHBondContact CB-OG 3.2Å; S148-S150 PolarHBondContact O-N 2.66Å; S148-S150 PolarHBondContact OG-N 2.9Å; S148-S150 PolarHBondContact OG-OG 3.13Å |
| 151 | H | 77.8 | Confident | 86.7 | Confident | 176 Ų | 176 | 63.8 Ų | 63.8 | 82% | 0.815 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 143.5 | 164.9 | -72.7 | -79.7 | 0 | 0 | 0 | 110 | ||
| 152 | F | 78.3 | Confident | 86.7 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 10% | 0.101 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 124.5 | 168.7 | -160.2 | -92.2 | 0 | 0 | 0 | 107.7 | S77 V140 I141 H144 V154 L159 | S77-F152 VanDerWaalsContact CB-CZ 3.43Å; S77-F152 VanDerWaalsContact O-CZ 3.32Å; S77-F152 WeakPolarHBondContact O-CZ 3.07Å; V140-F152 HydrophobicContact CG1-CE2 3.86Å; V140-F152 HydrophobicContact CG1-CZ 4.07Å; I141-F152 HydrophobicContact CG1-CB 4.11Å; I141-F152 HydrophobicContact CG1-CD1 4.2Å; I141-F152 HydrophobicContact CG1-CD2 4.38Å; I141-F152 HydrophobicContact CG1-CG 3.98Å; H144-F152 HydrophobicContact CB-CD2 3.7Å; H144-F152 HydrophobicContact CB-CE2 4.2Å; H144-F152 AromaticContact CD2-CD2 3.98Å; H144-F152 AromaticContact CG-CD2 3.54Å; H144-F152 AromaticContact ND1-CD2 3.74Å; F152-V154 HydrophobicContact CD1-CB 3.9Å; F152-V154 WeakPolarHBondContact CD1-O 3.49Å; F152-V154 HydrophobicContact CE1-CB 3.83Å; F152-V154 HydrophobicContact CE1-CG2 4.19Å; F152-V154 PolarHBondContact O-N 3.13Å; F152-V154 VanDerWaalsContact O-N 3.1Å; F152-L159 HydrophobicContact CD1-CD1 3.91Å; F152-L159 HydrophobicContact CE1-CD1 3.5Å; F152-L159 HydrophobicContact CE1-CD2 4.1Å; F152-L159 HydrophobicContact CE1-CG 4.27Å; F152-L159 HydrophobicContact CZ-CD1 4.18Å |
| 153 | P | 77.2 | Confident | 86.8 | Confident | 57 Ų | 57 | 57.6 Ų | 57.6 | 37% | 0.37 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -71.2 | -7.9 | -168.2 | 26.6 | -35.6 | 0 | 0 | 0 | 114.4 | K74 S77 | K74-P153 HydrophobicContact CB-CB 4.03Å; K74-P153 HydrophobicContact CG-CB 4.19Å; K74-P153 VanDerWaalsContact O-CG 3.25Å; K74-P153 WeakPolarHBondContact O-CG 3.21Å; S77-P153 VanDerWaalsContact OG-CD 3.29Å; S77-P153 WeakPolarHBondContact OG-CD 3.39Å; S77-P153 WeakPolarHBondContact OG-CG 3.39Å |
| 154 | V | 80.5 | Confident | 86.9 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -114 | 135.3 | -178.7 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | K74 I78 F152 H158 L159 | K74-V154 WeakPolarHBondContact O-CG2 3.12Å; I78-V154 HydrophobicContact CG1-CG2 4.49Å; F152-V154 HydrophobicContact CD1-CB 3.9Å; F152-V154 WeakPolarHBondContact CD1-O 3.49Å; F152-V154 HydrophobicContact CE1-CB 3.83Å; F152-V154 HydrophobicContact CE1-CG2 4.19Å; F152-V154 PolarHBondContact O-N 3.13Å; F152-V154 VanDerWaalsContact O-N 3.1Å; V154-H158 HydrophobicContact CG1-CB 3.77Å; V154-H158 WeakPolarHBondContact CG1-CD2 3.43Å; V154-H158 VanDerWaalsContact CG1-CG 3.42Å; V154-L159 HydrophobicContact CB-CD2 4.31Å; V154-L159 HydrophobicContact CB-CG 4.37Å; V154-L159 HydrophobicContact CG1-CD2 3.86Å; V154-L159 HydrophobicContact CG1-CG 3.89Å |
| 155 | D | 87.9 | Confident | 87.2 | Confident | 107 Ų | 107 | 55.9 Ų | 55.9 | 57% | 0.572 | 31% | 0.314 | S | S | * | . | trans | -65.7 | 148.7 | 179.5 | -175.1 | 27.7 | 0 | 0 | 0 | 112.3 | V157 H158 L159 | D155-V157 VanDerWaalsContact C-N 3.26Å; D155-V157 PolarHBondContact O-N 2.96Å; D155-H158 HydrophobicContact CB-CB 4.46Å; D155-H158 WeakPolarHBondContact O-CB 3.24Å; D155-H158 PolarHBondContact O-N 2.99Å; D155-L159 PolarHBondContact O-N 2.85Å; D155-L159 VanDerWaalsContact O-N 3.13Å | ||
| 156 | L | 92 | Very high | 87.6 | Confident | 56 Ų | 56 | 48.2 Ų | 48.2 | 29% | 0.293 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.7 | -40 | 178.8 | 175.6 | 63.7 | 0 | 0 | 0 | 111.2 | P137 L138 I141 H158 L159 I160 | P137-L156 HydrophobicContact CB-CD1 3.8Å; L138-L156 HydrophobicContact CD2-CD1 3.73Å; L138-L156 HydrophobicContact CD2-CD2 3.72Å; L138-L156 HydrophobicContact CD2-CG 4.39Å; L138-L156 HydrophobicContact CG-CD1 4.31Å; I141-L156 HydrophobicContact CD1-CB 4.03Å; I141-L156 HydrophobicContact CD1-CD1 3.68Å; I141-L156 HydrophobicContact CD1-CG 4.44Å; L156-H158 VanDerWaalsContact C-N 3.33Å; L156-H158 PolarHBondContact O-N 3.07Å; L156-L159 PolarHBondContact O-N 3.3Å; L156-I160 HydrophobicContact CD1-CD1 3.86Å; L156-I160 HydrophobicContact CD1-CG1 4.08Å; L156-I160 HydrophobicContact CD2-CD1 4.38Å; L156-I160 HydrophobicContact CG-CD1 3.78Å; L156-I160 HydrophobicContact CG-CG1 4.37Å; L156-I160 WeakPolarHBondContact O-CG1 3.31Å; L156-I160 PolarHBondContact O-N 3.06Å |
| 157 | V | 93.2 | Very high | 87.9 | Confident | 70 Ų | 70 | 43.5 Ų | 43.5 | 42% | 0.424 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62 | -43.3 | 178.8 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | D155 L159 I160 C161 V227 | D155-V157 VanDerWaalsContact C-N 3.26Å; D155-V157 PolarHBondContact O-N 2.96Å; V157-L159 PolarHBondContact O-N 3.43Å; V157-I160 PolarHBondContact O-N 2.8Å; V157-C161 WeakPolarHBondContact O-CB 3.26Å; V157-C161 PolarHBondContact O-N 3.02Å; V157-C161 PolarHBondContact O-SG 3.38Å; V157-V227 HydrophobicContact CG1-CG1 4.43Å; V157-V227 HydrophobicContact CG1-CG2 4.08Å |
| 158 | H | 92.2 | Very high | 88.6 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 10% | 0.097 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.5 | -49.3 | 175.3 | 176.7 | 124.7 | 0 | 0 | 0 | 111.2 | V154 D155 L156 C161 I162 N216 F219 | V154-H158 HydrophobicContact CG1-CB 3.77Å; V154-H158 WeakPolarHBondContact CG1-CD2 3.43Å; V154-H158 VanDerWaalsContact CG1-CG 3.42Å; D155-H158 HydrophobicContact CB-CB 4.46Å; D155-H158 WeakPolarHBondContact O-CB 3.24Å; D155-H158 PolarHBondContact O-N 2.99Å; L156-H158 VanDerWaalsContact C-N 3.33Å; L156-H158 PolarHBondContact O-N 3.07Å; H158-C161 PolarHBondContact O-N 3.37Å; H158-I162 WeakPolarHBondContact CD2-CD1 3.29Å; H158-I162 WeakPolarHBondContact NE2-CD1 3.3Å; H158-I162 WeakPolarHBondContact O-CG1 3.43Å; H158-I162 PolarHBondContact O-N 2.91Å; H158-N216 PolarHBondContact NE2-OD1 2.94Å; H158-F219 HydrophobicContact CB-CD1 4.45Å; H158-F219 HydrophobicContact CB-CE1 3.78Å; H158-F219 HydrophobicContact CB-CE2 4.26Å; H158-F219 HydrophobicContact CB-CZ 3.67Å; H158-F219 AromaticContact CE1-CD1 3.49Å; H158-F219 VanDerWaalsContact CE1-CD1 3.49Å; H158-F219 WeakPolarHBondContact CE1-CD1 3.34Å; H158-F219 AromaticContact CE1-CE1 3.95Å; H158-F219 AromaticContact CG-CD1 3.83Å; H158-F219 AromaticContact CG-CE1 3.63Å; H158-F219 AromaticContact CG-CZ 3.95Å; H158-F219 AromaticContact ND1-CD1 3.02Å; H158-F219 WeakPolarHBondContact ND1-CD1 3.48Å; H158-F219 AromaticContact ND1-CE1 3.02Å; H158-F219 WeakPolarHBondContact ND1-CE1 3.39Å; H158-F219 AromaticContact ND1-CG 3.83Å; H158-F219 AromaticContact ND1-CZ 3.82Å |
| 159 | L | 93.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | -179.6 | -66.7 | 175.3 | 0 | 0 | 0 | 112.7 | I81 P137 I141 F152 V154 D155 L156 V157 C161 I162 S163 | I81-L159 HydrophobicContact CD1-CB 4.38Å; I81-L159 HydrophobicContact CD1-CD2 4.37Å; P137-L159 HydrophobicContact CB-CB 3.73Å; P137-L159 HydrophobicContact CB-CD1 4.34Å; P137-L159 HydrophobicContact CG-CB 3.96Å; I141-L159 HydrophobicContact CD1-CD1 3.71Å; I141-L159 HydrophobicContact CG1-CD1 3.97Å; F152-L159 HydrophobicContact CD1-CD1 3.91Å; F152-L159 HydrophobicContact CE1-CD1 3.5Å; F152-L159 HydrophobicContact CE1-CD2 4.1Å; F152-L159 HydrophobicContact CE1-CG 4.27Å; F152-L159 HydrophobicContact CZ-CD1 4.18Å; V154-L159 HydrophobicContact CB-CD2 4.31Å; V154-L159 HydrophobicContact CB-CG 4.37Å; V154-L159 HydrophobicContact CG1-CD2 3.86Å; V154-L159 HydrophobicContact CG1-CG 3.89Å; D155-L159 PolarHBondContact O-N 2.85Å; D155-L159 VanDerWaalsContact O-N 3.13Å; L156-L159 PolarHBondContact O-N 3.3Å; V157-L159 PolarHBondContact O-N 3.43Å; L159-C161 VanDerWaalsContact C-N 3.33Å; L159-I162 PolarHBondContact O-N 3.35Å; L159-S163 VanDerWaalsContact O-CB 3.3Å; L159-S163 WeakPolarHBondContact O-CB 3.29Å; L159-S163 PolarHBondContact O-N 2.91Å; L159-S163 PolarHBondContact O-OG 3.45Å |
| 160 | I | 95.1 | Very high | 90.5 | Very high | 42 Ų | 42 | 34.3 Ų | 34.3 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 175.5 | -69.2 | 171.5 | 0 | 0 | 0 | 110.2 | T134 P137 L156 V157 S163 S164 | T134-I160 HydrophobicContact CG2-CG2 4.35Å; P137-I160 HydrophobicContact CB-CG1 4.08Å; P137-I160 HydrophobicContact CG-CG1 3.92Å; L156-I160 HydrophobicContact CD1-CD1 3.86Å; L156-I160 HydrophobicContact CD1-CG1 4.08Å; L156-I160 HydrophobicContact CD2-CD1 4.38Å; L156-I160 HydrophobicContact CG-CD1 3.78Å; L156-I160 HydrophobicContact CG-CG1 4.37Å; L156-I160 WeakPolarHBondContact O-CG1 3.31Å; L156-I160 PolarHBondContact O-N 3.06Å; V157-I160 PolarHBondContact O-N 2.8Å; I160-S163 WeakPolarHBondContact CA-OG 3.27Å; I160-S163 PolarHBondContact O-OG 3.32Å; I160-S163 VanDerWaalsContact O-OG 3.14Å; I160-S164 WeakPolarHBondContact O-CB 3.35Å; I160-S164 PolarHBondContact O-N 3.14Å; I160-S164 PolarHBondContact O-OG 3.24Å |
| 161 | C | 95 | Very high | 91.3 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -49.2 | 178.4 | -67.3 | 0 | 0 | 0 | 0 | 111.7 | V157 H158 L159 S164 M165 F219 A230 | V157-C161 WeakPolarHBondContact O-CB 3.26Å; V157-C161 PolarHBondContact O-N 3.02Å; V157-C161 PolarHBondContact O-SG 3.38Å; H158-C161 PolarHBondContact O-N 3.37Å; L159-C161 VanDerWaalsContact C-N 3.33Å; C161-S164 PolarHBondContact O-OG 2.89Å; C161-M165 VanDerWaalsContact O-CB 3.3Å; C161-M165 WeakPolarHBondContact O-CB 3.5Å; C161-M165 VanDerWaalsContact O-CG 3.25Å; C161-M165 WeakPolarHBondContact O-CG 3.35Å; C161-M165 PolarHBondContact O-N 3.37Å; C161-F219 HydrophobicContact CB-CD2 4.05Å; C161-F219 HydrophobicContact CB-CE2 3.84Å; C161-A230 HydrophobicContact CB-CB 3.88Å |
| 162 | I | 93.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62 | -50.7 | 179.9 | -68.4 | -179.9 | 0 | 0 | 0 | 111.3 | H158 L159 T166 I212 V215 N216 | H158-I162 WeakPolarHBondContact CD2-CD1 3.29Å; H158-I162 WeakPolarHBondContact NE2-CD1 3.3Å; H158-I162 WeakPolarHBondContact O-CG1 3.43Å; H158-I162 PolarHBondContact O-N 2.91Å; L159-I162 PolarHBondContact O-N 3.35Å; I162-T166 WeakPolarHBondContact O-CB 3.34Å; I162-T166 PolarHBondContact O-N 2.98Å; I162-T166 PolarHBondContact O-OG1 3.47Å; I162-I212 HydrophobicContact CG2-CG2 4.19Å; I162-V215 HydrophobicContact CB-CG1 4.42Å; I162-V215 HydrophobicContact CG1-CG1 4.15Å; I162-N216 HydrophobicContact CD1-CB 3.75Å; I162-N216 WeakPolarHBondContact CD1-OD1 3.43Å |
| 163 | S | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -47.7 | -177.2 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | S133 L159 I160 T166 C167 | S133-S163 PolarHBondContact O-OG 2.86Å; L159-S163 VanDerWaalsContact O-CB 3.3Å; L159-S163 WeakPolarHBondContact O-CB 3.29Å; L159-S163 PolarHBondContact O-N 2.91Å; L159-S163 PolarHBondContact O-OG 3.45Å; I160-S163 WeakPolarHBondContact CA-OG 3.27Å; I160-S163 PolarHBondContact O-OG 3.32Å; I160-S163 VanDerWaalsContact O-OG 3.14Å; S163-T166 PolarHBondContact O-N 3.37Å; S163-C167 WeakPolarHBondContact O-CB 3.33Å; S163-C167 PolarHBondContact O-N 3.17Å; S163-C167 PolarHBondContact O-SG 2.79Å |
| 164 | S | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65 | -49.3 | -178.6 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | S133 I160 C161 T166 C167 I168 | S133-S164 WeakPolarHBondContact OG-CA 3.45Å; I160-S164 WeakPolarHBondContact O-CB 3.35Å; I160-S164 PolarHBondContact O-N 3.14Å; I160-S164 PolarHBondContact O-OG 3.24Å; C161-S164 PolarHBondContact O-OG 2.89Å; S164-T166 VanDerWaalsContact C-N 3.31Å; S164-T166 PolarHBondContact O-N 3.1Å; S164-C167 PolarHBondContact O-N 2.8Å; S164-I168 WeakPolarHBondContact O-CB 2.99Å; S164-I168 WeakPolarHBondContact O-CD1 3.49Å; S164-I168 WeakPolarHBondContact O-CG1 3.38Å; S164-I168 PolarHBondContact O-N 3.09Å |
| 165 | M | 96.4 | Very high | 94.5 | Very high | 26 Ų | 26 | 26.5 Ų | 26.5 | 13% | 0.128 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 177.4 | -70.1 | 179.5 | 66.7 | 0 | 0 | 111.2 | C161 C169 V215 T226 V229 A230 | C161-M165 VanDerWaalsContact O-CB 3.3Å; C161-M165 WeakPolarHBondContact O-CB 3.5Å; C161-M165 VanDerWaalsContact O-CG 3.25Å; C161-M165 WeakPolarHBondContact O-CG 3.35Å; C161-M165 PolarHBondContact O-N 3.37Å; M165-C169 WeakPolarHBondContact O-CB 3.32Å; M165-C169 PolarHBondContact O-N 3.12Å; M165-C169 PolarHBondContact O-SG 3.09Å; M165-V215 HydrophobicContact CB-CG1 4Å; M165-V215 HydrophobicContact CB-CG2 4.31Å; M165-V215 HydrophobicContact CE-CG1 4.24Å; M165-V215 HydrophobicContact SD-CG1 3.96Å; M165-T226 HydrophobicContact CE-CG2 4.37Å; M165-T226 HydrophobicContact SD-CG2 3.74Å; M165-V229 HydrophobicContact CE-CG1 3.8Å; M165-A230 HydrophobicContact CG-CB 3.76Å; M165-A230 HydrophobicContact SD-CB 3.75Å |
| 166 | T | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.1 | -54.5 | 176.7 | -59.6 | 0 | 0 | 0 | 0 | 111 | I85 I162 S163 S164 I168 C169 A170 T208 I211 I212 | I85-T166 HydrophobicContact CG2-CG2 4.49Å; I162-T166 WeakPolarHBondContact O-CB 3.34Å; I162-T166 PolarHBondContact O-N 2.98Å; I162-T166 PolarHBondContact O-OG1 3.47Å; S163-T166 PolarHBondContact O-N 3.37Å; S164-T166 VanDerWaalsContact C-N 3.31Å; S164-T166 PolarHBondContact O-N 3.1Å; T166-I168 VanDerWaalsContact C-N 3.31Å; T166-I168 PolarHBondContact O-N 2.99Å; T166-C169 PolarHBondContact O-N 3.49Å; T166-A170 WeakPolarHBondContact O-CB 3.49Å; T166-A170 PolarHBondContact O-N 3.16Å; T166-T208 HydrophobicContact CG2-CG2 3.79Å; T166-I211 HydrophobicContact CG2-CB 4.18Å; T166-I211 HydrophobicContact CG2-CG2 3.98Å; T166-I212 HydrophobicContact CG2-CB 4.46Å; T166-I212 HydrophobicContact CG2-CD1 4.19Å; T166-I212 HydrophobicContact CG2-CG1 3.34Å |
| 167 | C | 95.8 | Very high | 95 | Very high | 8 Ų | 8 | 23.8 Ų | 23.8 | 5% | 0.054 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | -176.6 | -70.4 | 0 | 0 | 0 | 0 | 111.6 | A129 S163 S164 T171 | A129-C167 HydrophobicContact CB-CB 4.23Å; S163-C167 WeakPolarHBondContact O-CB 3.33Å; S163-C167 PolarHBondContact O-N 3.17Å; S163-C167 PolarHBondContact O-SG 2.79Å; S164-C167 PolarHBondContact O-N 2.8Å; C167-T171 WeakPolarHBondContact O-CB 3.27Å; C167-T171 PolarHBondContact O-N 3.02Å; C167-T171 PolarHBondContact O-OG1 3.47Å |
| 168 | I | 96.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.5 | -54.7 | 175.9 | -70 | 166.3 | 0 | 0 | 0 | 110.7 | V130 S164 T166 A170 T171 C172 M233 I234 V237 | V130-I168 HydrophobicContact CG2-CD1 3.99Å; V130-I168 HydrophobicContact CG2-CG1 3.96Å; S164-I168 WeakPolarHBondContact O-CB 2.99Å; S164-I168 WeakPolarHBondContact O-CD1 3.49Å; S164-I168 WeakPolarHBondContact O-CG1 3.38Å; S164-I168 PolarHBondContact O-N 3.09Å; T166-I168 VanDerWaalsContact C-N 3.31Å; T166-I168 PolarHBondContact O-N 2.99Å; I168-A170 PolarHBondContact O-N 3.07Å; I168-T171 PolarHBondContact O-N 2.89Å; I168-C172 WeakPolarHBondContact O-CB 3.09Å; I168-C172 PolarHBondContact O-N 2.9Å; I168-C172 PolarHBondContact O-SG 3Å; I168-C172 VanDerWaalsContact O-SG 3.39Å; I168-M233 HydrophobicContact CD1-CB 4.28Å; I168-M233 HydrophobicContact CG2-CE 3.86Å; I168-I234 HydrophobicContact CD1-CG1 4.16Å; I168-V237 HydrophobicContact CD1-CB 4.49Å; I168-V237 HydrophobicContact CD1-CG2 4.28Å; I168-V237 HydrophobicContact CG1-CG2 4.44Å; I168-V237 HydrophobicContact CG2-CG2 3.7Å |
| 169 | C | 96.3 | Very high | 95.2 | Very high | 49 Ų | 49 | 21.6 Ų | 21.6 | 33% | 0.331 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -62.9 | -44.9 | -177.1 | -70.7 | 0 | 0 | 0 | 0 | 111.8 | M165 T166 F173 I211 | M165-C169 WeakPolarHBondContact O-CB 3.32Å; M165-C169 PolarHBondContact O-N 3.12Å; M165-C169 PolarHBondContact O-SG 3.09Å; T166-C169 PolarHBondContact O-N 3.49Å; C169-F173 WeakPolarHBondContact O-CB 3.32Å; C169-F173 PolarHBondContact O-N 3.43Å; C169-I211 HydrophobicContact CB-CD1 4.04Å; C169-I211 HydrophobicContact CB-CG2 4.24Å |
| 170 | A | 95.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T166 I168 C172 F173 I174 I211 | T166-A170 WeakPolarHBondContact O-CB 3.49Å; T166-A170 PolarHBondContact O-N 3.16Å; I168-A170 PolarHBondContact O-N 3.07Å; A170-C172 PolarHBondContact O-N 3.36Å; A170-F173 PolarHBondContact O-N 3.21Å; A170-I174 VanDerWaalsContact O-CB 3.28Å; A170-I174 WeakPolarHBondContact O-CB 3.42Å; A170-I174 VanDerWaalsContact O-CG1 3.29Å; A170-I174 WeakPolarHBondContact O-CG1 3.44Å; A170-I174 PolarHBondContact O-N 2.95Å; A170-I211 HydrophobicContact CB-CD1 4.04Å |
| 171 | T | 95.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.018 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | -180 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | L122 I125 L126 C167 I168 G175 | L122-T171 HydrophobicContact CD1-CG2 4.32Å; I125-T171 HydrophobicContact CB-CG2 4.48Å; I125-T171 HydrophobicContact CD1-CG2 3.61Å; I125-T171 HydrophobicContact CG1-CG2 3.65Å; L126-T171 HydrophobicContact CD2-CG2 3.78Å; L126-T171 HydrophobicContact CG-CG2 4.15Å; C167-T171 WeakPolarHBondContact O-CB 3.27Å; C167-T171 PolarHBondContact O-N 3.02Å; C167-T171 PolarHBondContact O-OG1 3.47Å; I168-T171 PolarHBondContact O-N 2.89Å; T171-G175 WeakPolarHBondContact O-CA 3.26Å; T171-G175 PolarHBondContact O-N 3.26Å |
| 172 | C | 95.6 | Very high | 95 | Very high | 48 Ų | 48 | 23 Ų | 23 | 32% | 0.324 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.4 | -51.1 | 175.9 | -74.2 | 0 | 0 | 0 | 0 | 111.5 | I168 A170 T176 | I168-C172 WeakPolarHBondContact O-CB 3.09Å; I168-C172 PolarHBondContact O-N 2.9Å; I168-C172 PolarHBondContact O-SG 3Å; I168-C172 VanDerWaalsContact O-SG 3.39Å; A170-C172 PolarHBondContact O-N 3.36Å; C172-T176 VanDerWaalsContact O-CG2 3.31Å; C172-T176 WeakPolarHBondContact O-CG2 3.43Å; C172-T176 PolarHBondContact O-N 2.97Å; C172-T176 PolarHBondContact O-OG1 3.01Å |
| 173 | F | 95.5 | Very high | 94.9 | Very high | 111 Ų | 111 | 24 Ų | 24 | 49% | 0.487 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -66.1 | -53.6 | -177 | -177.3 | -98.6 | 0 | 0 | 0 | 111.4 | C169 A170 G175 T176 V177 V207 | C169-F173 WeakPolarHBondContact O-CB 3.32Å; C169-F173 PolarHBondContact O-N 3.43Å; A170-F173 PolarHBondContact O-N 3.21Å; F173-G175 PolarHBondContact O-N 3.27Å; F173-T176 PolarHBondContact O-N 3.13Å; F173-T176 PolarHBondContact O-OG1 2.89Å; F173-V177 HydrophobicContact CD1-CG2 4.37Å; F173-V177 HydrophobicContact CE1-CG2 4.05Å; F173-V177 HydrophobicContact CZ-CG2 4.17Å; F173-V177 WeakPolarHBondContact O-CG2 3.28Å; F173-V177 PolarHBondContact O-N 3.43Å; F173-V177 VanDerWaalsContact O-N 3.08Å; F173-V207 HydrophobicContact CD1-CG1 3.91Å; F173-V207 HydrophobicContact CD1-CG2 4.21Å; F173-V207 HydrophobicContact CE1-CG1 4.41Å; F173-V207 HydrophobicContact CE1-CG2 3.96Å |
| 174 | I | 94.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.6 | -38 | -178.7 | -59.1 | -62 | 0 | 0 | 0 | 111.3 | E93 A170 T176 V177 V178 L203 V207 | E93-I174 HydrophobicContact CB-CG2 4.18Å; E93-I174 HydrophobicContact CG-CB 4.25Å; E93-I174 HydrophobicContact CG-CG2 3.74Å; E93-I174 WeakPolarHBondContact OE2-CG2 3.13Å; A170-I174 VanDerWaalsContact O-CB 3.28Å; A170-I174 WeakPolarHBondContact O-CB 3.42Å; A170-I174 VanDerWaalsContact O-CG1 3.29Å; A170-I174 WeakPolarHBondContact O-CG1 3.44Å; A170-I174 PolarHBondContact O-N 2.95Å; I174-T176 VanDerWaalsContact C-N 3.34Å; I174-T176 PolarHBondContact O-N 3.39Å; I174-V177 PolarHBondContact O-N 3.3Å; I174-V178 HydrophobicContact CG2-CG2 4.04Å; I174-V178 WeakPolarHBondContact O-CB 3.45Å; I174-V178 VanDerWaalsContact O-CG2 3.28Å; I174-V178 WeakPolarHBondContact O-CG2 3.37Å; I174-V178 PolarHBondContact O-N 3.48Å; I174-L203 HydrophobicContact CD1-CB 3.99Å; I174-V207 HydrophobicContact CD1-CB 3.97Å; I174-V207 HydrophobicContact CD1-CG1 4.23Å; I174-V207 HydrophobicContact CD1-CG2 3.96Å; I174-V207 HydrophobicContact CG1-CG1 4.46Å |
| 175 | G | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.4 | -46.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F118 T171 F173 V178 Y179 | F118-G175 VanDerWaalsContact CE2-O 3.27Å; F118-G175 WeakPolarHBondContact CE2-O 3.28Å; T171-G175 WeakPolarHBondContact O-CA 3.26Å; T171-G175 PolarHBondContact O-N 3.26Å; F173-G175 PolarHBondContact O-N 3.27Å; G175-V178 PolarHBondContact O-N 2.93Å; G175-Y179 PolarHBondContact O-N 2.97Å |
| 176 | T | 95.3 | Very high | 93.8 | Very high | 71 Ų | 71 | 27.1 Ų | 27.1 | 44% | 0.436 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.5 | -40.1 | 177.1 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | F118 C172 F173 I174 Y179 A180 | F118-T176 HydrophobicContact CZ-CG2 4.12Å; C172-T176 VanDerWaalsContact O-CG2 3.31Å; C172-T176 WeakPolarHBondContact O-CG2 3.43Å; C172-T176 PolarHBondContact O-N 2.97Å; C172-T176 PolarHBondContact O-OG1 3.01Å; F173-T176 PolarHBondContact O-N 3.13Å; F173-T176 PolarHBondContact O-OG1 2.89Å; I174-T176 VanDerWaalsContact C-N 3.34Å; I174-T176 PolarHBondContact O-N 3.39Å; T176-Y179 PolarHBondContact O-N 3.07Å; T176-A180 PolarHBondContact O-N 3.47Å |
| 177 | V | 94.9 | Very high | 93.3 | Very high | 35 Ų | 35 | 33.2 Ų | 33.2 | 21% | 0.212 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | F173 I174 Y179 A180 I181 L203 | F173-V177 HydrophobicContact CD1-CG2 4.37Å; F173-V177 HydrophobicContact CE1-CG2 4.05Å; F173-V177 HydrophobicContact CZ-CG2 4.17Å; F173-V177 WeakPolarHBondContact O-CG2 3.28Å; F173-V177 PolarHBondContact O-N 3.43Å; F173-V177 VanDerWaalsContact O-N 3.08Å; I174-V177 PolarHBondContact O-N 3.3Å; V177-Y179 VanDerWaalsContact C-N 3.32Å; V177-Y179 PolarHBondContact O-N 3.39Å; V177-A180 WeakPolarHBondContact O-CB 3.33Å; V177-A180 PolarHBondContact O-N 3.47Å; V177-I181 HydrophobicContact CG1-CD1 3.75Å; V177-I181 HydrophobicContact CG1-CG1 4.34Å; V177-I181 VanDerWaalsContact O-CG1 3.29Å; V177-I181 WeakPolarHBondContact O-CG1 3.27Å; V177-I181 PolarHBondContact O-N 2.95Å; V177-L203 HydrophobicContact CG1-CD1 3.62Å |
| 178 | V | 94.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -43.6 | 176 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | L96 L100 I174 G175 A180 I181 V182 A200 | L96-V178 HydrophobicContact CD2-CB 4.49Å; L96-V178 HydrophobicContact CD2-CG1 4.37Å; L96-V178 HydrophobicContact CG-CG1 4.44Å; L100-V178 HydrophobicContact CD1-CG1 4.41Å; I174-V178 HydrophobicContact CG2-CG2 4.04Å; I174-V178 WeakPolarHBondContact O-CB 3.45Å; I174-V178 VanDerWaalsContact O-CG2 3.28Å; I174-V178 WeakPolarHBondContact O-CG2 3.37Å; I174-V178 PolarHBondContact O-N 3.48Å; G175-V178 PolarHBondContact O-N 2.93Å; V178-A180 VanDerWaalsContact C-N 3.34Å; V178-A180 PolarHBondContact O-N 2.89Å; V178-I181 PolarHBondContact O-N 3.44Å; V178-V182 WeakPolarHBondContact O-CG2 3.38Å; V178-V182 PolarHBondContact O-N 2.98Å; V178-A200 HydrophobicContact CG2-CB 3.46Å; V178-A200 VanDerWaalsContact CG2-CB 3.46Å |
| 179 | Y | 94.9 | Very high | 91.7 | Very high | 44 Ų | 44 | 38.4 Ų | 38.4 | 17% | 0.173 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 174.8 | -177.6 | -109.1 | 0 | 0 | 0 | 112.1 | L100 S114 F115 F118 G175 T176 V177 V182 C183 | L100-Y179 HydrophobicContact CD1-CD2 4.01Å; L100-Y179 HydrophobicContact CD2-CD2 4.07Å; L100-Y179 HydrophobicContact CD2-CE2 4.36Å; S114-Y179 PolarHBondContact OG-OH 3Å; F115-Y179 HydrophobicContact CD2-CE1 4.42Å; F115-Y179 PolarHBondContact N-OH 3.34Å; F118-Y179 HydrophobicContact CB-CD2 3.59Å; F118-Y179 HydrophobicContact CB-CE2 3.72Å; F118-Y179 HydrophobicContact CB-CG 4.31Å; F118-Y179 HydrophobicContact CD1-CD1 4.35Å; F118-Y179 HydrophobicContact CD1-CD2 4.23Å; F118-Y179 HydrophobicContact CD1-CG 4.12Å; F118-Y179 AromaticContact CD2-CD2 3.82Å; F118-Y179 HydrophobicContact CD2-CD2 3.82Å; F118-Y179 AromaticContact CD2-CG 3.86Å; F118-Y179 HydrophobicContact CD2-CG 3.86Å; F118-Y179 HydrophobicContact CE1-CG 4.43Å; F118-Y179 HydrophobicContact CE2-CG 4.21Å; F118-Y179 HydrophobicContact CG-CD1 4.47Å; F118-Y179 AromaticContact CG-CD2 3.6Å; F118-Y179 HydrophobicContact CG-CD2 3.6Å; F118-Y179 HydrophobicContact CG-CE2 4.1Å; F118-Y179 AromaticContact CG-CG 3.81Å; F118-Y179 HydrophobicContact CG-CG 3.81Å; F118-Y179 HydrophobicContact CZ-CG 4.46Å; G175-Y179 PolarHBondContact O-N 2.97Å; T176-Y179 PolarHBondContact O-N 3.07Å; V177-Y179 VanDerWaalsContact C-N 3.32Å; V177-Y179 PolarHBondContact O-N 3.39Å; Y179-V182 PolarHBondContact O-N 3.26Å; Y179-C183 PolarHBondContact O-N 3.3Å; Y179-C183 PolarHBondContact O-SG 3.34Å; Y179-C183 VanDerWaalsContact O-SG 3.35Å |
| 180 | A | 94.8 | Very high | 90.9 | Very high | 49 Ų | 49 | 37.1 Ų | 37.1 | 41% | 0.405 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T176 V177 V178 V182 C183 S184 | T176-A180 PolarHBondContact O-N 3.47Å; V177-A180 WeakPolarHBondContact O-CB 3.33Å; V177-A180 PolarHBondContact O-N 3.47Å; V178-A180 VanDerWaalsContact C-N 3.34Å; V178-A180 PolarHBondContact O-N 2.89Å; A180-V182 PolarHBondContact O-N 3.48Å; A180-C183 WeakPolarHBondContact O-CB 3.42Å; A180-C183 PolarHBondContact O-N 2.74Å; A180-S184 WeakPolarHBondContact O-CB 3.23Å; A180-S184 PolarHBondContact O-N 3.42Å; A180-S184 PolarHBondContact O-OG 3.16Å; A180-S184 VanDerWaalsContact O-OG 3.07Å |
| 181 | I | 92.7 | Very high | 90.2 | Very high | 32 Ų | 32 | 37.6 Ų | 37.6 | 16% | 0.164 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 177.1 | -68.8 | 163.6 | 0 | 0 | 0 | 111 | V177 V178 S184 C185 I195 A196 A199 L203 | V177-I181 HydrophobicContact CG1-CD1 3.75Å; V177-I181 HydrophobicContact CG1-CG1 4.34Å; V177-I181 VanDerWaalsContact O-CG1 3.29Å; V177-I181 WeakPolarHBondContact O-CG1 3.27Å; V177-I181 PolarHBondContact O-N 2.95Å; V178-I181 PolarHBondContact O-N 3.44Å; I181-S184 PolarHBondContact O-N 3.4Å; I181-C185 PolarHBondContact O-N 3.45Å; I181-C185 PolarHBondContact O-SG 3.12Å; I181-I195 HydrophobicContact CG2-CG2 4.33Å; I181-A196 HydrophobicContact CG2-CB 4.24Å; I181-A199 HydrophobicContact CD1-CB 3.77Å; I181-L203 HydrophobicContact CD1-CD1 4.22Å |
| 182 | V | 91.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 177.9 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | L100 V104 F110 V178 Y179 A180 S184 C185 V186 P192 A196 | L100-V182 HydrophobicContact CB-CB 4.44Å; L100-V182 HydrophobicContact CB-CG1 4.12Å; L100-V182 HydrophobicContact CB-CG2 3.98Å; L100-V182 HydrophobicContact CD1-CG2 4.28Å; V104-V182 HydrophobicContact CG2-CG1 3.76Å; F110-V182 HydrophobicContact CE2-CG1 4.33Å; F110-V182 HydrophobicContact CZ-CG1 4.24Å; V178-V182 WeakPolarHBondContact O-CG2 3.38Å; V178-V182 PolarHBondContact O-N 2.98Å; Y179-V182 PolarHBondContact O-N 3.26Å; A180-V182 PolarHBondContact O-N 3.48Å; V182-S184 VanDerWaalsContact C-N 3.34Å; V182-S184 PolarHBondContact O-N 2.86Å; V182-C185 WeakPolarHBondContact O-CB 3.44Å; V182-C185 PolarHBondContact O-N 3.14Å; V182-V186 WeakPolarHBondContact O-CG2 3.4Å; V182-V186 PolarHBondContact O-N 3.3Å; V182-V186 VanDerWaalsContact O-N 3.1Å; V182-P192 HydrophobicContact CG1-CB 4.29Å; V182-P192 HydrophobicContact CG2-CB 4.46Å; V182-A196 HydrophobicContact CG2-CB 3.85Å |
| 183 | C | 91.7 | Very high | 89.1 | Confident | 23 Ų | 23 | 35.5 Ų | 35.5 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.3 | -47.5 | 174.4 | -71.5 | 0 | 0 | 0 | 0 | 111.2 | Y179 A180 C185 V186 F187 | Y179-C183 PolarHBondContact O-N 3.3Å; Y179-C183 PolarHBondContact O-SG 3.34Å; Y179-C183 VanDerWaalsContact O-SG 3.35Å; A180-C183 WeakPolarHBondContact O-CB 3.42Å; A180-C183 PolarHBondContact O-N 2.74Å; C183-C185 VanDerWaalsContact C-N 3.32Å; C183-C185 PolarHBondContact O-N 3.46Å; C183-V186 WeakPolarHBondContact O-CB 3.08Å; C183-V186 PolarHBondContact O-N 2.97Å; C183-V186 VanDerWaalsContact O-N 3.11Å; C183-F187 HydrophobicContact CB-CE2 4.28Å; C183-F187 WeakPolarHBondContact O-CD2 3.48Å; C183-F187 PolarHBondContact O-N 3.44Å |
| 184 | S | 90.4 | Very high | 88.5 | Confident | 65 Ų | 65 | 30.2 Ų | 30.2 | 46% | 0.455 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.3 | -39 | 175.6 | -62.7 | 0 | 0 | 0 | 0 | 112.8 | A180 I181 V182 V186 F187 C188 | A180-S184 WeakPolarHBondContact O-CB 3.23Å; A180-S184 PolarHBondContact O-N 3.42Å; A180-S184 PolarHBondContact O-OG 3.16Å; A180-S184 VanDerWaalsContact O-OG 3.07Å; I181-S184 PolarHBondContact O-N 3.4Å; V182-S184 VanDerWaalsContact C-N 3.34Å; V182-S184 PolarHBondContact O-N 2.86Å; S184-V186 VanDerWaalsContact C-N 3.3Å; S184-V186 PolarHBondContact O-N 3.38Å; S184-F187 PolarHBondContact O-N 3.37Å; S184-C188 WeakPolarHBondContact O-CB 3.38Å; S184-C188 PolarHBondContact O-N 2.95Å; S184-C188 PolarHBondContact O-SG 3.47Å |
| 185 | C | 87.2 | Confident | 88.2 | Confident | 7 Ų | 7 | 32.6 Ų | 32.6 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 175.2 | -68 | 0 | 0 | 0 | 0 | 111.4 | I181 V182 C183 C188 G189 A190 P192 | I181-C185 PolarHBondContact O-N 3.45Å; I181-C185 PolarHBondContact O-SG 3.12Å; V182-C185 WeakPolarHBondContact O-CB 3.44Å; V182-C185 PolarHBondContact O-N 3.14Å; C183-C185 VanDerWaalsContact C-N 3.32Å; C183-C185 PolarHBondContact O-N 3.46Å; C185-C188 PolarHBondContact O-N 3.39Å; C185-G189 PolarHBondContact O-N 3Å; C185-A190 PolarHBondContact O-N 3.07Å; C185-P192 HydrophobicContact CB-CB 4.07Å |
| 186 | V | 85.9 | Confident | 87.9 | Confident | 20 Ų | 20 | 32.6 Ų | 32.6 | 12% | 0.121 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 175.9 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | V104 F110 V182 C183 S184 C188 G189 | V104-V186 HydrophobicContact CB-CG2 4.32Å; V104-V186 HydrophobicContact CG1-CG2 3.76Å; V104-V186 HydrophobicContact CG2-CG2 3.53Å; F110-V186 HydrophobicContact CD1-CG1 4.46Å; F110-V186 HydrophobicContact CD1-CG2 4.38Å; F110-V186 HydrophobicContact CE1-CB 4.38Å; F110-V186 HydrophobicContact CE1-CG1 4.38Å; F110-V186 HydrophobicContact CE1-CG2 3.86Å; F110-V186 HydrophobicContact CZ-CG2 3.94Å; V182-V186 WeakPolarHBondContact O-CG2 3.4Å; V182-V186 PolarHBondContact O-N 3.3Å; V182-V186 VanDerWaalsContact O-N 3.1Å; C183-V186 WeakPolarHBondContact O-CB 3.08Å; C183-V186 PolarHBondContact O-N 2.97Å; C183-V186 VanDerWaalsContact O-N 3.11Å; S184-V186 VanDerWaalsContact C-N 3.3Å; S184-V186 PolarHBondContact O-N 3.38Å; V186-C188 VanDerWaalsContact C-N 3.34Å; V186-C188 PolarHBondContact O-N 3.37Å; V186-G189 PolarHBondContact O-N 2.86Å |
| 187 | F | 84.5 | Confident | 87.6 | Confident | 128 Ų | 128 | 29.2 Ų | 29.2 | 56% | 0.561 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -63.2 | -38.3 | 176.8 | -71.1 | -66.4 | 0 | 0 | 0 | 112.6 | C183 S184 G189 | C183-F187 HydrophobicContact CB-CE2 4.28Å; C183-F187 WeakPolarHBondContact O-CD2 3.48Å; C183-F187 PolarHBondContact O-N 3.44Å; S184-F187 PolarHBondContact O-N 3.37Å; F187-G189 VanDerWaalsContact C-N 3.34Å |
| 188 | C | 84.2 | Confident | 87.5 | Confident | 106 Ų | 106 | 27.5 Ų | 27.5 | 72% | 0.716 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -82.7 | -7.2 | 178.8 | -63.4 | 0 | 0 | 0 | 0 | 114 | S184 C185 V186 A190 | S184-C188 WeakPolarHBondContact O-CB 3.38Å; S184-C188 PolarHBondContact O-N 2.95Å; S184-C188 PolarHBondContact O-SG 3.47Å; C185-C188 PolarHBondContact O-N 3.39Å; V186-C188 VanDerWaalsContact C-N 3.34Å; V186-C188 PolarHBondContact O-N 3.37Å; C188-A190 PolarHBondContact O-N 3.06Å |
| 189 | G | 76.1 | Confident | 87.3 | Confident | 13 Ų | 13 | 28.5 Ų | 28.5 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 23 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | C24 C185 V186 F187 | C24-G189 WeakPolarHBondContact CB-O 3.36Å; C24-G189 PolarHBondContact SG-O 2.68Å; C185-G189 PolarHBondContact O-N 3Å; V186-G189 PolarHBondContact O-N 2.86Å; F187-G189 VanDerWaalsContact C-N 3.34Å |
| 190 | A | 78.3 | Confident | 87.1 | Confident | 22 Ų | 22 | 26.5 Ų | 26.5 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | trans | -90.8 | 152.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | C185 C188 P192 I195 | C185-A190 PolarHBondContact O-N 3.07Å; C188-A190 PolarHBondContact O-N 3.06Å; A190-P192 VanDerWaalsContact O-CD 3.27Å; A190-P192 WeakPolarHBondContact O-CD 3.48Å; A190-I195 HydrophobicContact CB-CD1 3.6Å | ||
| 191 | N | 81.1 | Confident | 86.9 | Confident | 10 Ų | 10 | 24.4 Ų | 24.4 | 5% | 0.053 | 15% | 0.149 | C | C | . | . | trans | -77.9 | 115.2 | 178.7 | -172.1 | -15.1 | 0 | 0 | 0 | 110.7 | Y28 D193 N194 | Y28-N191 HydrophobicContact CE2-CB 4.25Å; N191-D193 PolarHBondContact O-N 2.97Å; N191-D193 WeakPolarHBondContact OD1-CB 3.18Å; N191-D193 PolarHBondContact OD1-N 3.17Å; N191-D193 PolarHBondContact OD1-OD2 3.04Å; N191-N194 PolarHBondContact O-N 3.06Å; N191-N194 VanDerWaalsContact O-N 3.07Å | ||
| 192 | P | 85.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.3 | -27 | -179.9 | 26.2 | -35.9 | 0 | 0 | 0 | 113.3 | A101 V104 V182 C185 A190 N194 I195 A196 P197 | A101-P192 HydrophobicContact CB-CB 3.97Å; A101-P192 HydrophobicContact CB-CG 3.84Å; V104-P192 HydrophobicContact CB-CG 4.08Å; V104-P192 HydrophobicContact CG1-CG 4.14Å; V104-P192 HydrophobicContact CG2-CG 4.08Å; V182-P192 HydrophobicContact CG1-CB 4.29Å; V182-P192 HydrophobicContact CG2-CB 4.46Å; C185-P192 HydrophobicContact CB-CB 4.07Å; A190-P192 VanDerWaalsContact O-CD 3.27Å; A190-P192 WeakPolarHBondContact O-CD 3.48Å; P192-N194 PolarHBondContact O-N 2.69Å; P192-N194 VanDerWaalsContact O-N 3.16Å; P192-I195 PolarHBondContact O-N 3.35Å; P192-A196 VanDerWaalsContact O-CB 3.3Å; P192-A196 WeakPolarHBondContact O-CB 3.13Å; P192-A196 PolarHBondContact O-N 3.34Å; P192-P197 WeakPolarHBondContact O-CD 3.42Å |
| 193 | D | 82.1 | Confident | 86.5 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 3% | 0.032 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.2 | -23.8 | 176.6 | -70.1 | -44.2 | 0 | 0 | 0 | 112.6 | A101 H105 N191 | A101-D193 WeakPolarHBondContact CB-OD1 3.26Å; H105-D193 IonicContact CD2-OD2 2.96Å; H105-D193 IonicContact CE1-OD2 3.16Å; H105-D193 IonicContact NE2-OD2 3.05Å; H105-D193 PolarHBondContact NE2-OD2 2.97Å; N191-D193 PolarHBondContact O-N 2.97Å; N191-D193 WeakPolarHBondContact OD1-CB 3.18Å; N191-D193 PolarHBondContact OD1-N 3.17Å; N191-D193 PolarHBondContact OD1-OD2 3.04Å |
| 194 | N | 84.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -93.9 | -22.6 | -178.6 | -68.1 | -26.5 | 0 | 0 | 0 | 114 | E43 A47 N191 P192 M315 R319 | E43-N194 HydrophobicContact CB-CB 3.91Å; E43-N194 PolarHBondContact OE2-ND2 3.1Å; A47-N194 WeakPolarHBondContact CB-O 3.27Å; N191-N194 PolarHBondContact O-N 3.06Å; N191-N194 VanDerWaalsContact O-N 3.07Å; P192-N194 PolarHBondContact O-N 2.69Å; P192-N194 VanDerWaalsContact O-N 3.16Å; N194-M315 HydrophobicContact CB-CE 4.48Å; N194-R319 PolarHBondContact ND2-NH2 3.22Å; N194-R319 PolarHBondContact OD1-NH2 3.17Å |
| 195 | I | 87.1 | Confident | 86.6 | Confident | 51 Ų | 51 | 23 Ų | 23 | 26% | 0.262 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -114.6 | -43.5 | -169.2 | -60.1 | 175.8 | 0 | 0 | 0 | 111.6 | I181 A190 P192 P198 A199 | I181-I195 HydrophobicContact CG2-CG2 4.33Å; A190-I195 HydrophobicContact CB-CD1 3.6Å; P192-I195 PolarHBondContact O-N 3.35Å; I195-P198 WeakPolarHBondContact O-CD 3.26Å; I195-A199 VanDerWaalsContact O-CB 3.25Å; I195-A199 WeakPolarHBondContact O-CB 3.27Å; I195-A199 PolarHBondContact O-N 3.48Å |
| 196 | A | 89.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.8 | -45.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I181 V182 P192 A199 A200 | I181-A196 HydrophobicContact CG2-CB 4.24Å; V182-A196 HydrophobicContact CG2-CB 3.85Å; P192-A196 VanDerWaalsContact O-CB 3.3Å; P192-A196 WeakPolarHBondContact O-CB 3.13Å; P192-A196 PolarHBondContact O-N 3.34Å; A196-A199 PolarHBondContact O-N 3.12Å; A196-A200 VanDerWaalsContact O-CB 3.29Å; A196-A200 WeakPolarHBondContact O-CB 3.28Å; A196-A200 PolarHBondContact O-N 2.79Å |
| 197 | P | 89.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62 | -47.8 | 177.7 | -19.9 | 30.3 | 0 | 0 | 0 | 113.8 | V94 P192 A199 A200 A201 M315 | V94-P197 HydrophobicContact CG1-CB 3.95Å; P192-P197 WeakPolarHBondContact O-CD 3.42Å; P197-A199 PolarHBondContact O-N 2.97Å; P197-A200 PolarHBondContact O-N 3.48Å; P197-A201 PolarHBondContact O-N 3.25Å; P197-A201 VanDerWaalsContact O-N 3.11Å; P197-M315 HydrophobicContact CB-CG 4.18Å; P197-M315 HydrophobicContact CG-CG 4.46Å |
| 198 | P | 90.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60 | -43.2 | 174.3 | -25.5 | 35.4 | 0 | 0 | 0 | 113 | A47 A51 I195 A200 A201 A202 I311 M315 | A47-P198 HydrophobicContact CB-CB 4.03Å; A47-P198 HydrophobicContact CB-CG 4.07Å; A51-P198 HydrophobicContact CB-CB 3.88Å; A51-P198 WeakPolarHBondContact CB-O 3.45Å; I195-P198 WeakPolarHBondContact O-CD 3.26Å; P198-A200 PolarHBondContact O-N 2.9Å; P198-A201 PolarHBondContact O-N 3.43Å; P198-A202 WeakPolarHBondContact O-CB 3.25Å; P198-A202 PolarHBondContact O-N 2.47Å; P198-I311 HydrophobicContact CB-CG2 4.14Å; P198-I311 HydrophobicContact CG-CG2 3.88Å; P198-M315 HydrophobicContact CG-CE 4.48Å; P198-M315 HydrophobicContact CG-SD 3.63Å |
| 199 | A | 90.4 | Very high | 88.1 | Confident | 22 Ų | 22 | 14.2 Ų | 14.2 | 18% | 0.182 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.3 | -39.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I181 I195 A196 P197 A202 L203 | I181-A199 HydrophobicContact CD1-CB 3.77Å; I195-A199 VanDerWaalsContact O-CB 3.25Å; I195-A199 WeakPolarHBondContact O-CB 3.27Å; I195-A199 PolarHBondContact O-N 3.48Å; A196-A199 PolarHBondContact O-N 3.12Å; P197-A199 PolarHBondContact O-N 2.97Å; A199-A202 PolarHBondContact O-N 2.86Å; A199-L203 WeakPolarHBondContact O-CB 3.41Å; A199-L203 WeakPolarHBondContact O-CG 3.48Å; A199-L203 PolarHBondContact O-N 2.93Å |
| 200 | A | 91.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K89 E93 V178 A196 P197 P198 G204 | K89-A200 PolarHBondContact NZ-O 2.96Å; E93-A200 HydrophobicContact CB-CB 4.32Å; V178-A200 HydrophobicContact CG2-CB 3.46Å; V178-A200 VanDerWaalsContact CG2-CB 3.46Å; A196-A200 VanDerWaalsContact O-CB 3.29Å; A196-A200 WeakPolarHBondContact O-CB 3.28Å; A196-A200 PolarHBondContact O-N 2.79Å; P197-A200 PolarHBondContact O-N 3.48Å; P198-A200 PolarHBondContact O-N 2.9Å; A200-G204 PolarHBondContact O-N 3.39Å |
| 201 | A | 89.4 | Confident | 89.7 | Confident | 6 Ų | 6 | 17 Ų | 17 | 5% | 0.05 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.2 | -51.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P197 P198 L203 G204 D205 I311 | P197-A201 PolarHBondContact O-N 3.25Å; P197-A201 VanDerWaalsContact O-N 3.11Å; P198-A201 PolarHBondContact O-N 3.43Å; A201-L203 PolarHBondContact O-N 3.04Å; A201-G204 PolarHBondContact O-N 2.99Å; A201-D205 PolarHBondContact O-N 2.79Å; A201-I311 HydrophobicContact CB-CD1 3.45Å; A201-I311 VanDerWaalsContact CB-CD1 3.45Å; A201-I311 HydrophobicContact CB-CG1 3.4Å |
| 202 | A | 86.8 | Confident | 90.2 | Very high | 8 Ų | 8 | 16.8 Ų | 16.8 | 7% | 0.066 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -52 | -57 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | A51 P198 A199 | A51-A202 VanDerWaalsContact CA-CB 3.42Å; A51-A202 HydrophobicContact CB-CB 3.77Å; P198-A202 WeakPolarHBondContact O-CB 3.25Å; P198-A202 PolarHBondContact O-N 2.47Å; A199-A202 PolarHBondContact O-N 2.86Å |
| 203 | L | 89.9 | Confident | 90.4 | Very high | 73 Ų | 73 | 17.7 Ų | 17.7 | 38% | 0.382 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -72.4 | -40.3 | -173.5 | -69.1 | 175.5 | 0 | 0 | 0 | 110.1 | I174 V177 I181 A199 A201 V207 | I174-L203 HydrophobicContact CD1-CB 3.99Å; V177-L203 HydrophobicContact CG1-CD1 3.62Å; I181-L203 HydrophobicContact CD1-CD1 4.22Å; A199-L203 WeakPolarHBondContact O-CB 3.41Å; A199-L203 WeakPolarHBondContact O-CG 3.48Å; A199-L203 PolarHBondContact O-N 2.93Å; A201-L203 PolarHBondContact O-N 3.04Å; L203-V207 VanDerWaalsContact O-CB 3.28Å; L203-V207 WeakPolarHBondContact O-CB 3.46Å; L203-V207 WeakPolarHBondContact O-CG2 3.28Å; L203-V207 PolarHBondContact O-N 2.92Å |
| 204 | G | 90.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -71.5 | -35.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | K89 A200 A201 L206 V207 T208 | K89-G204 VanDerWaalsContact CD-CA 3.45Å; K89-G204 WeakPolarHBondContact CD-O 3.22Å; K89-G204 VanDerWaalsContact CE-CA 3.43Å; A200-G204 PolarHBondContact O-N 3.39Å; A201-G204 PolarHBondContact O-N 2.99Å; G204-L206 VanDerWaalsContact C-N 3.34Å; G204-L206 PolarHBondContact O-N 2.85Å; G204-V207 PolarHBondContact O-N 3.27Å; G204-T208 WeakPolarHBondContact O-CB 3.47Å; G204-T208 PolarHBondContact O-N 3.47Å; G204-T208 PolarHBondContact O-OG1 3.45Å |
| 205 | D | 92.5 | Very high | 91.3 | Very high | 9 Ų | 9 | 22.4 Ų | 22.4 | 5% | 0.048 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 178.8 | -79 | 2.3 | 0 | 0 | 0 | 109.9 | M55 A58 L86 K89 A201 T208 V209 V303 | M55-D205 HydrophobicContact CG-CB 4.36Å; M55-D205 WeakPolarHBondContact CG-OD2 3.41Å; A58-D205 HydrophobicContact CB-CB 4.17Å; L86-D205 HydrophobicContact CD2-CB 4.31Å; K89-D205 WeakPolarHBondContact CE-OD1 3.33Å; A201-D205 PolarHBondContact O-N 2.79Å; D205-T208 PolarHBondContact O-N 3.46Å; D205-V209 WeakPolarHBondContact O-CG2 3.44Å; D205-V209 PolarHBondContact O-N 2.82Å; D205-V303 HydrophobicContact CB-CG1 4.39Å |
| 206 | L | 92.5 | Very high | 91.4 | Very high | 47 Ų | 47 | 20.4 Ų | 20.4 | 25% | 0.246 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.2 | -52.8 | 176.6 | -178.9 | 61.2 | 0 | 0 | 0 | 112.3 | V57 A58 G204 T208 V209 L210 | V57-L206 HydrophobicContact CG1-CD1 3.85Å; A58-L206 HydrophobicContact CB-CB 4.33Å; A58-L206 HydrophobicContact CB-CD1 4.41Å; G204-L206 VanDerWaalsContact C-N 3.34Å; G204-L206 PolarHBondContact O-N 2.85Å; L206-T208 VanDerWaalsContact C-N 3.29Å; L206-T208 PolarHBondContact O-N 3.39Å; L206-V209 PolarHBondContact O-N 2.84Å; L206-L210 HydrophobicContact CD1-CD1 4.38Å; L206-L210 HydrophobicContact CG-CD1 4.22Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.4Å; L206-L210 PolarHBondContact O-N 2.99Å; L206-L210 VanDerWaalsContact O-N 3.08Å |
| 207 | V | 94 | Very high | 91.5 | Very high | 26 Ų | 26 | 26.1 Ų | 26.1 | 16% | 0.158 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.2 | -39.1 | -179.4 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | F173 I174 L203 G204 L210 I211 | F173-V207 HydrophobicContact CD1-CG1 3.91Å; F173-V207 HydrophobicContact CD1-CG2 4.21Å; F173-V207 HydrophobicContact CE1-CG1 4.41Å; F173-V207 HydrophobicContact CE1-CG2 3.96Å; I174-V207 HydrophobicContact CD1-CB 3.97Å; I174-V207 HydrophobicContact CD1-CG1 4.23Å; I174-V207 HydrophobicContact CD1-CG2 3.96Å; I174-V207 HydrophobicContact CG1-CG1 4.46Å; L203-V207 VanDerWaalsContact O-CB 3.28Å; L203-V207 WeakPolarHBondContact O-CB 3.46Å; L203-V207 WeakPolarHBondContact O-CG2 3.28Å; L203-V207 PolarHBondContact O-N 2.92Å; G204-V207 PolarHBondContact O-N 3.27Å; V207-L210 PolarHBondContact O-N 2.97Å; V207-I211 HydrophobicContact CG1-CD1 3.55Å; V207-I211 HydrophobicContact CG1-CG1 4.22Å; V207-I211 VanDerWaalsContact O-CG1 3.25Å; V207-I211 WeakPolarHBondContact O-CG1 3.09Å; V207-I211 PolarHBondContact O-N 3.3Å |
| 208 | T | 94.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.6 | -47.5 | -179.2 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | I85 L86 K89 T166 G204 D205 L206 L210 I211 I212 | I85-T208 HydrophobicContact CG2-CG2 3.57Å; L86-T208 HydrophobicContact CD2-CG2 3.9Å; K89-T208 WeakPolarHBondContact CD-OG1 3.38Å; T166-T208 HydrophobicContact CG2-CG2 3.79Å; G204-T208 WeakPolarHBondContact O-CB 3.47Å; G204-T208 PolarHBondContact O-N 3.47Å; G204-T208 PolarHBondContact O-OG1 3.45Å; D205-T208 PolarHBondContact O-N 3.46Å; L206-T208 VanDerWaalsContact C-N 3.29Å; L206-T208 PolarHBondContact O-N 3.39Å; T208-L210 VanDerWaalsContact C-N 3.3Å; T208-L210 PolarHBondContact O-N 3.37Å; T208-I211 PolarHBondContact O-N 3.36Å; T208-I212 HydrophobicContact CG2-CD1 4.11Å; T208-I212 HydrophobicContact CG2-CG1 4.45Å; T208-I212 VanDerWaalsContact O-CG1 3.31Å; T208-I212 WeakPolarHBondContact O-CG1 3.13Å; T208-I212 PolarHBondContact O-N 2.88Å |
| 209 | V | 92.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -39.9 | 177 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | A58 Y61 V62 L65 L86 D205 L206 I212 S213 | A58-V209 HydrophobicContact CB-CG2 4.46Å; Y61-V209 HydrophobicContact CD1-CG1 3.6Å; Y61-V209 HydrophobicContact CE1-CG1 4.17Å; V62-V209 HydrophobicContact CG2-CB 4.31Å; V62-V209 HydrophobicContact CG2-CG1 3.49Å; V62-V209 VanDerWaalsContact CG2-CG1 3.49Å; V62-V209 HydrophobicContact CG2-CG2 3.76Å; L65-V209 HydrophobicContact CD1-CG1 4.23Å; L86-V209 HydrophobicContact CD1-CG2 4.32Å; L86-V209 HydrophobicContact CD2-CG2 4.06Å; D205-V209 WeakPolarHBondContact O-CG2 3.44Å; D205-V209 PolarHBondContact O-N 2.82Å; L206-V209 PolarHBondContact O-N 2.84Å; V209-I212 PolarHBondContact O-N 3.27Å; V209-S213 PolarHBondContact O-N 2.69Å; V209-S213 VanDerWaalsContact O-N 3.08Å |
| 210 | L | 93.6 | Very high | 91.5 | Very high | 59 Ų | 59 | 36.5 Ų | 36.5 | 31% | 0.309 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60 | -47.8 | 174.7 | -70.9 | 171 | 0 | 0 | 0 | 111.2 | Y61 L206 V207 T208 S213 H214 | Y61-L210 HydrophobicContact CD1-CD2 4.31Å; Y61-L210 HydrophobicContact CE1-CD2 3.73Å; Y61-L210 HydrophobicContact CE2-CD2 3.98Å; L206-L210 HydrophobicContact CD1-CD1 4.38Å; L206-L210 HydrophobicContact CG-CD1 4.22Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.4Å; L206-L210 PolarHBondContact O-N 2.99Å; L206-L210 VanDerWaalsContact O-N 3.08Å; V207-L210 PolarHBondContact O-N 2.97Å; T208-L210 VanDerWaalsContact C-N 3.3Å; T208-L210 PolarHBondContact O-N 3.37Å; L210-S213 WeakPolarHBondContact O-CB 3.01Å; L210-S213 PolarHBondContact O-N 3.46Å; L210-H214 PolarHBondContact O-N 3.44Å; L210-H214 VanDerWaalsContact O-N 3.14Å; L210-H214 PolarHBondContact O-ND1 3.4Å |
| 211 | I | 94.7 | Very high | 91.5 | Very high | 34 Ų | 34 | 41.6 Ų | 41.6 | 17% | 0.174 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 179.4 | -65.9 | 167.6 | 0 | 0 | 0 | 110.9 | T166 C169 A170 V207 T208 S213 H214 V215 | T166-I211 HydrophobicContact CG2-CB 4.18Å; T166-I211 HydrophobicContact CG2-CG2 3.98Å; C169-I211 HydrophobicContact CB-CD1 4.04Å; C169-I211 HydrophobicContact CB-CG2 4.24Å; A170-I211 HydrophobicContact CB-CD1 4.04Å; V207-I211 HydrophobicContact CG1-CD1 3.55Å; V207-I211 HydrophobicContact CG1-CG1 4.22Å; V207-I211 VanDerWaalsContact O-CG1 3.25Å; V207-I211 WeakPolarHBondContact O-CG1 3.09Å; V207-I211 PolarHBondContact O-N 3.3Å; T208-I211 PolarHBondContact O-N 3.36Å; I211-S213 VanDerWaalsContact C-N 3.27Å; I211-S213 PolarHBondContact O-N 3.03Å; I211-H214 PolarHBondContact O-N 3.2Å; I211-V215 HydrophobicContact CG2-CG2 3.81Å; I211-V215 WeakPolarHBondContact O-CB 3.43Å; I211-V215 VanDerWaalsContact O-CG2 3.28Å; I211-V215 WeakPolarHBondContact O-CG2 3.45Å; I211-V215 PolarHBondContact O-N 3.49Å |
| 212 | I | 92.4 | Very high | 91.7 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.5 | -48.3 | 176.6 | -69.2 | 174.3 | 0 | 0 | 0 | 110.2 | I78 I82 I85 I162 T166 T208 V209 H214 V215 N216 | I78-I212 HydrophobicContact CG2-CG2 4.46Å; I82-I212 HydrophobicContact CG1-CD1 4.24Å; I85-I212 HydrophobicContact CB-CD1 4.45Å; I85-I212 HydrophobicContact CD1-CD1 4.04Å; I85-I212 HydrophobicContact CG2-CD1 4.09Å; I162-I212 HydrophobicContact CG2-CG2 4.19Å; T166-I212 HydrophobicContact CG2-CB 4.46Å; T166-I212 HydrophobicContact CG2-CD1 4.19Å; T166-I212 HydrophobicContact CG2-CG1 3.34Å; T208-I212 HydrophobicContact CG2-CD1 4.11Å; T208-I212 HydrophobicContact CG2-CG1 4.45Å; T208-I212 VanDerWaalsContact O-CG1 3.31Å; T208-I212 WeakPolarHBondContact O-CG1 3.13Å; T208-I212 PolarHBondContact O-N 2.88Å; V209-I212 PolarHBondContact O-N 3.27Å; I212-H214 PolarHBondContact O-N 2.93Å; I212-V215 PolarHBondContact O-N 2.96Å; I212-N216 VanDerWaalsContact O-CB 3.25Å; I212-N216 WeakPolarHBondContact O-CB 3.18Å; I212-N216 PolarHBondContact O-N 2.95Å |
| 213 | S | 89.5 | Confident | 91.9 | Very high | 20 Ų | 20 | 48.2 Ų | 48.2 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.8 | -49.3 | 179.8 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | L65 V209 L210 I211 N216 Y217 | L65-S213 WeakPolarHBondContact CD2-OG 3.38Å; V209-S213 PolarHBondContact O-N 2.69Å; V209-S213 VanDerWaalsContact O-N 3.08Å; L210-S213 WeakPolarHBondContact O-CB 3.01Å; L210-S213 PolarHBondContact O-N 3.46Å; I211-S213 VanDerWaalsContact C-N 3.27Å; I211-S213 PolarHBondContact O-N 3.03Å; S213-N216 PolarHBondContact O-N 3.3Å; S213-Y217 WeakPolarHBondContact O-CB 3.31Å; S213-Y217 PolarHBondContact O-N 2.86Å |
| 214 | H | 92.2 | Very high | 92.2 | Very high | 95 Ų | 95 | 50.3 Ų | 50.3 | 44% | 0.44 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.8 | -44.7 | -179 | -70.8 | 81.2 | 0 | 0 | 0 | 112 | L210 I211 I212 N216 Y217 Y218 | L210-H214 PolarHBondContact O-N 3.44Å; L210-H214 VanDerWaalsContact O-N 3.14Å; L210-H214 PolarHBondContact O-ND1 3.4Å; I211-H214 PolarHBondContact O-N 3.2Å; I212-H214 PolarHBondContact O-N 2.93Å; H214-N216 VanDerWaalsContact C-N 3.32Å; H214-N216 PolarHBondContact O-N 2.97Å; H214-Y217 WeakPolarHBondContact O-CB 3.35Å; H214-Y217 PolarHBondContact O-N 2.72Å; H214-Y218 HydrophobicContact CB-CE2 4.35Å; H214-Y218 WeakPolarHBondContact O-CD2 3.13Å; H214-Y218 PolarHBondContact O-N 3.2Å |
| 215 | V | 92.8 | Very high | 92.4 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 178.5 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | I162 M165 I211 I212 Y217 Y218 F219 | I162-V215 HydrophobicContact CB-CG1 4.42Å; I162-V215 HydrophobicContact CG1-CG1 4.15Å; M165-V215 HydrophobicContact CB-CG1 4Å; M165-V215 HydrophobicContact CB-CG2 4.31Å; M165-V215 HydrophobicContact CE-CG1 4.24Å; M165-V215 HydrophobicContact SD-CG1 3.96Å; I211-V215 HydrophobicContact CG2-CG2 3.81Å; I211-V215 WeakPolarHBondContact O-CB 3.43Å; I211-V215 VanDerWaalsContact O-CG2 3.28Å; I211-V215 WeakPolarHBondContact O-CG2 3.45Å; I211-V215 PolarHBondContact O-N 3.49Å; I212-V215 PolarHBondContact O-N 2.96Å; V215-Y217 PolarHBondContact O-N 3.18Å; V215-Y218 PolarHBondContact O-N 3.37Å; V215-F219 PolarHBondContact O-N 2.86Å |
| 216 | N | 90.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.043 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 174.7 | -171.3 | 45.5 | 0 | 0 | 0 | 111.9 | I78 H158 I162 I212 S213 H214 F219 K220 | I78-N216 WeakPolarHBondContact CD1-ND2 3.37Å; I78-N216 VanDerWaalsContact CD1-OD1 3.31Å; I78-N216 WeakPolarHBondContact CD1-OD1 3.39Å; H158-N216 PolarHBondContact NE2-OD1 2.94Å; I162-N216 HydrophobicContact CD1-CB 3.75Å; I162-N216 WeakPolarHBondContact CD1-OD1 3.43Å; I212-N216 VanDerWaalsContact O-CB 3.25Å; I212-N216 WeakPolarHBondContact O-CB 3.18Å; I212-N216 PolarHBondContact O-N 2.95Å; S213-N216 PolarHBondContact O-N 3.3Å; H214-N216 VanDerWaalsContact C-N 3.32Å; H214-N216 PolarHBondContact O-N 2.97Å; N216-F219 PolarHBondContact O-N 2.78Å; N216-K220 WeakPolarHBondContact O-CG 3.5Å; N216-K220 PolarHBondContact O-N 2.87Å; N216-K220 VanDerWaalsContact O-N 3.1Å |
| 217 | Y | 89.7 | Confident | 92.6 | Very high | 120 Ų | 120 | 55.1 Ų | 55.1 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 175.2 | 174.8 | -96.2 | 0 | 0 | 0 | 112.1 | S213 H214 V215 F219 K220 M221 | S213-Y217 WeakPolarHBondContact O-CB 3.31Å; S213-Y217 PolarHBondContact O-N 2.86Å; H214-Y217 WeakPolarHBondContact O-CB 3.35Å; H214-Y217 PolarHBondContact O-N 2.72Å; V215-Y217 PolarHBondContact O-N 3.18Å; Y217-F219 VanDerWaalsContact C-N 3.35Å; Y217-F219 PolarHBondContact O-N 3.24Å; Y217-K220 PolarHBondContact O-N 3.21Å; Y217-M221 HydrophobicContact CD2-CE 4.48Å; Y217-M221 HydrophobicContact CE1-CG 4.1Å; Y217-M221 HydrophobicContact CE2-CE 3.53Å; Y217-M221 HydrophobicContact CE2-CG 4.35Å; Y217-M221 PolarHBondContact O-N 2.84Å; Y217-M221 VanDerWaalsContact O-N 3.13Å; Y217-M221 WeakPolarHBondContact OH-CE 3.47Å |
| 218 | Y | 91.6 | Very high | 92.7 | Very high | 138 Ų | 138 | 56.6 Ų | 56.6 | 54% | 0.541 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 177.2 | -74.8 | -63.2 | 0 | 0 | 0 | 112.6 | H214 V215 K220 M221 N222 T226 | H214-Y218 HydrophobicContact CB-CE2 4.35Å; H214-Y218 WeakPolarHBondContact O-CD2 3.13Å; H214-Y218 PolarHBondContact O-N 3.2Å; V215-Y218 PolarHBondContact O-N 3.37Å; Y218-K220 VanDerWaalsContact C-N 3.31Å; Y218-K220 PolarHBondContact O-N 2.9Å; Y218-M221 PolarHBondContact O-N 2.94Å; Y218-N222 PolarHBondContact O-N 2.92Å; Y218-T226 PolarHBondContact O-OG1 3.44Å |
| 219 | F | 91.8 | Very high | 92.8 | Very high | 22 Ų | 22 | 59.3 Ų | 59.3 | 10% | 0.096 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 176.6 | -165 | -76.2 | 0 | 0 | 0 | 111.5 | H158 C161 V215 N216 Y217 M221 P223 T226 V227 | H158-F219 HydrophobicContact CB-CD1 4.45Å; H158-F219 HydrophobicContact CB-CE1 3.78Å; H158-F219 HydrophobicContact CB-CE2 4.26Å; H158-F219 HydrophobicContact CB-CZ 3.67Å; H158-F219 AromaticContact CE1-CD1 3.49Å; H158-F219 VanDerWaalsContact CE1-CD1 3.49Å; H158-F219 WeakPolarHBondContact CE1-CD1 3.34Å; H158-F219 AromaticContact CE1-CE1 3.95Å; H158-F219 AromaticContact CG-CD1 3.83Å; H158-F219 AromaticContact CG-CE1 3.63Å; H158-F219 AromaticContact CG-CZ 3.95Å; H158-F219 AromaticContact ND1-CD1 3.02Å; H158-F219 WeakPolarHBondContact ND1-CD1 3.48Å; H158-F219 AromaticContact ND1-CE1 3.02Å; H158-F219 WeakPolarHBondContact ND1-CE1 3.39Å; H158-F219 AromaticContact ND1-CG 3.83Å; H158-F219 AromaticContact ND1-CZ 3.82Å; C161-F219 HydrophobicContact CB-CD2 4.05Å; C161-F219 HydrophobicContact CB-CE2 3.84Å; V215-F219 PolarHBondContact O-N 2.86Å; N216-F219 PolarHBondContact O-N 2.78Å; Y217-F219 VanDerWaalsContact C-N 3.35Å; Y217-F219 PolarHBondContact O-N 3.24Å; F219-M221 VanDerWaalsContact C-N 3.34Å; F219-M221 PolarHBondContact O-N 3.44Å; F219-P223 HydrophobicContact CD1-CB 4.15Å; F219-P223 HydrophobicContact CE1-CB 3.81Å; F219-P223 HydrophobicContact CZ-CB 4.22Å; F219-P223 WeakPolarHBondContact O-CA 3.41Å; F219-P223 WeakPolarHBondContact O-CB 2.99Å; F219-P223 WeakPolarHBondContact O-CD 3.36Å; F219-P223 VanDerWaalsContact O-N 3.13Å; F219-T226 WeakPolarHBondContact CA-OG1 3.31Å; F219-T226 HydrophobicContact CB-CG2 3.98Å; F219-T226 HydrophobicContact CD2-CG2 3.61Å; F219-T226 HydrophobicContact CG-CG2 4.23Å; F219-T226 PolarHBondContact N-OG1 3.35Å; F219-V227 HydrophobicContact CE2-CG2 3.68Å; F219-V227 HydrophobicContact CZ-CG2 4.01Å |
| 220 | K | 88 | Confident | 93 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 35% | 0.352 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 176.5 | -72 | 178.9 | 179.2 | -175.5 | 0 | 112.7 | S70 D75 N216 Y217 Y218 | S70-K220 PolarHBondContact O-NZ 3.35Å; D75-K220 WeakPolarHBondContact OD1-CE 3.38Å; D75-K220 IonicContact OD1-NZ 3.67Å; D75-K220 WeakPolarHBondContact OD2-CE 3.42Å; D75-K220 IonicContact OD2-NZ 2.63Å; D75-K220 PolarHBondContact OD2-NZ 2.73Å; N216-K220 WeakPolarHBondContact O-CG 3.5Å; N216-K220 PolarHBondContact O-N 2.87Å; N216-K220 VanDerWaalsContact O-N 3.1Å; Y217-K220 PolarHBondContact O-N 3.21Å; Y218-K220 VanDerWaalsContact C-N 3.31Å; Y218-K220 PolarHBondContact O-N 2.9Å |
| 221 | M | 91.5 | Very high | 93.1 | Very high | 107 Ų | 107 | 60.6 Ų | 60.6 | 53% | 0.527 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -74 | -41.7 | -178.5 | -70.9 | -61.4 | 178.7 | 0 | 0 | 112.6 | Y217 Y218 F219 | Y217-M221 HydrophobicContact CD2-CE 4.48Å; Y217-M221 HydrophobicContact CE1-CG 4.1Å; Y217-M221 HydrophobicContact CE2-CE 3.53Å; Y217-M221 HydrophobicContact CE2-CG 4.35Å; Y217-M221 PolarHBondContact O-N 2.84Å; Y217-M221 VanDerWaalsContact O-N 3.13Å; Y217-M221 WeakPolarHBondContact OH-CE 3.47Å; Y218-M221 PolarHBondContact O-N 2.94Å; F219-M221 VanDerWaalsContact C-N 3.34Å; F219-M221 PolarHBondContact O-N 3.44Å |
| 222 | N | 93.5 | Very high | 93.3 | Very high | 91 Ų | 91 | 62.3 Ų | 62.3 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | trans | -144.3 | 75.5 | -176.3 | -70 | -65 | 0 | 0 | 0 | 111.6 | Y218 T224 L225 T226 | Y218-N222 PolarHBondContact O-N 2.92Å; N222-T224 PolarHBondContact O-N 3.28Å; N222-L225 HydrophobicContact CB-CB 4.08Å; N222-L225 PolarHBondContact O-N 2.96Å; N222-T226 PolarHBondContact O-N 3.08Å; N222-T226 PolarHBondContact O-OG1 3.4Å; N222-T226 VanDerWaalsContact O-OG1 3.08Å | ||
| 223 | P | 92.4 | Very high | 93.4 | Very high | 62 Ų | 62 | 65.2 Ų | 65.2 | 40% | 0.403 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | -170.7 | 21.9 | -33.2 | 0 | 0 | 0 | 113 | F219 L225 T226 V227 | F219-P223 HydrophobicContact CD1-CB 4.15Å; F219-P223 HydrophobicContact CE1-CB 3.81Å; F219-P223 HydrophobicContact CZ-CB 4.22Å; F219-P223 WeakPolarHBondContact O-CA 3.41Å; F219-P223 WeakPolarHBondContact O-CB 2.99Å; F219-P223 WeakPolarHBondContact O-CD 3.36Å; F219-P223 VanDerWaalsContact O-N 3.13Å; P223-L225 PolarHBondContact O-N 3.48Å; P223-T226 PolarHBondContact O-N 3.15Å; P223-V227 VanDerWaalsContact O-CG2 3.27Å; P223-V227 WeakPolarHBondContact O-CG2 3.49Å; P223-V227 PolarHBondContact O-N 2.96Å |
| 224 | T | 94.5 | Very high | 93.8 | Very high | 118 Ų | 118 | 65.9 Ų | 65.9 | 72% | 0.724 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | -179.8 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | N222 A228 | N222-T224 PolarHBondContact O-N 3.28Å; T224-A228 PolarHBondContact O-N 3.48Å |
| 225 | L | 95.2 | Very high | 94 | Very high | 105 Ų | 105 | 63.6 Ų | 63.6 | 55% | 0.55 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 177.1 | -178.7 | 62.6 | 0 | 0 | 0 | 110.8 | N222 P223 V227 A228 V229 | N222-L225 HydrophobicContact CB-CB 4.08Å; N222-L225 PolarHBondContact O-N 2.96Å; P223-L225 PolarHBondContact O-N 3.48Å; L225-V227 VanDerWaalsContact C-N 3.33Å; L225-V227 PolarHBondContact O-N 2.88Å; L225-A228 PolarHBondContact O-N 2.88Å; L225-V229 HydrophobicContact CD1-CG2 4.26Å; L225-V229 HydrophobicContact CG-CG2 4.37Å; L225-V229 WeakPolarHBondContact O-CB 3.44Å; L225-V229 VanDerWaalsContact O-CG2 3.29Å; L225-V229 WeakPolarHBondContact O-CG2 3.07Å; L225-V229 PolarHBondContact O-N 3.36Å |
| 226 | T | 93.9 | Very high | 94.2 | Very high | 8 Ų | 8 | 66.2 Ų | 66.2 | 5% | 0.049 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 179.2 | -53.1 | 0 | 0 | 0 | 0 | 111.8 | M165 Y218 F219 N222 P223 V229 A230 | M165-T226 HydrophobicContact CE-CG2 4.37Å; M165-T226 HydrophobicContact SD-CG2 3.74Å; Y218-T226 PolarHBondContact O-OG1 3.44Å; F219-T226 WeakPolarHBondContact CA-OG1 3.31Å; F219-T226 HydrophobicContact CB-CG2 3.98Å; F219-T226 HydrophobicContact CD2-CG2 3.61Å; F219-T226 HydrophobicContact CG-CG2 4.23Å; F219-T226 PolarHBondContact N-OG1 3.35Å; N222-T226 PolarHBondContact O-N 3.08Å; N222-T226 PolarHBondContact O-OG1 3.4Å; N222-T226 VanDerWaalsContact O-OG1 3.08Å; P223-T226 PolarHBondContact O-N 3.15Å; T226-V229 PolarHBondContact O-N 3.18Å; T226-A230 WeakPolarHBondContact O-CB 3.49Å; T226-A230 PolarHBondContact O-N 3.35Å |
| 227 | V | 95.9 | Very high | 94.6 | Very high | 43 Ų | 43 | 66.6 Ų | 66.6 | 26% | 0.261 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 173.1 | 173.7 | 0 | 0 | 0 | 0 | 111 | V157 F219 P223 L225 V229 A230 V231 | V157-V227 HydrophobicContact CG1-CG1 4.43Å; V157-V227 HydrophobicContact CG1-CG2 4.08Å; F219-V227 HydrophobicContact CE2-CG2 3.68Å; F219-V227 HydrophobicContact CZ-CG2 4.01Å; P223-V227 VanDerWaalsContact O-CG2 3.27Å; P223-V227 WeakPolarHBondContact O-CG2 3.49Å; P223-V227 PolarHBondContact O-N 2.96Å; L225-V227 VanDerWaalsContact C-N 3.33Å; L225-V227 PolarHBondContact O-N 2.88Å; V227-V229 VanDerWaalsContact C-N 3.34Å; V227-V229 PolarHBondContact O-N 3.11Å; V227-A230 PolarHBondContact O-N 3.41Å; V227-V231 HydrophobicContact CG1-CG2 4.46Å; V227-V231 WeakPolarHBondContact O-CG2 3.47Å; V227-V231 PolarHBondContact O-N 3.45Å |
| 228 | A | 96.3 | Very high | 94.9 | Very high | 58 Ų | 58 | 63.3 Ų | 63.3 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | T224 L225 C232 | T224-A228 PolarHBondContact O-N 3.48Å; L225-A228 PolarHBondContact O-N 2.88Å; A228-C232 WeakPolarHBondContact O-CB 3.4Å; A228-C232 PolarHBondContact O-N 3.27Å |
| 229 | V | 96.5 | Very high | 95.1 | Very high | 58 Ų | 58 | 61.9 Ų | 61.9 | 35% | 0.352 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 175 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | M165 L225 T226 V227 V231 C232 M233 | M165-V229 HydrophobicContact CE-CG1 3.8Å; L225-V229 HydrophobicContact CD1-CG2 4.26Å; L225-V229 HydrophobicContact CG-CG2 4.37Å; L225-V229 WeakPolarHBondContact O-CB 3.44Å; L225-V229 VanDerWaalsContact O-CG2 3.29Å; L225-V229 WeakPolarHBondContact O-CG2 3.07Å; L225-V229 PolarHBondContact O-N 3.36Å; T226-V229 PolarHBondContact O-N 3.18Å; V227-V229 VanDerWaalsContact C-N 3.34Å; V227-V229 PolarHBondContact O-N 3.11Å; V229-V231 PolarHBondContact O-N 3.13Å; V229-C232 PolarHBondContact O-N 3.04Å; V229-M233 HydrophobicContact CG1-CG 4.08Å; V229-M233 WeakPolarHBondContact O-CB 3.46Å; V229-M233 WeakPolarHBondContact O-CG 3.13Å; V229-M233 PolarHBondContact O-N 3.11Å |
| 230 | A | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.6 | -48 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | C161 M165 T226 V227 C232 M233 I234 | C161-A230 HydrophobicContact CB-CB 3.88Å; M165-A230 HydrophobicContact CG-CB 3.76Å; M165-A230 HydrophobicContact SD-CB 3.75Å; T226-A230 WeakPolarHBondContact O-CB 3.49Å; T226-A230 PolarHBondContact O-N 3.35Å; V227-A230 PolarHBondContact O-N 3.41Å; A230-C232 VanDerWaalsContact C-N 3.35Å; A230-C232 PolarHBondContact O-N 3.45Å; A230-M233 PolarHBondContact O-N 3.1Å; A230-I234 WeakPolarHBondContact O-CB 3.43Å; A230-I234 WeakPolarHBondContact O-CD1 3.16Å; A230-I234 VanDerWaalsContact O-CG1 3.24Å; A230-I234 WeakPolarHBondContact O-CG1 3.47Å; A230-I234 PolarHBondContact O-N 3.38Å |
| 231 | V | 96.7 | Very high | 95.7 | Very high | 88 Ų | 88 | 62.5 Ų | 62.5 | 53% | 0.533 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 177.5 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | V227 V229 S235 | V227-V231 HydrophobicContact CG1-CG2 4.46Å; V227-V231 WeakPolarHBondContact O-CG2 3.47Å; V227-V231 PolarHBondContact O-N 3.45Å; V229-V231 PolarHBondContact O-N 3.13Å; V231-S235 WeakPolarHBondContact O-CB 3.45Å; V231-S235 PolarHBondContact O-N 2.83Å; V231-S235 PolarHBondContact O-OG 3.08Å |
| 232 | C | 97.1 | Very high | 95.8 | Very high | 70 Ų | 70 | 61.1 Ų | 61.1 | 47% | 0.473 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 175.4 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | A228 V229 A230 I234 S235 V236 | A228-C232 WeakPolarHBondContact O-CB 3.4Å; A228-C232 PolarHBondContact O-N 3.27Å; V229-C232 PolarHBondContact O-N 3.04Å; A230-C232 VanDerWaalsContact C-N 3.35Å; A230-C232 PolarHBondContact O-N 3.45Å; C232-I234 PolarHBondContact O-N 3.28Å; C232-S235 WeakPolarHBondContact CA-OG 3.27Å; C232-S235 PolarHBondContact O-N 2.99Å; C232-S235 PolarHBondContact O-OG 3.38Å; C232-V236 WeakPolarHBondContact O-CB 3.31Å; C232-V236 VanDerWaalsContact O-CG2 3.27Å; C232-V236 WeakPolarHBondContact O-CG2 3.33Å; C232-V236 PolarHBondContact O-N 3.35Å |
| 233 | M | 96.5 | Very high | 95.8 | Very high | 66 Ų | 66 | 59.9 Ų | 59.9 | 33% | 0.325 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 178.6 | -71.3 | -66.2 | -69.3 | 0 | 0 | 111.8 | I168 V229 A230 V237 | I168-M233 HydrophobicContact CD1-CB 4.28Å; I168-M233 HydrophobicContact CG2-CE 3.86Å; V229-M233 HydrophobicContact CG1-CG 4.08Å; V229-M233 WeakPolarHBondContact O-CB 3.46Å; V229-M233 WeakPolarHBondContact O-CG 3.13Å; V229-M233 PolarHBondContact O-N 3.11Å; A230-M233 PolarHBondContact O-N 3.1Å; M233-V237 VanDerWaalsContact O-CB 3.27Å; M233-V237 WeakPolarHBondContact O-CB 3.4Å; M233-V237 WeakPolarHBondContact O-CG2 3.25Å; M233-V237 PolarHBondContact O-N 2.91Å |
| 234 | I | 96.8 | Very high | 95.9 | Very high | 34 Ų | 34 | 60.2 Ų | 60.2 | 17% | 0.174 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.4 | -50.7 | 176.9 | -70.5 | 162.8 | 0 | 0 | 0 | 110.4 | V130 I168 A230 C232 V237 L238 | V130-I234 HydrophobicContact CG1-CG2 3.86Å; I168-I234 HydrophobicContact CD1-CG1 4.16Å; A230-I234 WeakPolarHBondContact O-CB 3.43Å; A230-I234 WeakPolarHBondContact O-CD1 3.16Å; A230-I234 VanDerWaalsContact O-CG1 3.24Å; A230-I234 WeakPolarHBondContact O-CG1 3.47Å; A230-I234 PolarHBondContact O-N 3.38Å; C232-I234 PolarHBondContact O-N 3.28Å; I234-V237 PolarHBondContact O-N 3.35Å; I234-L238 HydrophobicContact CG2-CD1 3.81Å; I234-L238 HydrophobicContact CG2-CG 4.39Å; I234-L238 WeakPolarHBondContact O-CB 3.39Å; I234-L238 VanDerWaalsContact O-CG 3.29Å; I234-L238 WeakPolarHBondContact O-CG 3.19Å; I234-L238 PolarHBondContact O-N 3.46Å |
| 235 | S | 97.2 | Very high | 95.8 | Very high | 47 Ų | 47 | 56.2 Ų | 56.2 | 33% | 0.329 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | -177.1 | 54.4 | 0 | 0 | 0 | 0 | 112 | V231 C232 V237 L238 I239 | V231-S235 WeakPolarHBondContact O-CB 3.45Å; V231-S235 PolarHBondContact O-N 2.83Å; V231-S235 PolarHBondContact O-OG 3.08Å; C232-S235 WeakPolarHBondContact CA-OG 3.27Å; C232-S235 PolarHBondContact O-N 2.99Å; C232-S235 PolarHBondContact O-OG 3.38Å; S235-V237 PolarHBondContact O-N 2.75Å; S235-L238 PolarHBondContact O-N 3Å; S235-I239 WeakPolarHBondContact O-CB 3.27Å; S235-I239 WeakPolarHBondContact O-CD1 3.34Å; S235-I239 WeakPolarHBondContact O-CG1 3.44Å; S235-I239 PolarHBondContact O-N 2.97Å |
| 236 | V | 97.2 | Very high | 95.5 | Very high | 67 Ų | 67 | 56.5 Ų | 56.5 | 41% | 0.406 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 177.1 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | C232 L238 I239 L240 | C232-V236 WeakPolarHBondContact O-CB 3.31Å; C232-V236 VanDerWaalsContact O-CG2 3.27Å; C232-V236 WeakPolarHBondContact O-CG2 3.33Å; C232-V236 PolarHBondContact O-N 3.35Å; V236-L238 PolarHBondContact O-N 2.89Å; V236-I239 PolarHBondContact O-N 3.02Å; V236-L240 HydrophobicContact CG1-CD1 3.61Å; V236-L240 HydrophobicContact CG1-CG 4.18Å; V236-L240 VanDerWaalsContact O-CB 3.31Å; V236-L240 WeakPolarHBondContact O-CB 3.32Å; V236-L240 VanDerWaalsContact O-CG 3.24Å; V236-L240 WeakPolarHBondContact O-CG 3.23Å; V236-L240 PolarHBondContact O-N 3.38Å |
| 237 | V | 96.8 | Very high | 95.2 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.8 | -44.4 | -179.2 | 168.8 | 0 | 0 | 0 | 0 | 111.6 | L126 V130 I168 M233 I234 S235 S241 | L126-V237 HydrophobicContact CB-CG1 3.83Å; L126-V237 HydrophobicContact CD1-CG1 4.39Å; L126-V237 HydrophobicContact CD2-CG1 4.23Å; L126-V237 HydrophobicContact CG-CG1 4.38Å; V130-V237 HydrophobicContact CG2-CG1 4.16Å; I168-V237 HydrophobicContact CD1-CB 4.49Å; I168-V237 HydrophobicContact CD1-CG2 4.28Å; I168-V237 HydrophobicContact CG1-CG2 4.44Å; I168-V237 HydrophobicContact CG2-CG2 3.7Å; M233-V237 VanDerWaalsContact O-CB 3.27Å; M233-V237 WeakPolarHBondContact O-CB 3.4Å; M233-V237 WeakPolarHBondContact O-CG2 3.25Å; M233-V237 PolarHBondContact O-N 2.91Å; I234-V237 PolarHBondContact O-N 3.35Å; S235-V237 PolarHBondContact O-N 2.75Å; V237-S241 WeakPolarHBondContact O-CB 3.44Å; V237-S241 PolarHBondContact O-N 3.21Å; V237-S241 PolarHBondContact O-OG 3.42Å |
| 238 | L | 96.8 | Very high | 94.7 | Very high | 51 Ų | 51 | 61 Ų | 61 | 27% | 0.267 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 177.5 | -73 | 176.7 | 0 | 0 | 0 | 111.3 | V130 I234 S235 V236 I242 | V130-L238 HydrophobicContact CB-CD2 4.02Å; V130-L238 HydrophobicContact CB-CG 4.47Å; V130-L238 HydrophobicContact CG1-CD1 3.96Å; V130-L238 HydrophobicContact CG1-CD2 3.9Å; V130-L238 HydrophobicContact CG1-CG 4Å; V130-L238 HydrophobicContact CG2-CD2 4.33Å; V130-L238 HydrophobicContact CG2-CG 4.49Å; I234-L238 HydrophobicContact CG2-CD1 3.81Å; I234-L238 HydrophobicContact CG2-CG 4.39Å; I234-L238 WeakPolarHBondContact O-CB 3.39Å; I234-L238 VanDerWaalsContact O-CG 3.29Å; I234-L238 WeakPolarHBondContact O-CG 3.19Å; I234-L238 PolarHBondContact O-N 3.46Å; S235-L238 PolarHBondContact O-N 3Å; V236-L238 PolarHBondContact O-N 2.89Å; L238-I242 HydrophobicContact CB-CD1 4.37Å; L238-I242 HydrophobicContact CD2-CD1 4.44Å; L238-I242 WeakPolarHBondContact O-CB 3.43Å; L238-I242 WeakPolarHBondContact O-CG1 3.25Å; L238-I242 PolarHBondContact O-N 3.33Å |
| 239 | I | 96.9 | Very high | 93.6 | Very high | 108 Ų | 108 | 60.2 Ų | 60.2 | 55% | 0.554 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.5 | -51.2 | 179.5 | -69.1 | 166.4 | 0 | 0 | 0 | 110.1 | S235 V236 S243 | S235-I239 WeakPolarHBondContact O-CB 3.27Å; S235-I239 WeakPolarHBondContact O-CD1 3.34Å; S235-I239 WeakPolarHBondContact O-CG1 3.44Å; S235-I239 PolarHBondContact O-N 2.97Å; V236-I239 PolarHBondContact O-N 3.02Å; I239-S243 WeakPolarHBondContact O-CB 3.46Å; I239-S243 PolarHBondContact O-N 3.42Å; I239-S243 PolarHBondContact O-OG 3.21Å |
| 240 | L | 96.6 | Very high | 92.3 | Very high | 111 Ų | 111 | 64 Ų | 64 | 58% | 0.581 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65 | -46.8 | -178.5 | -68.8 | 178.5 | 0 | 0 | 0 | 111.9 | V236 Y244 | V236-L240 HydrophobicContact CG1-CD1 3.61Å; V236-L240 HydrophobicContact CG1-CG 4.18Å; V236-L240 VanDerWaalsContact O-CB 3.31Å; V236-L240 WeakPolarHBondContact O-CB 3.32Å; V236-L240 VanDerWaalsContact O-CG 3.24Å; V236-L240 WeakPolarHBondContact O-CG 3.23Å; V236-L240 PolarHBondContact O-N 3.38Å; L240-Y244 WeakPolarHBondContact O-CB 3.49Å; L240-Y244 PolarHBondContact O-N 2.83Å |
| 241 | S | 95.5 | Very high | 91 | Very high | 6 Ų | 6 | 67.1 Ų | 67.1 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68 | -45.2 | -176 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | A123 V237 Y244 L245 | A123-S241 WeakPolarHBondContact O-CB 3.47Å; V237-S241 WeakPolarHBondContact O-CB 3.44Å; V237-S241 PolarHBondContact O-N 3.21Å; V237-S241 PolarHBondContact O-OG 3.42Å; S241-Y244 PolarHBondContact O-N 3.42Å; S241-L245 WeakPolarHBondContact O-CB 3.33Å; S241-L245 VanDerWaalsContact O-CG 3.23Å; S241-L245 WeakPolarHBondContact O-CG 3.48Å; S241-L245 PolarHBondContact O-N 3.37Å |
| 242 | I | 93.8 | Very high | 89.4 | Confident | 77 Ų | 77 | 71 Ų | 71 | 40% | 0.395 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 178.3 | -64.7 | 169.8 | 0 | 0 | 0 | 109.9 | V127 L238 Y244 L245 L246 | V127-I242 HydrophobicContact CG2-CG1 3.96Å; L238-I242 HydrophobicContact CB-CD1 4.37Å; L238-I242 HydrophobicContact CD2-CD1 4.44Å; L238-I242 WeakPolarHBondContact O-CB 3.43Å; L238-I242 WeakPolarHBondContact O-CG1 3.25Å; L238-I242 PolarHBondContact O-N 3.33Å; I242-Y244 VanDerWaalsContact C-N 3.3Å; I242-Y244 PolarHBondContact O-N 3.02Å; I242-L245 PolarHBondContact O-N 3.33Å; I242-L246 HydrophobicContact CG2-CD1 3.83Å; I242-L246 HydrophobicContact CG2-CG 4.18Å; I242-L246 WeakPolarHBondContact O-CB 3.44Å; I242-L246 VanDerWaalsContact O-CG 3.27Å; I242-L246 WeakPolarHBondContact O-CG 3.43Å; I242-L246 PolarHBondContact O-N 2.88Å |
| 243 | S | 93.3 | Very high | 88 | Confident | 65 Ų | 65 | 69 Ų | 69 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 177.4 | -59 | 0 | 0 | 0 | 0 | 111.8 | I239 L246 C247 | I239-S243 WeakPolarHBondContact O-CB 3.46Å; I239-S243 PolarHBondContact O-N 3.42Å; I239-S243 PolarHBondContact O-OG 3.21Å; S243-L246 PolarHBondContact O-N 3.26Å; S243-C247 WeakPolarHBondContact O-CB 3.21Å; S243-C247 PolarHBondContact O-N 3.42Å |
| 244 | Y | 93.5 | Very high | 86.5 | Confident | 70 Ų | 70 | 68.8 Ų | 68.8 | 28% | 0.275 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 176.5 | -173.3 | -95.9 | 0 | 0 | 0 | 112.1 | A119 T120 A123 L240 S241 I242 C247 H248 | A119-Y244 HydrophobicContact CB-CE1 3.93Å; A119-Y244 VanDerWaalsContact CB-OH 3.24Å; A119-Y244 WeakPolarHBondContact CB-OH 3.31Å; T120-Y244 HydrophobicContact CG2-CE1 3.72Å; A123-Y244 HydrophobicContact CB-CD1 3.81Å; L240-Y244 WeakPolarHBondContact O-CB 3.49Å; L240-Y244 PolarHBondContact O-N 2.83Å; S241-Y244 PolarHBondContact O-N 3.42Å; I242-Y244 VanDerWaalsContact C-N 3.3Å; I242-Y244 PolarHBondContact O-N 3.02Å; Y244-C247 PolarHBondContact O-N 3.32Å; Y244-H248 AromaticContact CD2-CD2 3.89Å; Y244-H248 AromaticContact CE1-CD2 3.66Å; Y244-H248 AromaticContact CE2-CD2 3.44Å; Y244-H248 VanDerWaalsContact CE2-CD2 3.44Å; Y244-H248 WeakPolarHBondContact CE2-CD2 3.46Å; Y244-H248 AromaticContact CE2-NE2 3.43Å; Y244-H248 WeakPolarHBondContact CE2-NE2 3.4Å; Y244-H248 AromaticContact CZ-CD2 3.3Å; Y244-H248 AromaticContact CZ-NE2 3.48Å; Y244-H248 PolarHBondContact O-CD2 3.05Å; Y244-H248 PolarHBondContact O-N 2.91Å; Y244-H248 PolarHBondContact OH-NE2 3.48Å |
| 245 | L | 92 | Very high | 85 | Confident | 34 Ų | 34 | 70.1 Ų | 70.1 | 18% | 0.178 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | 177.5 | -70.3 | 170 | 0 | 0 | 0 | 112.3 | A123 F124 V127 S241 I242 H248 S249 I262 | A123-L245 HydrophobicContact CB-CD2 4.19Å; A123-L245 HydrophobicContact CB-CG 4.03Å; F124-L245 HydrophobicContact CB-CD1 4.34Å; F124-L245 HydrophobicContact CB-CD2 4.22Å; F124-L245 HydrophobicContact CD2-CD1 4.43Å; V127-L245 HydrophobicContact CG2-CD1 4.32Å; S241-L245 WeakPolarHBondContact O-CB 3.33Å; S241-L245 VanDerWaalsContact O-CG 3.23Å; S241-L245 WeakPolarHBondContact O-CG 3.48Å; S241-L245 PolarHBondContact O-N 3.37Å; I242-L245 PolarHBondContact O-N 3.33Å; L245-H248 PolarHBondContact O-N 2.95Å; L245-S249 WeakPolarHBondContact O-CB 3.24Å; L245-S249 PolarHBondContact O-N 3.37Å; L245-I262 HydrophobicContact CD2-CG2 4.3Å |
| 246 | L | 89.9 | Confident | 83.3 | Confident | 111 Ų | 111 | 70.7 Ų | 70.7 | 58% | 0.581 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.3 | -45.5 | 176.7 | -71.2 | 173.8 | 0 | 0 | 0 | 111.1 | I242 S243 H248 S249 | I242-L246 HydrophobicContact CG2-CD1 3.83Å; I242-L246 HydrophobicContact CG2-CG 4.18Å; I242-L246 WeakPolarHBondContact O-CB 3.44Å; I242-L246 VanDerWaalsContact O-CG 3.27Å; I242-L246 WeakPolarHBondContact O-CG 3.43Å; I242-L246 PolarHBondContact O-N 2.88Å; S243-L246 PolarHBondContact O-N 3.26Å; L246-H248 VanDerWaalsContact C-N 3.3Å; L246-H248 PolarHBondContact O-N 3.2Å; L246-S249 PolarHBondContact O-N 3.35Å; L246-S249 PolarHBondContact O-OG 3.48Å |
| 247 | C | 88.1 | Confident | 82 | Confident | 96 Ų | 96 | 67.6 Ų | 67.6 | 65% | 0.649 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.5 | -39 | 177.5 | -169.7 | 0 | 0 | 0 | 0 | 112.2 | S243 Y244 | S243-C247 WeakPolarHBondContact O-CB 3.21Å; S243-C247 PolarHBondContact O-N 3.42Å; Y244-C247 PolarHBondContact O-N 3.32Å |
| 248 | H | 85 | Confident | 80.7 | Confident | 50 Ų | 50 | 71.8 Ų | 71.8 | 23% | 0.231 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -92 | -4.7 | -178.7 | -78 | -68.4 | 0 | 0 | 0 | 115.5 | W116 T120 Y244 L245 L246 N250 V251 | W116-H248 AromaticContact CD1-CE1 3.92Å; W116-H248 AromaticContact CD1-ND1 3.83Å; W116-H248 AromaticContact NE1-CE1 3.78Å; W116-H248 AromaticContact NE1-CG 3.75Å; W116-H248 AromaticContact NE1-ND1 3.23Å; W116-H248 PolarHBondContact NE1-ND1 3.46Å; T120-H248 HydrophobicContact CG2-CB 4.08Å; Y244-H248 AromaticContact CD2-CD2 3.89Å; Y244-H248 AromaticContact CE1-CD2 3.66Å; Y244-H248 AromaticContact CE2-CD2 3.44Å; Y244-H248 VanDerWaalsContact CE2-CD2 3.44Å; Y244-H248 WeakPolarHBondContact CE2-CD2 3.46Å; Y244-H248 AromaticContact CE2-NE2 3.43Å; Y244-H248 WeakPolarHBondContact CE2-NE2 3.4Å; Y244-H248 AromaticContact CZ-CD2 3.3Å; Y244-H248 AromaticContact CZ-NE2 3.48Å; Y244-H248 PolarHBondContact O-CD2 3.05Å; Y244-H248 PolarHBondContact O-N 2.91Å; Y244-H248 PolarHBondContact OH-NE2 3.48Å; L245-H248 PolarHBondContact O-N 2.95Å; L246-H248 VanDerWaalsContact C-N 3.3Å; L246-H248 PolarHBondContact O-N 3.2Å; H248-N250 PolarHBondContact O-N 3.31Å; H248-V251 PolarHBondContact O-N 2.76Å |
| 249 | S | 73.8 | Confident | 79.5 | Confident | 40 Ų | 40 | 70 Ų | 70 | 28% | 0.28 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -28.4 | -179.7 | 65.2 | 0 | 0 | 0 | 0 | 113.6 | L245 L246 | L245-S249 WeakPolarHBondContact O-CB 3.24Å; L245-S249 PolarHBondContact O-N 3.37Å; L246-S249 PolarHBondContact O-N 3.35Å; L246-S249 PolarHBondContact O-OG 3.48Å |
| 250 | N | 67.6 | Low | 78.6 | Confident | 139 Ų | 139 | 64.9 Ų | 64.9 | 74% | 0.743 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 8.7 | -174.4 | -69.4 | -27.2 | 0 | 0 | 0 | 114.2 | H248 N252 | H248-N250 PolarHBondContact O-N 3.31Å; N250-N252 PolarHBondContact O-N 2.98Å |
| 251 | V | 70 | Confident | 77.8 | Confident | 65 Ų | 65 | 60.5 Ų | 60.5 | 39% | 0.394 | 35% | 0.347 | S | S | . | . | trans | -73.3 | 117.5 | 179.2 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | H248 V253 | H248-V251 PolarHBondContact O-N 2.76Å; V251-V253 VanDerWaalsContact C-N 3.29Å; V251-V253 HydrophobicContact CB-CG2 4.38Å; V251-V253 HydrophobicContact CG1-CG2 3.91Å; V251-V253 PolarHBondContact O-N 3.39Å | ||
| 252 | N | 63.6 | Low | 77.3 | Confident | 170 Ų | 170 | 61 Ų | 61 | 91% | 0.909 | 35% | 0.349 | S | S | * | . | trans | -69.6 | 83 | 172.3 | -82.4 | -13.9 | 0 | 0 | 0 | 110.5 | N250 | N250-N252 PolarHBondContact O-N 2.98Š| ||
| 253 | V | 67.5 | Low | 76.7 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 16% | 0.158 | 34% | 0.341 | C | S | . | . | trans | -80.6 | 145 | 172.2 | -164.5 | 0 | 0 | 0 | 0 | 109.4 | L113 W116 V251 L257 I261 | L113-V253 HydrophobicContact CD2-CG1 3.95Å; W116-V253 HydrophobicContact CH2-CG2 3.95Å; W116-V253 HydrophobicContact CZ2-CG2 4.15Å; W116-V253 HydrophobicContact CZ3-CG2 4.47Å; V251-V253 VanDerWaalsContact C-N 3.29Å; V251-V253 HydrophobicContact CB-CG2 4.38Å; V251-V253 HydrophobicContact CG1-CG2 3.91Å; V251-V253 PolarHBondContact O-N 3.39Å; V253-L257 HydrophobicContact CB-CB 4.44Å; V253-L257 HydrophobicContact CG1-CB 3.54Å; V253-L257 HydrophobicContact CG1-CD1 4.17Å; V253-L257 HydrophobicContact CG1-CD2 4.2Å; V253-L257 HydrophobicContact CG1-CG 4.19Å; V253-I261 HydrophobicContact CB-CD1 3.97Å; V253-I261 HydrophobicContact CG2-CD1 3.95Å; V253-I261 HydrophobicContact CG2-CG1 4.49Å | ||
| 254 | S | 64.9 | Low | 76.1 | Confident | 63 Ų | 63 | 60.2 Ų | 60.2 | 44% | 0.441 | 35% | 0.346 | S | S | . | . | trans | -47.8 | 143.1 | 177.8 | -43.4 | 0 | 0 | 0 | 0 | 112.2 | K109 D256 L257 | K109-S254 PolarHBondContact NZ-OG 2.85Å; S254-D256 PolarHBondContact O-N 2.89Å; S254-L257 PolarHBondContact O-N 3.17Å | ||
| 255 | G | 64.3 | Low | 75.6 | Confident | 62 Ų | 62 | 59.2 Ų | 59.2 | 64% | 0.639 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -48.5 | -34.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L257 R258 | G255-L257 VanDerWaalsContact C-N 3.28Å; G255-L257 PolarHBondContact O-N 3.4Å; G255-R258 WeakPolarHBondContact O-CB 3.38Å; G255-R258 PolarHBondContact O-N 3.43Å |
| 256 | D | 63.2 | Low | 75.3 | Confident | 58 Ų | 58 | 57.6 Ų | 57.6 | 31% | 0.31 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -63.4 | -30.3 | 179.2 | -54.4 | -23.4 | 0 | 0 | 0 | 113.1 | S254 C329 K332 | S254-D256 PolarHBondContact O-N 2.89Å; D256-C329 PolarHBondContact O-SG 3.38Å; D256-K332 IonicContact OD2-NZ 3.88Å |
| 257 | L | 69.2 | Low | 75.3 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -93.1 | -9 | 177.9 | -80.7 | 106.8 | 0 | 0 | 0 | 113.8 | M103 K109 L113 V253 S254 G255 S259 L260 I261 | M103-L257 HydrophobicContact CE-CD2 3.48Å; M103-L257 VanDerWaalsContact CE-CD2 3.48Å; M103-L257 HydrophobicContact CE-CG 4.08Å; M103-L257 HydrophobicContact SD-CD2 3.82Å; K109-L257 HydrophobicContact CD-CD1 3.4Å; L113-L257 HydrophobicContact CB-CD2 4.37Å; L113-L257 HydrophobicContact CD2-CD2 3.87Å; V253-L257 HydrophobicContact CB-CB 4.44Å; V253-L257 HydrophobicContact CG1-CB 3.54Å; V253-L257 HydrophobicContact CG1-CD1 4.17Å; V253-L257 HydrophobicContact CG1-CD2 4.2Å; V253-L257 HydrophobicContact CG1-CG 4.19Å; S254-L257 PolarHBondContact O-N 3.17Å; G255-L257 VanDerWaalsContact C-N 3.28Å; G255-L257 PolarHBondContact O-N 3.4Å; L257-S259 PolarHBondContact O-N 2.98Å; L257-L260 PolarHBondContact O-N 3.24Å; L257-I261 PolarHBondContact O-N 2.87Å |
| 258 | R | 69.9 | Low | 75.2 | Confident | 103 Ų | 103 | 57.7 Ų | 57.7 | 39% | 0.389 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -55.2 | -29.8 | -179.5 | -171.1 | 174.4 | 173.7 | 179.5 | -1.1 | 111.8 | G255 L260 I261 D478 | G255-R258 WeakPolarHBondContact O-CB 3.38Å; G255-R258 PolarHBondContact O-N 3.43Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 2.93Å; R258-I261 HydrophobicContact CB-CD1 4.47Å; R258-I261 HydrophobicContact CG-CD1 4.42Å; R258-I261 PolarHBondContact O-N 3.45Å; R258-D478 IonicContact CZ-OD1 3.62Å; R258-D478 IonicContact NH1-OD1 3.31Å; R258-D478 PolarHBondContact NH1-OD1 3.13Å; R258-D478 PolarHBondContact NH2-O 2.83Å; R258-D478 IonicContact NH2-OD1 3.91Å; R258-D478 PolarHBondContact NH2-OD1 3.02Å |
| 259 | S | 71.9 | Confident | 75.3 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -69 | -20.6 | 177.1 | 67.7 | 0 | 0 | 0 | 0 | 114.9 | L257 H325 S482 L483 A484 | L257-S259 PolarHBondContact O-N 2.98Å; S259-H325 PolarHBondContact O-CE1 3.01Å; S259-H325 PolarHBondContact OG-CE1 2.88Å; S259-H325 PolarHBondContact OG-ND1 3.21Å; S259-H325 VanDerWaalsContact OG-ND1 3.1Å; S259-S482 PolarHBondContact O-OG 3.33Å; S259-L483 PolarHBondContact O-N 3.44Å; S259-A484 PolarHBondContact O-N 3.14Å |
| 260 | L | 77.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -95 | -14.3 | 178.3 | -72.9 | 163.9 | 0 | 0 | 0 | 112.4 | R99 T102 M103 F106 L117 L257 R258 | R99-L260 PolarHBondContact NH1-O 2.88Å; R99-L260 PolarHBondContact NH2-O 3.48Å; T102-L260 HydrophobicContact CG2-CD2 3.99Å; M103-L260 HydrophobicContact CE-CD1 3.72Å; M103-L260 HydrophobicContact SD-CD1 4.34Å; F106-L260 HydrophobicContact CD2-CD1 4.3Å; F106-L260 HydrophobicContact CE2-CD1 4.31Å; L117-L260 HydrophobicContact CD1-CB 4.16Å; L257-L260 PolarHBondContact O-N 3.24Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 2.93Å |
| 261 | I | 80 | Confident | 77.3 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | trans | -64.4 | 139.3 | -176.6 | -56.6 | -179 | 0 | 0 | 0 | 110.4 | W116 V253 L257 R258 T263 S482 | W116-I261 HydrophobicContact CH2-CG1 4.14Å; V253-I261 HydrophobicContact CB-CD1 3.97Å; V253-I261 HydrophobicContact CG2-CD1 3.95Å; V253-I261 HydrophobicContact CG2-CG1 4.49Å; L257-I261 PolarHBondContact O-N 2.87Å; R258-I261 HydrophobicContact CB-CD1 4.47Å; R258-I261 HydrophobicContact CG-CD1 4.42Å; R258-I261 PolarHBondContact O-N 3.45Å; I261-T263 HydrophobicContact CG2-CG2 4.24Å; I261-S482 WeakPolarHBondContact O-CB 3.39Å; I261-S482 PolarHBondContact O-OG 3.47Å | ||
| 262 | I | 84 | Confident | 78.4 | Confident | 16 Ų | 16 | 54.1 Ų | 54.1 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | trans | -87.6 | 117.9 | 171.6 | -59.5 | 178.6 | 0 | 0 | 0 | 107.5 | T120 T121 F124 L245 T266 | T120-I262 WeakPolarHBondContact O-CD1 3.34Å; T121-I262 VanDerWaalsContact CA-CD1 3.47Å; T121-I262 HydrophobicContact CG2-CD1 4.46Å; F124-I262 HydrophobicContact CB-CD1 3.55Å; F124-I262 HydrophobicContact CB-CG2 4.06Å; F124-I262 HydrophobicContact CD1-CD1 4.13Å; F124-I262 HydrophobicContact CD1-CG2 4.36Å; F124-I262 HydrophobicContact CD2-CG2 3.54Å; F124-I262 HydrophobicContact CE2-CG2 4.02Å; F124-I262 HydrophobicContact CG-CD1 3.94Å; F124-I262 HydrophobicContact CG-CG2 3.73Å; L245-I262 HydrophobicContact CD2-CG2 4.3Å; I262-T266 HydrophobicContact CG2-CG2 4.49Å | ||
| 263 | T | 81.6 | Confident | 79.9 | Confident | 37 Ų | 37 | 47 Ų | 47 | 23% | 0.227 | 26% | 0.263 | C | S | . | . | trans | -111.6 | 162 | 179.3 | 63.3 | 0 | 0 | 0 | 0 | 109.2 | I261 N265 T266 | I261-T263 HydrophobicContact CG2-CG2 4.24Å; T263-N265 PolarHBondContact O-N 3.38Å; T263-N265 VanDerWaalsContact O-N 3.14Å; T263-T266 PolarHBondContact N-OG1 3.47Å; T263-T266 WeakPolarHBondContact O-CA 3.29Å; T263-T266 WeakPolarHBondContact O-CB 3.31Å; T263-T266 PolarHBondContact O-N 3.41Å; T263-T266 PolarHBondContact O-OG1 2.88Å; T263-T266 PolarHBondContact OG1-N 3.38Å; T263-T266 PolarHBondContact OG1-OG1 3.34Å; T263-T266 VanDerWaalsContact OG1-OG1 3.09Å | ||
| 264 | P | 81.4 | Confident | 81.2 | Confident | 89 Ų | 89 | 45.9 Ų | 45.9 | 58% | 0.578 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -55.2 | -30.2 | 170.8 | -26.7 | 35.6 | 0 | 0 | 0 | 113 | T266 F267 K268 | P264-T266 VanDerWaalsContact C-N 3.31Å; P264-T266 PolarHBondContact O-N 3.31Å; P264-F267 WeakPolarHBondContact O-CB 3.44Å; P264-F267 PolarHBondContact O-N 3.01Å; P264-K268 PolarHBondContact O-N 3.08Å |
| 265 | N | 82.4 | Confident | 82.7 | Confident | 48 Ų | 48 | 44.8 Ų | 44.8 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.3 | -33.6 | 173.6 | -66.3 | -19.4 | 0 | 0 | 0 | 111.8 | T263 F267 K268 E269 | T263-N265 PolarHBondContact O-N 3.38Å; T263-N265 VanDerWaalsContact O-N 3.14Å; N265-F267 PolarHBondContact O-N 3.05Å; N265-K268 PolarHBondContact O-N 3Å; N265-K268 VanDerWaalsContact O-N 3.13Å; N265-E269 WeakPolarHBondContact O-CG 3.28Å; N265-E269 PolarHBondContact O-N 3.46Å |
| 266 | T | 86.4 | Confident | 84.2 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.9 | -37.8 | 174.2 | -50.9 | 0 | 0 | 0 | 0 | 111.5 | F124 I262 T263 P264 T270 A484 | F124-T266 HydrophobicContact CE1-CG2 4.2Å; F124-T266 HydrophobicContact CZ-CG2 3.93Å; I262-T266 HydrophobicContact CG2-CG2 4.49Å; T263-T266 PolarHBondContact N-OG1 3.47Å; T263-T266 WeakPolarHBondContact O-CA 3.29Å; T263-T266 WeakPolarHBondContact O-CB 3.31Å; T263-T266 PolarHBondContact O-N 3.41Å; T263-T266 PolarHBondContact O-OG1 2.88Å; T263-T266 PolarHBondContact OG1-N 3.38Å; T263-T266 PolarHBondContact OG1-OG1 3.34Å; T263-T266 VanDerWaalsContact OG1-OG1 3.09Å; P264-T266 VanDerWaalsContact C-N 3.31Å; P264-T266 PolarHBondContact O-N 3.31Å; T266-T270 VanDerWaalsContact O-CB 3.27Å; T266-T270 WeakPolarHBondContact O-CB 3.44Å; T266-T270 PolarHBondContact O-N 3.23Å; T266-T270 VanDerWaalsContact O-N 3.07Å; T266-T270 PolarHBondContact O-OG1 3.35Å; T266-A484 HydrophobicContact CG2-CB 4.31Å |
| 267 | F | 88.3 | Confident | 85.7 | Confident | 65 Ų | 65 | 43 Ų | 43 | 29% | 0.285 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.6 | -48 | 175.5 | -174.4 | -97.7 | 0 | 0 | 0 | 111.8 | F124 V127 L128 P264 N265 E269 T270 I271 | F124-F267 HydrophobicContact CE2-CB 3.99Å; F124-F267 AromaticContact CE2-CD2 3.99Å; F124-F267 HydrophobicContact CE2-CD2 3.99Å; V127-F267 HydrophobicContact CG1-CE2 4.05Å; L128-F267 HydrophobicContact CD2-CD2 3.92Å; L128-F267 HydrophobicContact CD2-CE2 3.76Å; P264-F267 WeakPolarHBondContact O-CB 3.44Å; P264-F267 PolarHBondContact O-N 3.01Å; N265-F267 PolarHBondContact O-N 3.05Å; F267-E269 VanDerWaalsContact C-N 3.31Å; F267-E269 PolarHBondContact O-N 3.42Å; F267-T270 PolarHBondContact O-N 3.22Å; F267-T270 VanDerWaalsContact O-N 3.12Å; F267-I271 HydrophobicContact CE1-CD1 3.83Å; F267-I271 HydrophobicContact CZ-CD1 4.02Å; F267-I271 PolarHBondContact O-N 3.38Å |
| 268 | K | 87.3 | Confident | 87 | Confident | 144 Ų | 144 | 43 Ų | 43 | 63% | 0.626 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.6 | -39.9 | 179.1 | -67.7 | -178 | -180 | 176.3 | 0 | 112.6 | P264 N265 I271 | P264-K268 PolarHBondContact O-N 3.08Å; N265-K268 PolarHBondContact O-N 3Å; N265-K268 VanDerWaalsContact O-N 3.13Å; K268-I271 WeakPolarHBondContact O-CG2 3.46Å |
| 269 | E | 86.8 | Confident | 88.3 | Confident | 68 Ų | 68 | 41.3 Ų | 41.3 | 32% | 0.318 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -74.3 | -27.4 | 178.2 | -63.1 | -59.3 | 148.3 | 0 | 0 | 112.5 | N265 F267 P273 I481 | N265-E269 WeakPolarHBondContact O-CG 3.28Å; N265-E269 PolarHBondContact O-N 3.46Å; F267-E269 VanDerWaalsContact C-N 3.31Å; F267-E269 PolarHBondContact O-N 3.42Å; E269-P273 WeakPolarHBondContact O-CD 3.36Å; E269-P273 VanDerWaalsContact O-CG 3.28Å; E269-P273 WeakPolarHBondContact O-CG 3.39Å; E269-I481 HydrophobicContact CG-CG2 4.29Å |
| 270 | T | 90.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -87.2 | -30.1 | -176.3 | -56.8 | 0 | 0 | 0 | 0 | 112.9 | L128 T266 F267 V272 P273 L274 F488 | L128-T270 HydrophobicContact CD1-CG2 3.79Å; L128-T270 HydrophobicContact CD2-CG2 4.38Å; T266-T270 VanDerWaalsContact O-CB 3.27Å; T266-T270 WeakPolarHBondContact O-CB 3.44Å; T266-T270 PolarHBondContact O-N 3.23Å; T266-T270 VanDerWaalsContact O-N 3.07Å; T266-T270 PolarHBondContact O-OG1 3.35Å; F267-T270 PolarHBondContact O-N 3.22Å; F267-T270 VanDerWaalsContact O-N 3.12Å; T270-V272 PolarHBondContact O-N 2.82Å; T270-P273 WeakPolarHBondContact O-CD 3.03Å; T270-L274 VanDerWaalsContact O-CB 3.23Å; T270-L274 WeakPolarHBondContact O-CB 3.27Å; T270-L274 PolarHBondContact O-N 3.4Å; T270-F488 HydrophobicContact CG2-CB 3.7Å; T270-F488 HydrophobicContact CG2-CG 4.27Å |
| 271 | I | 92.6 | Very high | 90.3 | Very high | 43 Ų | 43 | 41.9 Ų | 41.9 | 22% | 0.221 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | -172.5 | -162.4 | 171.4 | 0 | 0 | 0 | 112.5 | F131 F267 K268 L274 T275 | F131-I271 HydrophobicContact CD1-CG1 4.46Å; F131-I271 HydrophobicContact CE1-CD1 4.09Å; F131-I271 HydrophobicContact CE1-CG1 3.58Å; F131-I271 HydrophobicContact CE2-CD1 3.78Å; F131-I271 HydrophobicContact CE2-CG1 4.21Å; F131-I271 HydrophobicContact CZ-CD1 3.48Å; F131-I271 VanDerWaalsContact CZ-CD1 3.48Å; F131-I271 HydrophobicContact CZ-CG1 3.42Å; F131-I271 VanDerWaalsContact CZ-CG1 3.42Å; F267-I271 HydrophobicContact CE1-CD1 3.83Å; F267-I271 HydrophobicContact CZ-CD1 4.02Å; F267-I271 PolarHBondContact O-N 3.38Å; K268-I271 WeakPolarHBondContact O-CG2 3.46Å; I271-L274 PolarHBondContact O-N 3.05Å; I271-T275 WeakPolarHBondContact O-CB 3.23Å; I271-T275 PolarHBondContact O-N 2.94Å; I271-T275 PolarHBondContact O-OG1 3.34Å |
| 272 | V | 93.9 | Very high | 91.1 | Very high | 106 Ų | 106 | 41 Ų | 41 | 64% | 0.642 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -66.7 | -51.2 | -178.8 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | T270 L274 T275 L276 | T270-V272 PolarHBondContact O-N 2.82Å; V272-L274 VanDerWaalsContact C-N 3.3Å; V272-L274 PolarHBondContact O-N 3.46Å; V272-T275 PolarHBondContact O-N 3.22Å; V272-L276 WeakPolarHBondContact O-CB 3.27Å; V272-L276 PolarHBondContact O-N 2.92Å |
| 273 | P | 93.9 | Very high | 91.6 | Very high | 20 Ų | 20 | 43 Ų | 43 | 13% | 0.13 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.8 | -42.2 | 171.3 | -30.9 | 37.9 | 0 | 0 | 0 | 114 | E269 T270 L276 A277 S489 V493 | E269-P273 WeakPolarHBondContact O-CD 3.36Å; E269-P273 VanDerWaalsContact O-CG 3.28Å; E269-P273 WeakPolarHBondContact O-CG 3.39Å; T270-P273 WeakPolarHBondContact O-CD 3.03Å; P273-L276 PolarHBondContact O-N 2.92Å; P273-A277 WeakPolarHBondContact O-CB 3.33Å; P273-A277 PolarHBondContact O-N 3.1Å; P273-S489 WeakPolarHBondContact CG-OG 3.37Å; P273-V493 HydrophobicContact CB-CG2 3.73Å |
| 274 | L | 95.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.6 | -45.3 | -179.7 | -178.2 | 62.3 | 0 | 0 | 0 | 111.9 | L88 L128 F131 A132 T270 I271 V272 L276 A277 I278 | L88-L274 HydrophobicContact CD1-CD1 3.77Å; L128-L274 HydrophobicContact CB-CD2 3.94Å; L128-L274 HydrophobicContact CD1-CD2 4.4Å; L128-L274 HydrophobicContact CD2-CD2 3.89Å; L128-L274 HydrophobicContact CG-CD2 4.3Å; F131-L274 HydrophobicContact CD1-CD2 4.32Å; A132-L274 HydrophobicContact CB-CD2 4.39Å; T270-L274 VanDerWaalsContact O-CB 3.23Å; T270-L274 WeakPolarHBondContact O-CB 3.27Å; T270-L274 PolarHBondContact O-N 3.4Å; I271-L274 PolarHBondContact O-N 3.05Å; V272-L274 VanDerWaalsContact C-N 3.3Å; V272-L274 PolarHBondContact O-N 3.46Å; L274-L276 VanDerWaalsContact C-N 3.3Å; L274-L276 PolarHBondContact O-N 3.34Å; L274-A277 WeakPolarHBondContact O-CB 3.37Å; L274-A277 PolarHBondContact O-N 3.44Å; L274-I278 HydrophobicContact CG-CD1 4.2Å; L274-I278 WeakPolarHBondContact O-CG1 3.44Å; L274-I278 PolarHBondContact O-N 3.46Å |
| 275 | T | 95.6 | Very high | 92.8 | Very high | 40 Ų | 40 | 37 Ų | 37 | 25% | 0.245 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -40.7 | 175.5 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | I271 V272 A277 I278 I279 | I271-T275 WeakPolarHBondContact O-CB 3.23Å; I271-T275 PolarHBondContact O-N 2.94Å; I271-T275 PolarHBondContact O-OG1 3.34Å; V272-T275 PolarHBondContact O-N 3.22Å; T275-A277 VanDerWaalsContact C-N 3.33Å; T275-A277 PolarHBondContact O-N 3.38Å; T275-I278 PolarHBondContact O-N 2.91Å; T275-I279 HydrophobicContact CG2-CD1 4.07Å; T275-I279 VanDerWaalsContact O-CG1 3.32Å; T275-I279 WeakPolarHBondContact O-CG1 3.46Å; T275-I279 PolarHBondContact O-N 3.18Å |
| 276 | L | 95.9 | Very high | 93.2 | Very high | 83 Ų | 83 | 35.1 Ų | 35.1 | 44% | 0.435 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61 | -43.1 | 174.3 | -177.9 | 61.8 | 0 | 0 | 0 | 111.5 | V272 P273 L274 I279 M280 V493 | V272-L276 WeakPolarHBondContact O-CB 3.27Å; V272-L276 PolarHBondContact O-N 2.92Å; P273-L276 PolarHBondContact O-N 2.92Å; L274-L276 VanDerWaalsContact C-N 3.3Å; L274-L276 PolarHBondContact O-N 3.34Å; L276-I279 PolarHBondContact O-N 3.29Å; L276-M280 HydrophobicContact CG-CE 4.07Å; L276-M280 WeakPolarHBondContact O-CG 3.43Å; L276-M280 PolarHBondContact O-N 3.37Å; L276-V493 HydrophobicContact CD2-CG1 4.3Å; L276-V493 HydrophobicContact CD2-CG2 4.38Å |
| 277 | A | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P273 L274 T275 I279 M280 S281 A492 | P273-A277 WeakPolarHBondContact O-CB 3.33Å; P273-A277 PolarHBondContact O-N 3.1Å; L274-A277 WeakPolarHBondContact O-CB 3.37Å; L274-A277 PolarHBondContact O-N 3.44Å; T275-A277 VanDerWaalsContact C-N 3.33Å; T275-A277 PolarHBondContact O-N 3.38Å; A277-I279 VanDerWaalsContact C-N 3.32Å; A277-I279 PolarHBondContact O-N 3.44Å; A277-M280 PolarHBondContact O-N 3.48Å; A277-S281 PolarHBondContact O-N 2.74Å; A277-S281 PolarHBondContact O-OG 3.27Å; A277-A492 HydrophobicContact CB-CB 4.11Å; A277-A492 WeakPolarHBondContact CB-O 3.29Å |
| 278 | I | 96.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.3 | -47.4 | 176.6 | -69.4 | 163.6 | 0 | 0 | 0 | 110.7 | A132 I135 I136 V139 L274 T275 M280 S281 S282 | A132-I278 HydrophobicContact CB-CD1 3.45Å; A132-I278 VanDerWaalsContact CB-CD1 3.45Å; A132-I278 HydrophobicContact CB-CG1 4.28Å; I135-I278 HydrophobicContact CG2-CG2 4.21Å; I136-I278 HydrophobicContact CG1-CG1 4.28Å; I136-I278 HydrophobicContact CG1-CG2 3.61Å; V139-I278 HydrophobicContact CG2-CG2 4.42Å; L274-I278 HydrophobicContact CG-CD1 4.2Å; L274-I278 WeakPolarHBondContact O-CG1 3.44Å; L274-I278 PolarHBondContact O-N 3.46Å; T275-I278 PolarHBondContact O-N 2.91Å; I278-M280 PolarHBondContact O-N 3.41Å; I278-S281 PolarHBondContact O-N 2.99Å; I278-S282 VanDerWaalsContact O-CB 3.31Å; I278-S282 WeakPolarHBondContact O-CB 3.28Å; I278-S282 PolarHBondContact O-N 3.29Å; I278-S282 PolarHBondContact O-OG 2.95Å; I278-S282 VanDerWaalsContact O-OG 3.05Å |
| 279 | I | 96.8 | Very high | 93.7 | Very high | 67 Ų | 67 | 28.1 Ų | 28.1 | 34% | 0.344 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 179.4 | -67.1 | 164.9 | 0 | 0 | 0 | 110.7 | V139 T275 L276 A277 S282 I283 | V139-I279 HydrophobicContact CG1-CG1 4.48Å; T275-I279 HydrophobicContact CG2-CD1 4.07Å; T275-I279 VanDerWaalsContact O-CG1 3.32Å; T275-I279 WeakPolarHBondContact O-CG1 3.46Å; T275-I279 PolarHBondContact O-N 3.18Å; L276-I279 PolarHBondContact O-N 3.29Å; A277-I279 VanDerWaalsContact C-N 3.32Å; A277-I279 PolarHBondContact O-N 3.44Å; I279-S282 PolarHBondContact O-N 3.44Å; I279-I283 HydrophobicContact CG2-CD1 3.89Å; I279-I283 VanDerWaalsContact O-CG1 3.25Å; I279-I283 WeakPolarHBondContact O-CG1 3.23Å; I279-I283 PolarHBondContact O-N 2.64Å |
| 280 | M | 96.3 | Very high | 93.7 | Very high | 26 Ų | 26 | 31.4 Ų | 31.4 | 13% | 0.128 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 178.8 | -68.6 | -176.6 | -63.7 | 0 | 0 | 112.2 | L276 A277 I278 I283 C284 V493 G496 A497 L500 | L276-M280 HydrophobicContact CG-CE 4.07Å; L276-M280 WeakPolarHBondContact O-CG 3.43Å; L276-M280 PolarHBondContact O-N 3.37Å; A277-M280 PolarHBondContact O-N 3.48Å; I278-M280 PolarHBondContact O-N 3.41Å; M280-I283 PolarHBondContact O-N 2.95Å; M280-C284 PolarHBondContact O-N 3.2Å; M280-V493 HydrophobicContact CE-CG1 4.36Å; M280-V493 WeakPolarHBondContact CE-O 3.33Å; M280-G496 WeakPolarHBondContact CB-O 3.2Å; M280-A497 HydrophobicContact CE-CB 4.28Å; M280-A497 HydrophobicContact SD-CB 4.05Å; M280-L500 HydrophobicContact CB-CB 4.31Å; M280-L500 HydrophobicContact CB-CD2 4.34Å; M280-L500 HydrophobicContact CG-CD2 4.29Å |
| 281 | S | 95.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.3 | -30.2 | 178.9 | -53.5 | 0 | 0 | 0 | 0 | 112.5 | A277 I278 C284 G285 D499 | A277-S281 PolarHBondContact O-N 2.74Å; A277-S281 PolarHBondContact O-OG 3.27Å; I278-S281 PolarHBondContact O-N 2.99Å; S281-C284 VanDerWaalsContact O-CB 3.31Å; S281-C284 WeakPolarHBondContact O-CB 3.25Å; S281-C284 PolarHBondContact O-N 3.11Å; S281-G285 PolarHBondContact O-N 2.99Å; S281-D499 WeakPolarHBondContact CB-OD2 3.49Å; S281-D499 PolarHBondContact OG-OD2 3.47Å |
| 282 | S | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.9 | -38 | 172.5 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | V139 I278 I279 C284 G285 N286 | V139-S282 VanDerWaalsContact CG1-CB 3.49Å; I278-S282 VanDerWaalsContact O-CB 3.31Å; I278-S282 WeakPolarHBondContact O-CB 3.28Å; I278-S282 PolarHBondContact O-N 3.29Å; I278-S282 PolarHBondContact O-OG 2.95Å; I278-S282 VanDerWaalsContact O-OG 3.05Å; I279-S282 PolarHBondContact O-N 3.44Å; S282-C284 VanDerWaalsContact C-N 3.32Å; S282-G285 PolarHBondContact O-N 2.91Å; S282-N286 PolarHBondContact O-N 2.94Å |
| 283 | I | 95.3 | Very high | 92.6 | Very high | 57 Ų | 57 | 34.5 Ų | 34.5 | 29% | 0.292 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 171 | -66.5 | 164.4 | 0 | 0 | 0 | 109.7 | L143 I279 M280 G285 N286 I287 L500 | L143-I283 HydrophobicContact CD1-CG1 3.9Å; L143-I283 HydrophobicContact CD2-CG1 4.16Å; I279-I283 HydrophobicContact CG2-CD1 3.89Å; I279-I283 VanDerWaalsContact O-CG1 3.25Å; I279-I283 WeakPolarHBondContact O-CG1 3.23Å; I279-I283 PolarHBondContact O-N 2.64Å; M280-I283 PolarHBondContact O-N 2.95Å; I283-G285 VanDerWaalsContact C-N 3.34Å; I283-G285 PolarHBondContact O-N 3.37Å; I283-N286 PolarHBondContact O-N 2.86Å; I283-I287 HydrophobicContact CG2-CD1 3.72Å; I283-I287 HydrophobicContact CG2-CG1 4.27Å; I283-I287 VanDerWaalsContact O-CG1 3.29Å; I283-I287 WeakPolarHBondContact O-CG1 3.36Å; I283-I287 PolarHBondContact O-N 3.39Å; I283-L500 HydrophobicContact CB-CD1 4.15Å; I283-L500 HydrophobicContact CG2-CD1 3.63Å |
| 284 | C | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.1 | -47.4 | 172.8 | 169.4 | 0 | 0 | 0 | 0 | 112 | M280 S281 S282 I287 S288 Q302 D499 T503 | M280-C284 PolarHBondContact O-N 3.2Å; S281-C284 VanDerWaalsContact O-CB 3.31Å; S281-C284 WeakPolarHBondContact O-CB 3.25Å; S281-C284 PolarHBondContact O-N 3.11Å; S282-C284 VanDerWaalsContact C-N 3.32Å; C284-I287 PolarHBondContact O-N 2.94Å; C284-S288 WeakPolarHBondContact O-CB 3.32Å; C284-S288 PolarHBondContact O-N 3.11Å; C284-S288 PolarHBondContact O-OG 3.2Å; C284-Q302 PolarHBondContact SG-NE2 3.25Å; C284-Q302 VanDerWaalsContact SG-NE2 3.41Å; C284-D499 HydrophobicContact CB-CB 4.29Å; C284-D499 PolarHBondContact SG-O 3.1Å; C284-T503 VanDerWaalsContact SG-CB 3.53Å; C284-T503 PolarHBondContact SG-OG1 2.91Å |
| 285 | G | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S281 S282 I283 S288 A289 | S281-G285 PolarHBondContact O-N 2.99Å; S282-G285 PolarHBondContact O-N 2.91Å; I283-G285 VanDerWaalsContact C-N 3.34Å; I283-G285 PolarHBondContact O-N 3.37Å; G285-S288 PolarHBondContact O-N 3.19Å; G285-A289 PolarHBondContact O-N 3.3Å |
| 286 | N | 92.2 | Very high | 91.2 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.053 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 178.3 | -175.1 | -102.6 | 0 | 0 | 0 | 112.5 | E80 L143 S147 S282 I283 S288 A289 R290 | E80-N286 PolarHBondContact OE2-ND2 3.47Å; L143-N286 HydrophobicContact CB-CB 4.35Å; S147-N286 PolarHBondContact OG-OD1 3.05Å; S282-N286 PolarHBondContact O-N 2.94Å; I283-N286 PolarHBondContact O-N 2.86Å; N286-S288 VanDerWaalsContact C-N 3.33Å; N286-S288 PolarHBondContact O-N 3.25Å; N286-A289 PolarHBondContact O-N 2.82Å; N286-R290 WeakPolarHBondContact O-CG 3.16Å; N286-R290 PolarHBondContact O-N 3.33Å; N286-R290 PolarHBondContact OD1-NE 2.96Å; N286-R290 PolarHBondContact OD1-NH2 3.05Å |
| 287 | I | 92.5 | Very high | 90.9 | Very high | 40 Ų | 40 | 38.4 Ų | 38.4 | 21% | 0.205 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.8 | -48.2 | 176 | -68.9 | 170.1 | 0 | 0 | 0 | 109.8 | I283 C284 A289 R290 F291 L500 I507 | I283-I287 HydrophobicContact CG2-CD1 3.72Å; I283-I287 HydrophobicContact CG2-CG1 4.27Å; I283-I287 VanDerWaalsContact O-CG1 3.29Å; I283-I287 WeakPolarHBondContact O-CG1 3.36Å; I283-I287 PolarHBondContact O-N 3.39Å; C284-I287 PolarHBondContact O-N 2.94Å; I287-A289 VanDerWaalsContact C-N 3.34Å; I287-A289 PolarHBondContact O-N 3.08Å; I287-R290 PolarHBondContact O-N 3.02Å; I287-F291 HydrophobicContact CG2-CD2 4.09Å; I287-F291 HydrophobicContact CG2-CE2 4.19Å; I287-F291 WeakPolarHBondContact O-CD2 3.26Å; I287-F291 PolarHBondContact O-N 2.8Å; I287-L500 HydrophobicContact CD1-CD1 4.1Å; I287-I507 HydrophobicContact CG2-CD1 3.6Å |
| 288 | S | 90.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | -177.2 | -55.5 | 0 | 0 | 0 | 0 | 112.4 | C284 G285 N286 R290 F291 L292 Q302 T503 | C284-S288 WeakPolarHBondContact O-CB 3.32Å; C284-S288 PolarHBondContact O-N 3.11Å; C284-S288 PolarHBondContact O-OG 3.2Å; G285-S288 PolarHBondContact O-N 3.19Å; N286-S288 VanDerWaalsContact C-N 3.33Å; N286-S288 PolarHBondContact O-N 3.25Å; S288-R290 VanDerWaalsContact C-N 3.31Å; S288-R290 PolarHBondContact O-N 3.27Å; S288-F291 PolarHBondContact O-N 3.4Å; S288-L292 WeakPolarHBondContact O-CB 3.42Å; S288-L292 PolarHBondContact O-N 3.24Å; S288-L292 VanDerWaalsContact O-N 3.1Å; S288-Q302 PolarHBondContact OG-NE2 3.28Å; S288-Q302 PolarHBondContact OG-OE1 3.41Å; S288-Q302 VanDerWaalsContact OG-OE1 3.07Å; S288-T503 WeakPolarHBondContact OG-CG2 3.31Å |
| 289 | A | 88.4 | Confident | 90 | Very high | 22 Ų | 22 | 38.3 Ų | 38.3 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.4 | -37.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F79 E80 G285 N286 I287 L292 | F79-A289 HydrophobicContact CD1-CB 4.17Å; E80-A289 HydrophobicContact CG-CB 3.33Å; G285-A289 PolarHBondContact O-N 3.3Å; N286-A289 PolarHBondContact O-N 2.82Å; I287-A289 VanDerWaalsContact C-N 3.34Å; I287-A289 PolarHBondContact O-N 3.08Å; A289-L292 WeakPolarHBondContact O-CB 3.35Å; A289-L292 PolarHBondContact O-N 3.44Å |
| 290 | R | 87.5 | Confident | 89.7 | Confident | 137 Ų | 137 | 36.2 Ų | 36.2 | 52% | 0.517 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 178.2 | -65 | -179.1 | -162.3 | -174.5 | 10.7 | 112.5 | S147 N286 I287 S288 L292 | S147-R290 PolarHBondContact OG-NH2 3.38Å; N286-R290 WeakPolarHBondContact O-CG 3.16Å; N286-R290 PolarHBondContact O-N 3.33Å; N286-R290 PolarHBondContact OD1-NE 2.96Å; N286-R290 PolarHBondContact OD1-NH2 3.05Å; I287-R290 PolarHBondContact O-N 3.02Å; S288-R290 VanDerWaalsContact C-N 3.31Å; S288-R290 PolarHBondContact O-N 3.27Å; R290-L292 VanDerWaalsContact C-N 3.28Å; R290-L292 PolarHBondContact O-N 3.41Å |
| 291 | F | 89.6 | Confident | 89.6 | Confident | 67 Ų | 67 | 35 Ų | 35 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -84.4 | -4.4 | -177.2 | -73.4 | -73.5 | 0 | 0 | 0 | 113.6 | I287 S288 I293 D294 W295 I298 I507 | I287-F291 HydrophobicContact CG2-CD2 4.09Å; I287-F291 HydrophobicContact CG2-CE2 4.19Å; I287-F291 WeakPolarHBondContact O-CD2 3.26Å; I287-F291 PolarHBondContact O-N 2.8Å; S288-F291 PolarHBondContact O-N 3.4Å; F291-I293 PolarHBondContact O-N 3.35Å; F291-D294 PolarHBondContact O-N 3.05Å; F291-W295 HydrophobicContact CB-CE3 4Å; F291-W295 HydrophobicContact CB-CZ3 4.21Å; F291-W295 AromaticContact CD1-CE3 3.93Å; F291-W295 HydrophobicContact CD1-CE3 3.93Å; F291-W295 HydrophobicContact CD1-CH2 4.24Å; F291-W295 AromaticContact CD1-CZ3 3.32Å; F291-W295 HydrophobicContact CD1-CZ3 3.32Å; F291-W295 AromaticContact CE1-CZ3 3.91Å; F291-W295 HydrophobicContact CE1-CZ3 3.91Å; F291-W295 HydrophobicContact CG-CE3 4.33Å; F291-W295 HydrophobicContact CG-CZ3 4.04Å; F291-W295 PolarHBondContact O-N 2.95Å; F291-I298 HydrophobicContact CB-CD1 3.55Å; F291-I507 HydrophobicContact CB-CD1 4.23Å; F291-I507 HydrophobicContact CB-CG2 4.4Å; F291-I507 HydrophobicContact CD1-CG2 3.99Å; F291-I507 HydrophobicContact CD2-CD1 3.87Å; F291-I507 HydrophobicContact CD2-CG2 3.6Å; F291-I507 HydrophobicContact CE1-CG2 4.07Å; F291-I507 HydrophobicContact CE2-CG2 3.71Å; F291-I507 HydrophobicContact CG-CD1 4.31Å; F291-I507 HydrophobicContact CG-CG2 3.73Å; F291-I507 HydrophobicContact CZ-CG2 3.93Å |
| 292 | L | 84.7 | Confident | 89.4 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -20.4 | -178.1 | -164.5 | 64.8 | 0 | 0 | 0 | 113.2 | K66 F79 S288 A289 R290 I298 A299 | K66-L292 HydrophobicContact CD-CD2 3.74Å; K66-L292 HydrophobicContact CD-CG 4.32Å; K66-L292 VanDerWaalsContact NZ-CD2 3.34Å; K66-L292 VanDerWaalsContact NZ-CG 3.27Å; F79-L292 HydrophobicContact CD1-CD2 3.87Å; F79-L292 HydrophobicContact CD2-CD2 4.23Å; F79-L292 HydrophobicContact CE1-CD2 4.05Å; F79-L292 HydrophobicContact CE2-CD2 4.41Å; F79-L292 HydrophobicContact CG-CD2 3.96Å; F79-L292 HydrophobicContact CZ-CD1 4.35Å; F79-L292 HydrophobicContact CZ-CD2 4.33Å; S288-L292 WeakPolarHBondContact O-CB 3.42Å; S288-L292 PolarHBondContact O-N 3.24Å; S288-L292 VanDerWaalsContact O-N 3.1Å; A289-L292 WeakPolarHBondContact O-CB 3.35Å; A289-L292 PolarHBondContact O-N 3.44Å; R290-L292 VanDerWaalsContact C-N 3.28Å; R290-L292 PolarHBondContact O-N 3.41Å; L292-I298 HydrophobicContact CD1-CB 4.11Å; L292-A299 HydrophobicContact CD1-CB 3.6Å |
| 293 | I | 80 | Confident | 89.4 | Confident | 140 Ų | 140 | 35.9 Ų | 35.9 | 72% | 0.718 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -48 | 173.7 | -61 | 172.3 | 0 | 0 | 0 | 109.8 | F291 | F291-I293 PolarHBondContact O-N 3.35Š|
| 294 | D | 84.6 | Confident | 89.3 | Confident | 90 Ų | 90 | 33.1 Ų | 33.1 | 48% | 0.481 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -39 | -179.8 | -67.8 | -50.1 | 0 | 0 | 0 | 112.3 | F291 | F291-D294 PolarHBondContact O-N 3.05Š|
| 295 | W | 86.5 | Confident | 89.3 | Confident | 37 Ų | 37 | 33.1 Ų | 33.1 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | trans | -133.2 | 86.4 | -175.3 | -58.4 | -60.3 | 0 | 0 | 0 | 111 | F291 I297 I298 I507 L510 S511 K514 | F291-W295 HydrophobicContact CB-CE3 4Å; F291-W295 HydrophobicContact CB-CZ3 4.21Å; F291-W295 AromaticContact CD1-CE3 3.93Å; F291-W295 HydrophobicContact CD1-CE3 3.93Å; F291-W295 HydrophobicContact CD1-CH2 4.24Å; F291-W295 AromaticContact CD1-CZ3 3.32Å; F291-W295 HydrophobicContact CD1-CZ3 3.32Å; F291-W295 AromaticContact CE1-CZ3 3.91Å; F291-W295 HydrophobicContact CE1-CZ3 3.91Å; F291-W295 HydrophobicContact CG-CE3 4.33Å; F291-W295 HydrophobicContact CG-CZ3 4.04Å; F291-W295 PolarHBondContact O-N 2.95Å; W295-I297 HydrophobicContact CB-CG2 4.18Å; W295-I297 PolarHBondContact O-N 3.43Å; W295-I298 HydrophobicContact CB-CD1 3.83Å; W295-I298 HydrophobicContact CB-CG1 3.95Å; W295-I298 HydrophobicContact CE3-CD1 3.95Å; W295-I298 WeakPolarHBondContact O-CB 3.46Å; W295-I298 WeakPolarHBondContact O-CG1 3.38Å; W295-I298 PolarHBondContact O-N 2.75Å; W295-I507 HydrophobicContact CZ3-CG2 4.09Å; W295-L510 HydrophobicContact CB-CD1 4.5Å; W295-L510 HydrophobicContact CD2-CB 4.41Å; W295-L510 HydrophobicContact CD2-CD1 4.42Å; W295-L510 HydrophobicContact CG-CD1 4.38Å; W295-L510 HydrophobicContact CZ2-CB 4.47Å; W295-S511 WeakPolarHBondContact CH2-OG 3.47Å; W295-K514 HydrophobicContact CZ2-CB 4.45Å; W295-K514 HydrophobicContact CZ2-CD 3.8Å | ||
| 296 | P | 84.3 | Confident | 89.3 | Confident | 70 Ų | 70 | 33.6 Ų | 33.6 | 46% | 0.455 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -24.6 | 176 | -26.6 | 35 | 0 | 0 | 0 | 113.5 | I298 A299 | P296-I298 PolarHBondContact O-N 3.41Å; P296-A299 PolarHBondContact O-N 3.47Å |
| 297 | I | 87.8 | Confident | 89.3 | Confident | 31 Ų | 31 | 33.9 Ų | 33.9 | 16% | 0.159 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -20.2 | 177.2 | -165.6 | 156.6 | 0 | 0 | 0 | 113.9 | W295 A299 R300 L301 I438 | W295-I297 HydrophobicContact CB-CG2 4.18Å; W295-I297 PolarHBondContact O-N 3.43Å; I297-A299 VanDerWaalsContact C-N 3.29Å; I297-A299 PolarHBondContact O-N 3.49Å; I297-R300 WeakPolarHBondContact O-CB 3.46Å; I297-R300 PolarHBondContact O-N 2.91Å; I297-L301 HydrophobicContact CD1-CD1 3.82Å; I297-L301 HydrophobicContact CD1-CG 4.41Å; I297-L301 HydrophobicContact CG1-CD1 3.74Å; I297-L301 HydrophobicContact CG1-CG 3.91Å; I297-L301 PolarHBondContact O-N 2.91Å; I297-I438 HydrophobicContact CD1-CB 4.46Å; I297-I438 HydrophobicContact CD1-CD1 3.75Å; I297-I438 HydrophobicContact CD1-CG1 4.24Å; I297-I438 HydrophobicContact CD1-CG2 3.52Å |
| 298 | I | 89 | Confident | 89.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.3 | -44 | 175.6 | -69.6 | 172.4 | 0 | 0 | 0 | 110.4 | F291 L292 W295 P296 R300 L301 Q302 F506 I507 L510 | F291-I298 HydrophobicContact CB-CD1 3.55Å; L292-I298 HydrophobicContact CD1-CB 4.11Å; W295-I298 HydrophobicContact CB-CD1 3.83Å; W295-I298 HydrophobicContact CB-CG1 3.95Å; W295-I298 HydrophobicContact CE3-CD1 3.95Å; W295-I298 WeakPolarHBondContact O-CB 3.46Å; W295-I298 WeakPolarHBondContact O-CG1 3.38Å; W295-I298 PolarHBondContact O-N 2.75Å; P296-I298 PolarHBondContact O-N 3.41Å; I298-R300 PolarHBondContact O-N 2.93Å; I298-L301 PolarHBondContact O-N 3.12Å; I298-Q302 HydrophobicContact CG2-CB 4.31Å; I298-Q302 WeakPolarHBondContact O-CB 3.48Å; I298-Q302 PolarHBondContact O-N 3.18Å; I298-F506 HydrophobicContact CG1-CE1 4.3Å; I298-I507 HydrophobicContact CD1-CD1 4.2Å; I298-I507 HydrophobicContact CD1-CG1 3.81Å; I298-L510 HydrophobicContact CG1-CD1 4.19Å |
| 299 | A | 86.1 | Confident | 89.5 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.4 | -32.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V62 D63 F79 L292 P296 I297 | V62-A299 HydrophobicContact CG1-CB 4.41Å; D63-A299 HydrophobicContact CB-CB 4.38Å; F79-A299 HydrophobicContact CD2-CB 4.46Å; F79-A299 HydrophobicContact CE2-CB 3.6Å; F79-A299 HydrophobicContact CZ-CB 4.02Å; L292-A299 HydrophobicContact CD1-CB 3.6Å; P296-A299 PolarHBondContact O-N 3.47Å; I297-A299 VanDerWaalsContact C-N 3.29Å; I297-A299 PolarHBondContact O-N 3.49Å |
| 300 | R | 90.6 | Very high | 89.6 | Confident | 23 Ų | 23 | 31.4 Ų | 31.4 | 9% | 0.087 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -85.4 | -48.8 | -177.8 | -170.1 | -172.6 | -50.1 | 159.9 | 12.9 | 113.3 | C60 D63 I297 I298 P304 S415 N419 | C60-R300 HydrophobicContact CB-CG 4.39Å; C60-R300 VanDerWaalsContact SG-CD 3.52Å; C60-R300 VanDerWaalsContact SG-CG 3.5Å; D63-R300 HydrophobicContact CB-CB 4.4Å; D63-R300 IonicContact OD2-CZ 3.54Å; D63-R300 IonicContact OD2-NE 3.6Å; D63-R300 PolarHBondContact OD2-NE 3.44Å; D63-R300 IonicContact OD2-NH2 3.33Å; D63-R300 PolarHBondContact OD2-NH2 3.15Å; I297-R300 WeakPolarHBondContact O-CB 3.46Å; I297-R300 PolarHBondContact O-N 2.91Å; I298-R300 PolarHBondContact O-N 2.93Å; R300-P304 WeakPolarHBondContact O-CD 3.32Å; R300-S415 WeakPolarHBondContact CD-OG 3.29Å; R300-S415 WeakPolarHBondContact CG-OG 3.18Å; R300-N419 VanDerWaalsContact CZ-CB 3.45Å; R300-N419 VanDerWaalsContact CZ-OD1 3.29Å; R300-N419 VanDerWaalsContact NH1-CG 3.32Å; R300-N419 PolarHBondContact NH1-ND2 3.11Å; R300-N419 PolarHBondContact NH2-ND2 3.02Å; R300-N419 PolarHBondContact NH2-OD1 2.95Å |
| 301 | L | 92.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -89.8 | -15.9 | -170.9 | -69.8 | -175.3 | 0 | 0 | 0 | 113.5 | I297 I298 V303 P304 I305 S415 I438 Y442 F506 | I297-L301 HydrophobicContact CD1-CD1 3.82Å; I297-L301 HydrophobicContact CD1-CG 4.41Å; I297-L301 HydrophobicContact CG1-CD1 3.74Å; I297-L301 HydrophobicContact CG1-CG 3.91Å; I297-L301 PolarHBondContact O-N 2.91Å; I298-L301 PolarHBondContact O-N 3.12Å; L301-V303 PolarHBondContact O-N 3.04Å; L301-P304 HydrophobicContact CD2-CG 4.44Å; L301-P304 VanDerWaalsContact O-CD 3.32Å; L301-P304 WeakPolarHBondContact O-CD 3.49Å; L301-P304 WeakPolarHBondContact O-CG 3.49Å; L301-I305 VanDerWaalsContact O-CG2 3.25Å; L301-I305 WeakPolarHBondContact O-CG2 3.3Å; L301-I305 PolarHBondContact O-N 3.44Å; L301-S415 WeakPolarHBondContact CD2-OG 3.44Å; L301-I438 HydrophobicContact CD1-CG2 3.82Å; L301-Y442 HydrophobicContact CB-CD2 3.95Å; L301-Y442 HydrophobicContact CB-CE2 3.84Å; L301-Y442 HydrophobicContact CD1-CD2 3.92Å; L301-Y442 HydrophobicContact CD1-CE2 4.38Å; L301-Y442 HydrophobicContact CD1-CG 4.28Å; L301-Y442 HydrophobicContact CD2-CD2 4.43Å; L301-Y442 HydrophobicContact CD2-CE2 4.09Å; L301-Y442 HydrophobicContact CG-CD2 4.33Å; L301-Y442 HydrophobicContact CG-CE2 4.32Å; L301-F506 HydrophobicContact CB-CE1 3.77Å; L301-F506 HydrophobicContact CB-CZ 3.82Å; L301-F506 HydrophobicContact CD1-CZ 3.89Å; L301-F506 HydrophobicContact CG-CZ 4.5Å |
| 302 | Q | 93.2 | Very high | 90 | Very high | 5 Ų | 5 | 22.1 Ų | 22.1 | 2% | 0.023 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.1 | -40.6 | 175.3 | -179.4 | -174.4 | -8 | 0 | 0 | 112.7 | C284 S288 I298 I305 N306 | C284-Q302 PolarHBondContact SG-NE2 3.25Å; C284-Q302 VanDerWaalsContact SG-NE2 3.41Å; S288-Q302 PolarHBondContact OG-NE2 3.28Å; S288-Q302 PolarHBondContact OG-OE1 3.41Å; S288-Q302 VanDerWaalsContact OG-OE1 3.07Å; I298-Q302 HydrophobicContact CG2-CB 4.31Å; I298-Q302 WeakPolarHBondContact O-CB 3.48Å; I298-Q302 PolarHBondContact O-N 3.18Å; Q302-I305 VanDerWaalsContact O-CG2 3.23Å; Q302-I305 WeakPolarHBondContact O-CG2 3.27Å; Q302-N306 WeakPolarHBondContact O-CB 3.49Å; Q302-N306 VanDerWaalsContact O-CG 3.27Å; Q302-N306 PolarHBondContact O-N 3.5Å; Q302-N306 VanDerWaalsContact O-N 3.12Å |
| 303 | V | 93.9 | Very high | 90.4 | Very high | 13 Ų | 13 | 21.7 Ų | 21.7 | 8% | 0.079 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.8 | -55 | -179.6 | -176.2 | 0 | 0 | 0 | 0 | 111.4 | M55 A58 L86 D205 L301 I305 G307 | M55-V303 HydrophobicContact CB-CG1 4.17Å; M55-V303 WeakPolarHBondContact O-CG1 3.46Å; A58-V303 HydrophobicContact CB-CG1 4.28Å; L86-V303 HydrophobicContact CD1-CG1 4.15Å; L86-V303 HydrophobicContact CD1-CG2 4.01Å; D205-V303 HydrophobicContact CB-CG1 4.39Å; L301-V303 PolarHBondContact O-N 3.04Å; V303-I305 PolarHBondContact O-N 3.35Å; V303-G307 PolarHBondContact O-N 3.05Å |
| 304 | P | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68.1 | -32.5 | 179.6 | 26.6 | -35.9 | 0 | 0 | 0 | 114.2 | M55 V56 R300 L301 V308 | M55-P304 HydrophobicContact CB-CB 4.23Å; V56-P304 HydrophobicContact CG2-CB 3.85Å; V56-P304 HydrophobicContact CG2-CG 3.93Å; R300-P304 WeakPolarHBondContact O-CD 3.32Å; L301-P304 HydrophobicContact CD2-CG 4.44Å; L301-P304 VanDerWaalsContact O-CD 3.32Å; L301-P304 WeakPolarHBondContact O-CD 3.49Å; L301-P304 WeakPolarHBondContact O-CG 3.49Å; P304-V308 VanDerWaalsContact O-CB 3.26Å; P304-V308 WeakPolarHBondContact O-CB 3.46Å; P304-V308 WeakPolarHBondContact O-CG2 3.45Å; P304-V308 PolarHBondContact O-N 3.46Å |
| 305 | I | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.3 | -46.4 | 177.4 | -169.6 | 154.6 | 0 | 0 | 0 | 111.7 | L301 Q302 V303 G309 Y442 A445 Q449 F506 | L301-I305 VanDerWaalsContact O-CG2 3.25Å; L301-I305 WeakPolarHBondContact O-CG2 3.3Å; L301-I305 PolarHBondContact O-N 3.44Å; Q302-I305 VanDerWaalsContact O-CG2 3.23Å; Q302-I305 WeakPolarHBondContact O-CG2 3.27Å; V303-I305 PolarHBondContact O-N 3.35Å; I305-G309 PolarHBondContact O-N 3.02Å; I305-Y442 HydrophobicContact CB-CE2 3.83Å; I305-Y442 HydrophobicContact CD1-CD2 4.2Å; I305-Y442 HydrophobicContact CD1-CE2 4.27Å; I305-A445 HydrophobicContact CD1-CB 3.72Å; I305-Q449 PolarHBondContact O-NE2 3.39Å; I305-Q449 VanDerWaalsContact O-NE2 3.15Å; I305-Q449 PolarHBondContact O-OE1 3.42Å; I305-Q449 VanDerWaalsContact O-OE1 3.08Å; I305-F506 HydrophobicContact CD1-CB 3.92Å; I305-F506 HydrophobicContact CD1-CG 4.23Å |
| 306 | N | 93.4 | Very high | 91.5 | Very high | 10 Ų | 10 | 9.2 Ų | 9.2 | 5% | 0.053 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67.4 | -48.6 | 178.5 | -69.4 | -6.8 | 0 | 0 | 0 | 110.5 | Q302 G309 G310 D499 T503 | Q302-N306 WeakPolarHBondContact O-CB 3.49Å; Q302-N306 VanDerWaalsContact O-CG 3.27Å; Q302-N306 PolarHBondContact O-N 3.5Å; Q302-N306 VanDerWaalsContact O-N 3.12Å; N306-G309 PolarHBondContact O-N 2.92Å; N306-G310 PolarHBondContact O-N 2.84Å; N306-D499 PolarHBondContact OD1-O 2.84Å; N306-T503 PolarHBondContact ND2-OG1 3.44Å; N306-T503 PolarHBondContact OD1-N 3.25Å; N306-T503 PolarHBondContact OD1-OG1 2.94Å |
| 307 | G | 92.1 | Very high | 91.8 | Very high | 15 Ų | 15 | 5.9 Ų | 5.9 | 16% | 0.155 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65.7 | -43.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | M55 V303 G309 G310 I311 | M55-G307 VanDerWaalsContact SD-C 3.57Å; M55-G307 WeakPolarHBondContact SD-CA 3.21Å; V303-G307 PolarHBondContact O-N 3.05Å; G307-G309 VanDerWaalsContact C-N 3.35Å; G307-G309 PolarHBondContact O-N 3.27Å; G307-G310 PolarHBondContact O-N 3.47Å; G307-I311 WeakPolarHBondContact O-CB 3.4Å; G307-I311 WeakPolarHBondContact O-CD1 3.3Å; G307-I311 WeakPolarHBondContact O-CG1 3.3Å; G307-I311 PolarHBondContact O-N 3.06Å |
| 308 | V | 93.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 4.4 Ų | 4.4 | 2% | 0.018 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | M55 P304 I311 F312 L407 L411 I450 | M55-V308 HydrophobicContact CE-CB 4.35Å; M55-V308 HydrophobicContact CE-CG2 3.46Å; M55-V308 VanDerWaalsContact CE-CG2 3.46Å; P304-V308 VanDerWaalsContact O-CB 3.26Å; P304-V308 WeakPolarHBondContact O-CB 3.46Å; P304-V308 WeakPolarHBondContact O-CG2 3.45Å; P304-V308 PolarHBondContact O-N 3.46Å; V308-I311 PolarHBondContact O-N 3.34Å; V308-F312 HydrophobicContact CG1-CD2 3.71Å; V308-F312 HydrophobicContact CG1-CE2 3.45Å; V308-F312 VanDerWaalsContact CG1-CE2 3.45Å; V308-F312 HydrophobicContact CG1-CZ 4.33Å; V308-F312 WeakPolarHBondContact O-CD2 2.81Å; V308-F312 PolarHBondContact O-N 3.17Å; V308-F312 VanDerWaalsContact O-N 3.09Å; V308-L407 HydrophobicContact CG1-CD2 3.7Å; V308-L407 HydrophobicContact CG2-CD2 4.41Å; V308-L411 HydrophobicContact CG2-CD1 3.62Å; V308-I450 HydrophobicContact CG1-CD1 4.14Å |
| 309 | G | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -59.4 | -47.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I305 N306 G307 F312 A313 | I305-G309 PolarHBondContact O-N 3.02Å; N306-G309 PolarHBondContact O-N 2.92Å; G307-G309 VanDerWaalsContact C-N 3.35Å; G307-G309 PolarHBondContact O-N 3.27Å; G309-F312 PolarHBondContact O-N 2.85Å; G309-A313 WeakPolarHBondContact O-CB 3.34Å; G309-A313 PolarHBondContact O-N 3.07Å; G309-A313 VanDerWaalsContact O-N 3.12Å |
| 310 | G | 91.8 | Very high | 91.7 | Very high | 8 Ų | 8 | 5.1 Ų | 5.1 | 8% | 0.082 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | N306 G307 S314 | N306-G310 PolarHBondContact O-N 2.84Å; G307-G310 PolarHBondContact O-N 3.47Å; G310-S314 VanDerWaalsContact O-CB 3.25Å; G310-S314 WeakPolarHBondContact O-CB 3.34Å; G310-S314 PolarHBondContact O-N 3.27Å; G310-S314 PolarHBondContact O-OG 3.38Å |
| 311 | I | 92.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 4 Ų | 4 | 3% | 0.026 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -61.5 | -49.6 | 177.3 | -69.3 | 163.4 | 0 | 0 | 0 | 110.7 | A51 M55 P198 A201 G307 V308 A313 S314 M315 | A51-I311 HydrophobicContact CB-CD1 3.88Å; M55-I311 HydrophobicContact CE-CD1 3.45Å; M55-I311 VanDerWaalsContact CE-CD1 3.45Å; M55-I311 HydrophobicContact SD-CD1 3.79Å; P198-I311 HydrophobicContact CB-CG2 4.14Å; P198-I311 HydrophobicContact CG-CG2 3.88Å; A201-I311 HydrophobicContact CB-CD1 3.45Å; A201-I311 VanDerWaalsContact CB-CD1 3.45Å; A201-I311 HydrophobicContact CB-CG1 3.4Å; G307-I311 WeakPolarHBondContact O-CB 3.4Å; G307-I311 WeakPolarHBondContact O-CD1 3.3Å; G307-I311 WeakPolarHBondContact O-CG1 3.3Å; G307-I311 PolarHBondContact O-N 3.06Å; V308-I311 PolarHBondContact O-N 3.34Å; I311-A313 PolarHBondContact O-N 3.35Å; I311-S314 WeakPolarHBondContact CA-OG 3.19Å; I311-S314 PolarHBondContact O-N 3.46Å; I311-S314 PolarHBondContact O-OG 3.07Å; I311-M315 HydrophobicContact CG2-CG 4.39Å; I311-M315 HydrophobicContact CG2-SD 4.03Å; I311-M315 WeakPolarHBondContact O-CB 3.39Å; I311-M315 VanDerWaalsContact O-CG 3.29Å; I311-M315 WeakPolarHBondContact O-CG 3.24Å; I311-M315 PolarHBondContact O-N 2.99Å |
| 312 | F | 93.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 4.6 Ų | 4.6 | 2% | 0.018 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -65.7 | -39.8 | -177.9 | -76.9 | -38.7 | 0 | 0 | 0 | 113.2 | M44 C48 V308 G309 L316 I400 C404 L407 I450 L454 | M44-F312 HydrophobicContact CE-CD1 3.24Å; M44-F312 HydrophobicContact CE-CE1 3.46Å; M44-F312 VanDerWaalsContact CE-CE1 3.46Å; M44-F312 HydrophobicContact CE-CG 4.46Å; C48-F312 HydrophobicContact CB-CE1 4.04Å; C48-F312 HydrophobicContact CB-CZ 4.33Å; C48-F312 VanDerWaalsContact SG-CE1 3.54Å; V308-F312 HydrophobicContact CG1-CD2 3.71Å; V308-F312 HydrophobicContact CG1-CE2 3.45Å; V308-F312 VanDerWaalsContact CG1-CE2 3.45Å; V308-F312 HydrophobicContact CG1-CZ 4.33Å; V308-F312 WeakPolarHBondContact O-CD2 2.81Å; V308-F312 PolarHBondContact O-N 3.17Å; V308-F312 VanDerWaalsContact O-N 3.09Å; G309-F312 PolarHBondContact O-N 2.85Å; F312-L316 PolarHBondContact O-N 2.93Å; F312-I400 HydrophobicContact CB-CD1 4.48Å; F312-I400 HydrophobicContact CB-CG2 3.77Å; F312-I400 HydrophobicContact CD1-CD1 4.47Å; F312-I400 HydrophobicContact CD1-CG1 4.27Å; F312-I400 HydrophobicContact CD1-CG2 3.72Å; F312-I400 HydrophobicContact CD2-CG2 3.69Å; F312-I400 HydrophobicContact CE1-CG2 4.14Å; F312-I400 HydrophobicContact CE2-CG2 4.11Å; F312-I400 HydrophobicContact CG-CG2 3.46Å; F312-I400 VanDerWaalsContact CG-CG2 3.46Å; F312-I400 HydrophobicContact CZ-CG2 4.3Å; F312-C404 HydrophobicContact CE2-CB 3.84Å; F312-L407 HydrophobicContact CE2-CD2 3.81Å; F312-L407 HydrophobicContact CZ-CD2 3.55Å; F312-I450 HydrophobicContact CD2-CD1 3.67Å; F312-I450 HydrophobicContact CD2-CG1 4.15Å; F312-I450 HydrophobicContact CD2-CG2 4.32Å; F312-I450 HydrophobicContact CE2-CD1 3.91Å; F312-L454 HydrophobicContact CB-CD2 4.48Å |
| 313 | A | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -67.3 | -42.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G309 I311 L316 I317 L453 A457 T494 | G309-A313 WeakPolarHBondContact O-CB 3.34Å; G309-A313 PolarHBondContact O-N 3.07Å; G309-A313 VanDerWaalsContact O-N 3.12Å; I311-A313 PolarHBondContact O-N 3.35Å; A313-L316 WeakPolarHBondContact O-CB 3.21Å; A313-L316 PolarHBondContact O-N 2.89Å; A313-I317 VanDerWaalsContact O-CG1 3.29Å; A313-I317 WeakPolarHBondContact O-CG1 3.47Å; A313-I317 PolarHBondContact O-N 3.2Å; A313-L453 HydrophobicContact CB-CB 4.09Å; A313-A457 HydrophobicContact CB-CB 4.41Å; A313-T494 HydrophobicContact CB-CG2 3.46Å; A313-T494 VanDerWaalsContact CB-CG2 3.46Å |
| 314 | S | 91.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.007 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -67.4 | -40 | 178 | 59 | 0 | 0 | 0 | 0 | 113 | V94 G310 I311 L316 I317 S318 | V94-S314 VanDerWaalsContact CG1-CB 3.45Å; G310-S314 VanDerWaalsContact O-CB 3.25Å; G310-S314 WeakPolarHBondContact O-CB 3.34Å; G310-S314 PolarHBondContact O-N 3.27Å; G310-S314 PolarHBondContact O-OG 3.38Å; I311-S314 WeakPolarHBondContact CA-OG 3.19Å; I311-S314 PolarHBondContact O-N 3.46Å; I311-S314 PolarHBondContact O-OG 3.07Å; S314-L316 PolarHBondContact O-N 3.32Å; S314-I317 CarbonylContact O-C 3.49Å; S314-I317 WeakPolarHBondContact O-CB 3.37Å; S314-I317 PolarHBondContact O-N 2.98Å; S314-I317 VanDerWaalsContact O-N 3.09Å; S314-S318 WeakPolarHBondContact O-CB 3.36Å; S314-S318 PolarHBondContact O-N 3.15Å; S314-S318 PolarHBondContact O-OG 3.37Å |
| 315 | M | 89.2 | Confident | 89.1 | Confident | 2 Ų | 2 | 5.9 Ų | 5.9 | 1% | 0.01 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -58.4 | -38 | 172.2 | -73.9 | -177.6 | 69.2 | 0 | 0 | 112.2 | M44 N194 P197 P198 I311 R319 | M44-M315 HydrophobicContact CB-CE 4.2Å; M44-M315 HydrophobicContact CE-CE 3.69Å; M44-M315 HydrophobicContact CE-SD 3.63Å; M44-M315 HydrophobicContact CG-CE 3.58Å; M44-M315 HydrophobicContact CG-SD 4.18Å; M44-M315 HydrophobicContact SD-CE 3.73Å; M44-M315 HydrophobicContact SD-SD 4.43Å; N194-M315 HydrophobicContact CB-CE 4.48Å; P197-M315 HydrophobicContact CB-CG 4.18Å; P197-M315 HydrophobicContact CG-CG 4.46Å; P198-M315 HydrophobicContact CG-CE 4.48Å; P198-M315 HydrophobicContact CG-SD 3.63Å; I311-M315 HydrophobicContact CG2-CG 4.39Å; I311-M315 HydrophobicContact CG2-SD 4.03Å; I311-M315 WeakPolarHBondContact O-CB 3.39Å; I311-M315 VanDerWaalsContact O-CG 3.29Å; I311-M315 WeakPolarHBondContact O-CG 3.24Å; I311-M315 PolarHBondContact O-N 2.99Å; M315-R319 WeakPolarHBondContact O-CB 3.25Å; M315-R319 VanDerWaalsContact O-CG 3.28Å; M315-R319 WeakPolarHBondContact O-CG 3.41Å; M315-R319 PolarHBondContact O-N 3.33Å; M315-R319 VanDerWaalsContact O-N 3.1Å |
| 316 | L | 91.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.005 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -67.8 | -42.1 | 175.3 | -162.3 | 71 | 0 | 0 | 0 | 111.5 | F312 A313 S314 R319 M320 V393 V396 L454 A457 K458 | F312-L316 PolarHBondContact O-N 2.93Å; A313-L316 WeakPolarHBondContact O-CB 3.21Å; A313-L316 PolarHBondContact O-N 2.89Å; S314-L316 PolarHBondContact O-N 3.32Å; L316-R319 PolarHBondContact O-N 3.05Å; L316-M320 VanDerWaalsContact O-CG 3.31Å; L316-M320 WeakPolarHBondContact O-CG 3.39Å; L316-M320 PolarHBondContact O-N 3.23Å; L316-V393 HydrophobicContact CD1-CB 4.3Å; L316-V393 HydrophobicContact CD1-CG1 3.47Å; L316-V393 VanDerWaalsContact CD1-CG1 3.47Å; L316-V393 HydrophobicContact CD2-CG1 3.91Å; L316-V393 HydrophobicContact CG-CG1 3.66Å; L316-V396 HydrophobicContact CD1-CB 4.31Å; L316-V396 HydrophobicContact CD1-CG1 4.21Å; L316-L454 HydrophobicContact CB-CD2 4.38Å; L316-L454 HydrophobicContact CD2-CB 4.39Å; L316-L454 HydrophobicContact CD2-CD2 3.89Å; L316-A457 HydrophobicContact CD2-CB 4.33Å; L316-K458 HydrophobicContact CD2-CD 4.31Å; L316-K458 HydrophobicContact CD2-CG 3.72Å |
| 317 | I | 91.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.1 | -52.7 | 176.6 | -68.8 | 164.6 | 0 | 0 | 0 | 110.3 | A313 S314 R319 M320 T321 A457 V461 A490 I491 T494 | A313-I317 VanDerWaalsContact O-CG1 3.29Å; A313-I317 WeakPolarHBondContact O-CG1 3.47Å; A313-I317 PolarHBondContact O-N 3.2Å; S314-I317 CarbonylContact O-C 3.49Å; S314-I317 WeakPolarHBondContact O-CB 3.37Å; S314-I317 PolarHBondContact O-N 2.98Å; S314-I317 VanDerWaalsContact O-N 3.09Å; I317-R319 VanDerWaalsContact C-N 3.29Å; I317-R319 PolarHBondContact O-N 3.34Å; I317-M320 CarbonylContact O-C 3.6Å; I317-M320 WeakPolarHBondContact O-CA 3.48Å; I317-M320 WeakPolarHBondContact O-CB 3.48Å; I317-M320 PolarHBondContact O-N 3.1Å; I317-T321 HydrophobicContact CG2-CG2 4.07Å; I317-T321 WeakPolarHBondContact O-CG2 3.17Å; I317-T321 PolarHBondContact O-N 2.87Å; I317-T321 PolarHBondContact O-OG1 3.38Å; I317-T321 VanDerWaalsContact O-OG1 3.13Å; I317-A457 HydrophobicContact CD1-CB 4.13Å; I317-A457 HydrophobicContact CG1-CB 3.9Å; I317-V461 HydrophobicContact CB-CG2 4.18Å; I317-V461 HydrophobicContact CG1-CG2 3.83Å; I317-V461 HydrophobicContact CG2-CG2 3.81Å; I317-A490 HydrophobicContact CD1-CB 4.21Å; I317-A490 WeakPolarHBondContact CD1-O 3.36Å; I317-A490 HydrophobicContact CG2-CB 3.81Å; I317-I491 HydrophobicContact CB-CG1 4.42Å; I317-I491 HydrophobicContact CD1-CG1 4.47Å; I317-I491 HydrophobicContact CG2-CG1 3.86Å; I317-T494 HydrophobicContact CD1-CG2 4.04Å |
| 318 | S | 87.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -55.1 | -43.7 | 177.9 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | S98 S314 M320 T321 T322 | S98-S318 WeakPolarHBondContact CB-OG 3.44Å; S98-S318 VanDerWaalsContact OG-CB 3.3Å; S98-S318 WeakPolarHBondContact OG-CB 3.42Å; S98-S318 PolarHBondContact OG-OG 3.25Å; S314-S318 WeakPolarHBondContact O-CB 3.36Å; S314-S318 PolarHBondContact O-N 3.15Å; S314-S318 PolarHBondContact O-OG 3.37Å; S318-M320 VanDerWaalsContact C-N 3.35Å; S318-M320 PolarHBondContact O-N 3.24Å; S318-T321 WeakPolarHBondContact CA-OG1 3.1Å; S318-T321 PolarHBondContact O-N 3.43Å; S318-T321 PolarHBondContact O-OG1 2.74Å; S318-T322 WeakPolarHBondContact O-CB 3.48Å; S318-T322 PolarHBondContact O-N 3.16Å; S318-T322 PolarHBondContact O-OG1 3.44Å |
| 319 | R | 86.7 | Confident | 85 | Confident | 14 Ų | 14 | 11 Ų | 11 | 5% | 0.053 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 174.7 | -78.1 | 173.6 | 166.2 | -91.4 | -6 | 112.4 | N194 M315 L316 I317 R323 | N194-R319 PolarHBondContact ND2-NH2 3.22Å; N194-R319 PolarHBondContact OD1-NH2 3.17Å; M315-R319 WeakPolarHBondContact O-CB 3.25Å; M315-R319 VanDerWaalsContact O-CG 3.28Å; M315-R319 WeakPolarHBondContact O-CG 3.41Å; M315-R319 PolarHBondContact O-N 3.33Å; M315-R319 VanDerWaalsContact O-N 3.1Å; L316-R319 PolarHBondContact O-N 3.05Å; I317-R319 VanDerWaalsContact C-N 3.29Å; I317-R319 PolarHBondContact O-N 3.34Å; R319-R323 WeakPolarHBondContact O-CG 3.34Å; R319-R323 PolarHBondContact O-N 2.98Å |
| 320 | M | 87.5 | Confident | 83.4 | Confident | 3 Ų | 3 | 14.8 Ų | 14.8 | 2% | 0.015 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.8 | -48.4 | 177.4 | -73.2 | 178.6 | 75.4 | 0 | 0 | 111.5 | L316 I317 S318 R323 L324 I389 V393 K458 V461 L462 | L316-M320 VanDerWaalsContact O-CG 3.31Å; L316-M320 WeakPolarHBondContact O-CG 3.39Å; L316-M320 PolarHBondContact O-N 3.23Å; I317-M320 CarbonylContact O-C 3.6Å; I317-M320 WeakPolarHBondContact O-CA 3.48Å; I317-M320 WeakPolarHBondContact O-CB 3.48Å; I317-M320 PolarHBondContact O-N 3.1Å; S318-M320 VanDerWaalsContact C-N 3.35Å; S318-M320 PolarHBondContact O-N 3.24Å; M320-R323 PolarHBondContact O-N 3.22Å; M320-L324 VanDerWaalsContact O-CG 3.27Å; M320-L324 WeakPolarHBondContact O-CG 3.17Å; M320-L324 PolarHBondContact O-N 3.33Å; M320-I389 HydrophobicContact CG-CG2 4.36Å; M320-V393 HydrophobicContact CG-CB 4.31Å; M320-V393 HydrophobicContact CG-CG1 3.86Å; M320-V393 HydrophobicContact CG-CG2 3.45Å; M320-V393 VanDerWaalsContact CG-CG2 3.45Å; M320-V393 HydrophobicContact SD-CG1 3.7Å; M320-V393 HydrophobicContact SD-CG2 4.35Å; M320-K458 HydrophobicContact SD-CB 4.42Å; M320-K458 HydrophobicContact SD-CG 4.11Å; M320-V461 HydrophobicContact CB-CG1 3.85Å; M320-V461 HydrophobicContact CE-CB 3.87Å; M320-V461 HydrophobicContact CE-CG1 3.89Å; M320-V461 HydrophobicContact SD-CB 4.19Å; M320-V461 HydrophobicContact SD-CG1 4.4Å; M320-V461 HydrophobicContact SD-CG2 4.46Å; M320-L462 HydrophobicContact CE-CD2 4.23Å; M320-L462 HydrophobicContact CE-CG 3.9Å |
| 321 | T | 86.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.9 | -41.7 | -176 | 55.8 | 0 | 0 | 0 | 0 | 111.6 | I317 S318 R323 L324 H325 V461 I486 D487 | I317-T321 HydrophobicContact CG2-CG2 4.07Å; I317-T321 WeakPolarHBondContact O-CG2 3.17Å; I317-T321 PolarHBondContact O-N 2.87Å; I317-T321 PolarHBondContact O-OG1 3.38Å; I317-T321 VanDerWaalsContact O-OG1 3.13Å; S318-T321 WeakPolarHBondContact CA-OG1 3.1Å; S318-T321 PolarHBondContact O-N 3.43Å; S318-T321 PolarHBondContact O-OG1 2.74Å; T321-R323 VanDerWaalsContact C-N 3.3Å; T321-R323 PolarHBondContact O-N 2.93Å; T321-L324 CarbonylContact O-C 3.55Å; T321-L324 PolarHBondContact O-N 3.35Å; T321-L324 VanDerWaalsContact O-N 3.12Å; T321-H325 WeakPolarHBondContact O-CB 3.41Å; T321-H325 PolarHBondContact O-CD2 3.41Å; T321-H325 VanDerWaalsContact O-CD2 3.3Å; T321-H325 PolarHBondContact O-N 2.86Å; T321-V461 HydrophobicContact CG2-CG1 4.12Å; T321-I486 HydrophobicContact CG2-CG2 3.85Å; T321-D487 WeakPolarHBondContact CB-OD1 3.24Å; T321-D487 WeakPolarHBondContact CG2-OD1 3.39Å; T321-D487 PolarHBondContact OG1-OD1 2.9Å |
| 322 | T | 82.6 | Confident | 78.7 | Confident | 12 Ų | 12 | 27.1 Ų | 27.1 | 7% | 0.074 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.7 | -44.3 | 171.4 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | T102 H105 S318 H325 S326 | T102-T322 PolarHBondContact OG1-OG1 3.39Å; T102-T322 VanDerWaalsContact OG1-OG1 3.07Å; H105-T322 WeakPolarHBondContact CD2-CG2 3.45Å; S318-T322 WeakPolarHBondContact O-CB 3.48Å; S318-T322 PolarHBondContact O-N 3.16Å; S318-T322 PolarHBondContact O-OG1 3.44Å; T322-H325 WeakPolarHBondContact O-CB 3.22Å; T322-H325 PolarHBondContact O-N 2.86Å; T322-S326 PolarHBondContact O-N 3.27Å |
| 323 | R | 81.8 | Confident | 75.5 | Confident | 43 Ų | 43 | 32.1 Ų | 32.1 | 16% | 0.162 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.7 | -35.3 | 177.1 | -71.3 | -172 | 175.7 | -162.4 | 3.3 | 112.9 | R319 M320 T321 H325 S326 I327 I389 D392 | R319-R323 WeakPolarHBondContact O-CG 3.34Å; R319-R323 PolarHBondContact O-N 2.98Å; M320-R323 PolarHBondContact O-N 3.22Å; T321-R323 VanDerWaalsContact C-N 3.3Å; T321-R323 PolarHBondContact O-N 2.93Å; R323-H325 VanDerWaalsContact C-N 3.33Å; R323-S326 PolarHBondContact O-N 3.24Å; R323-S326 PolarHBondContact O-OG 3.38Å; R323-I327 VanDerWaalsContact O-CG1 3.31Å; R323-I327 WeakPolarHBondContact O-CG1 3.26Å; R323-I327 PolarHBondContact O-N 3.06Å; R323-I327 VanDerWaalsContact O-N 3.1Å; R323-I389 HydrophobicContact CB-CD1 3.7Å; R323-I389 HydrophobicContact CB-CG1 3.76Å; R323-I389 HydrophobicContact CG-CG1 4.49Å; R323-D392 IonicContact CZ-OD1 2.66Å; R323-D392 IonicContact CZ-OD2 2.85Å; R323-D392 IonicContact NE-OD2 2.86Å; R323-D392 IonicContact NH1-OD1 3.63Å; R323-D392 IonicContact NH1-OD2 3.27Å; R323-D392 PolarHBondContact NH1-OD2 2.95Å; R323-D392 IonicContact NH2-OD1 2.79Å; R323-D392 PolarHBondContact NH2-OD1 2.82Å; R323-D392 IonicContact NH2-OD2 3.29Å; R323-D392 PolarHBondContact NH2-OD2 3.48Å |
| 324 | L | 81 | Confident | 72.4 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -36.5 | 173.6 | -69.2 | 169.9 | 0 | 0 | 0 | 111.5 | M320 T321 T328 I389 V461 W465 | M320-L324 VanDerWaalsContact O-CG 3.27Å; M320-L324 WeakPolarHBondContact O-CG 3.17Å; M320-L324 PolarHBondContact O-N 3.33Å; T321-L324 CarbonylContact O-C 3.55Å; T321-L324 PolarHBondContact O-N 3.35Å; T321-L324 VanDerWaalsContact O-N 3.12Å; L324-T328 WeakPolarHBondContact O-CB 3.3Å; L324-T328 PolarHBondContact O-N 3.08Å; L324-T328 PolarHBondContact O-OG1 2.82Å; L324-I389 HydrophobicContact CD2-CD1 3.82Å; L324-I389 HydrophobicContact CG-CD1 4.18Å; L324-V461 HydrophobicContact CD1-CG1 3.78Å; L324-W465 HydrophobicContact CD1-CB 4.06Å; L324-W465 HydrophobicContact CD1-CG 3.86Å; L324-W465 HydrophobicContact CD2-CD2 3.98Å; L324-W465 HydrophobicContact CD2-CG 4.07Å; L324-W465 HydrophobicContact CD2-CZ2 4.45Å |
| 325 | H | 77.4 | Confident | 69.5 | Low | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 171.5 | -93.4 | -81.4 | 0 | 0 | 0 | 110.8 | T102 S259 T321 T322 R323 I327 T328 C329 L483 | T102-H325 HydrophobicContact CG2-CB 4.04Å; S259-H325 PolarHBondContact O-CE1 3.01Å; S259-H325 PolarHBondContact OG-CE1 2.88Å; S259-H325 PolarHBondContact OG-ND1 3.21Å; S259-H325 VanDerWaalsContact OG-ND1 3.1Å; T321-H325 WeakPolarHBondContact O-CB 3.41Å; T321-H325 PolarHBondContact O-CD2 3.41Å; T321-H325 VanDerWaalsContact O-CD2 3.3Å; T321-H325 PolarHBondContact O-N 2.86Å; T322-H325 WeakPolarHBondContact O-CB 3.22Å; T322-H325 PolarHBondContact O-N 2.86Å; R323-H325 VanDerWaalsContact C-N 3.33Å; H325-I327 PolarHBondContact O-N 3.06Å; H325-T328 PolarHBondContact O-N 3.31Å; H325-T328 VanDerWaalsContact O-N 3.16Å; H325-C329 PolarHBondContact O-N 3.43Å; H325-C329 PolarHBondContact O-SG 3.45Å; H325-C329 VanDerWaalsContact O-SG 3.33Å; H325-L483 HydrophobicContact CB-CD2 4Å; H325-L483 VanDerWaalsContact CD2-CD2 3.41Å; H325-L483 WeakPolarHBondContact CD2-CD2 3.16Å; H325-L483 VanDerWaalsContact CE1-CB 3.44Å; H325-L483 WeakPolarHBondContact CE1-CB 3.19Å; H325-L483 WeakPolarHBondContact ND1-CD2 3.33Å; H325-L483 VanDerWaalsContact NE2-CG 3.26Å; H325-L483 WeakPolarHBondContact NE2-CG 3.5Å |
| 326 | S | 75.3 | Confident | 66.4 | Low | 51 Ų | 51 | 55.1 Ų | 55.1 | 36% | 0.357 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | -179.8 | 75.2 | 0 | 0 | 0 | 0 | 112.3 | T322 R323 T328 C329 S330 | T322-S326 PolarHBondContact O-N 3.27Å; R323-S326 PolarHBondContact O-N 3.24Å; R323-S326 PolarHBondContact O-OG 3.38Å; S326-T328 VanDerWaalsContact C-N 3.32Å; S326-T328 PolarHBondContact O-N 3.32Å; S326-C329 PolarHBondContact O-N 2.79Å; S326-S330 WeakPolarHBondContact O-CB 3.45Å; S326-S330 PolarHBondContact O-N 2.98Å; S326-S330 PolarHBondContact O-OG 3.45Å; S326-S330 VanDerWaalsContact O-OG 3.12Å |
| 327 | I | 74.2 | Confident | 63.5 | Low | 17 Ų | 17 | 62.6 Ų | 62.6 | 9% | 0.087 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 175 | -65.6 | 169.9 | 0 | 0 | 0 | 111.2 | R323 H325 K385 I389 | R323-I327 VanDerWaalsContact O-CG1 3.31Å; R323-I327 WeakPolarHBondContact O-CG1 3.26Å; R323-I327 PolarHBondContact O-N 3.06Å; R323-I327 VanDerWaalsContact O-N 3.1Å; H325-I327 PolarHBondContact O-N 3.06Å; I327-K385 HydrophobicContact CD1-CB 3.57Å; I327-K385 HydrophobicContact CD1-CD 4.38Å; I327-K385 HydrophobicContact CG1-CB 4.08Å; I327-K385 HydrophobicContact CG1-CD 3.94Å; I327-K385 HydrophobicContact CG2-CD 4.25Å; I327-I389 HydrophobicContact CD1-CD1 3.37Å; I327-I389 HydrophobicContact CD1-CG1 4.35Å |
| 328 | T | 70.7 | Confident | 60.4 | Low | 48 Ų | 48 | 67.7 Ų | 67.7 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70 | -39 | -175.8 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | L324 H325 S326 | L324-T328 WeakPolarHBondContact O-CB 3.3Å; L324-T328 PolarHBondContact O-N 3.08Å; L324-T328 PolarHBondContact O-OG1 2.82Å; H325-T328 PolarHBondContact O-N 3.31Å; H325-T328 VanDerWaalsContact O-N 3.16Å; S326-T328 VanDerWaalsContact C-N 3.32Å; S326-T328 PolarHBondContact O-N 3.32Å |
| 329 | C | 66.1 | Low | 57.6 | Low | 20 Ų | 20 | 75.2 Ų | 75.2 | 14% | 0.135 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -77.2 | -27.2 | 178.4 | -60.6 | 0 | 0 | 0 | 0 | 113 | F106 D256 H325 S326 K331 | F106-C329 HydrophobicContact CE1-CB 3.79Å; F106-C329 HydrophobicContact CZ-CB 3.99Å; D256-C329 PolarHBondContact O-SG 3.38Å; H325-C329 PolarHBondContact O-N 3.43Å; H325-C329 PolarHBondContact O-SG 3.45Å; H325-C329 VanDerWaalsContact O-SG 3.33Å; S326-C329 PolarHBondContact O-N 2.79Å; C329-K331 PolarHBondContact O-N 3.02Å |
| 330 | S | 60.7 | Low | 54.7 | Low | 79 Ų | 79 | 82 Ų | 82 | 55% | 0.552 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -1.6 | 175.3 | -69.1 | 0 | 0 | 0 | 0 | 114.7 | S326 K332 | S326-S330 WeakPolarHBondContact O-CB 3.45Å; S326-S330 PolarHBondContact O-N 2.98Å; S326-S330 PolarHBondContact O-OG 3.45Å; S326-S330 VanDerWaalsContact O-OG 3.12Å; S330-K332 PolarHBondContact O-N 3.32Å |
| 331 | K | 53 | Low | 52.1 | Low | 131 Ų | 131 | 87.5 Ų | 87.5 | 57% | 0.57 | 47% | 0.467 | S | S | * | . | trans | -71.7 | 41.4 | 178.1 | -69 | -169.6 | 175.5 | -171.1 | 0 | 114.3 | C329 | C329-K331 PolarHBondContact O-N 3.02Š| ||
| 332 | K | 32.6 | Very low | 49.3 | Very low | 141 Ų | 141 | 91.3 Ų | 91.3 | 61% | 0.613 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -81.5 | 137.7 | 156.6 | -73.8 | -179.6 | -177.3 | 169.7 | 0 | 107.7 | D256 S330 | D256-K332 IonicContact OD2-NZ 3.88Å; S330-K332 PolarHBondContact O-N 3.32Å |
| 333 | P | 26 | Very low | 46.7 | Very low | 110 Ų | 110 | 96.7 Ų | 96.7 | 71% | 0.714 | 53% | 0.529 | S | S | * | . | trans | -54.3 | 144.4 | 168.6 | 25.4 | -32.3 | 0 | 0 | 0 | 107.7 | L335 | P333-L335 PolarHBondContact O-N 2.71Š| ||
| 334 | P | 28.5 | Very low | 44.5 | Very low | 126 Ų | 126 | 100.4 Ų | 100.4 | 82% | 0.818 | 56% | 0.557 | S | S | * | * | trans | -54.7 | 114.2 | 179 | 23.6 | -31.4 | 0 | 0 | 0 | 107.4 | K336 | P334-K336 PolarHBondContact O-N 3.49Š| ||
| 335 | L | 29.5 | Very low | 42.2 | Very low | 161 Ų | 161 | 106.3 Ų | 106.3 | 84% | 0.843 | 60% | 0.598 | S | S | * | * | trans | -51.5 | 120 | 157 | -89.7 | 160.7 | 0 | 0 | 0 | 104.1 | P333 E337 | P333-L335 PolarHBondContact O-N 2.71Å; L335-E337 PolarHBondContact O-N 3.19Å | ||
| 336 | K | 25.3 | Very low | 40.1 | Very low | 198 Ų | 198 | 109.8 Ų | 109.8 | 86% | 0.861 | 63% | 0.634 | S | S | * | * | trans | -37.1 | 109.1 | 167.8 | -79.8 | 177 | 172.7 | 179.8 | 0 | 106.6 | P334 S338 | P334-K336 PolarHBondContact O-N 3.49Å; K336-S338 PolarHBondContact O-N 2.97Å | ||
| 337 | E | 29.8 | Very low | 37.7 | Very low | 159 Ų | 159 | 115.6 Ų | 115.6 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | trans | -58.4 | 102.6 | 154.1 | -85.9 | 178.5 | 157.1 | 0 | 0 | 103.5 | L335 F339 | L335-E337 PolarHBondContact O-N 3.19Å; E337-F339 HydrophobicContact CB-CD2 3.89Å; E337-F339 HydrophobicContact CB-CE2 4.27Å; E337-F339 PolarHBondContact O-N 3.41Å; E337-F339 WeakPolarHBondContact OE2-CE2 3.46Å | ||
| 338 | S | 26.2 | Very low | 35.7 | Very low | 107 Ų | 107 | 120.5 Ų | 120.5 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | trans | -61.7 | 76.5 | 156.4 | 52.7 | 0 | 0 | 0 | 0 | 106 | K336 L340 | K336-S338 PolarHBondContact O-N 2.97Å; S338-L340 PolarHBondContact O-N 3.42Å | ||
| 339 | F | 28.1 | Very low | 33.8 | Very low | 157 Ų | 157 | 124.2 Ų | 124.2 | 69% | 0.689 | 71% | 0.714 | S | S | * | * | trans | -64.5 | 90.8 | 150.3 | -94.2 | -77.6 | 0 | 0 | 0 | 105 | E337 V341 | E337-F339 HydrophobicContact CB-CD2 3.89Å; E337-F339 HydrophobicContact CB-CE2 4.27Å; E337-F339 PolarHBondContact O-N 3.41Å; E337-F339 WeakPolarHBondContact OE2-CE2 3.46Å; F339-V341 HydrophobicContact CB-CG2 4.22Å; F339-V341 PolarHBondContact O-N 2.91Å | ||
| 340 | L | 26.4 | Very low | 32.2 | Very low | 157 Ų | 157 | 130.4 Ų | 130.4 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -65.3 | 76.6 | 162.9 | -159.1 | 132.8 | 0 | 0 | 0 | 105.9 | S338 | S338-L340 PolarHBondContact O-N 3.42Š| ||
| 341 | V | 31.5 | Very low | 31 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | trans | -86.2 | 107.9 | 165.3 | 176.5 | 0 | 0 | 0 | 0 | 105.3 | F339 | F339-V341 HydrophobicContact CB-CG2 4.22Å; F339-V341 PolarHBondContact O-N 2.91Å | ||
| 342 | S | 28.2 | Very low | 29.8 | Very low | 81 Ų | 81 | 137.8 Ų | 137.8 | 57% | 0.566 | 78% | 0.778 | S | S | * | * | trans | -49.8 | 141.3 | 172.6 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | T344 | S342-T344 PolarHBondContact O-N 2.91Å; S342-T344 VanDerWaalsContact O-N 3.13Å | ||
| 343 | P | 28.1 | Very low | 29.8 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -83.4 | 94.4 | -175.8 | 32.8 | -30.4 | 0 | 0 | 0 | 109.4 | ||
| 344 | T | 35.3 | Very low | 30.1 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -154.8 | 130.3 | 159.4 | 38.5 | 0 | 0 | 0 | 0 | 111.3 | S342 | S342-T344 PolarHBondContact O-N 2.91Å; S342-T344 VanDerWaalsContact O-N 3.13Å | ||
| 345 | S | 33.9 | Very low | 30.1 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | 75.4 | 117.4 | 158.8 | 51.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 346 | G | 31.7 | Very low | 30.4 | Very low | 74 Ų | 74 | 144.5 Ų | 144.5 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 99.7 | 87.9 | 149.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 347 | L | 26.2 | Very low | 30.8 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | 50.3 | 117.8 | 91.5 | -151.6 | 89 | 0 | 0 | 0 | 114.4 | |||||
| 348 | V | 32.1 | Very low | 31.1 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | 160.6 | 103.8 | 127.7 | 166.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 349 | T | 30.5 | Very low | 31.4 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | 42.4 | 122 | 142.1 | 64.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 350 | V | 33.4 | Very low | 31.6 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 90% | 0.903 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -102 | 132.3 | 155.2 | 174 | 0 | 0 | 0 | 0 | 108.3 | ||
| 351 | E | 34 | Very low | 31.8 | Very low | 192 Ų | 192 | 146.8 Ų | 146.8 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 137.8 | -178 | -132.5 | 168.5 | 174.7 | 0 | 0 | 112.1 | ||
| 352 | E | 28.2 | Very low | 31.8 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 147.6 | 179.4 | -70.5 | 175.2 | 123.3 | 0 | 0 | 113.4 | ||
| 353 | V | 33.4 | Very low | 31.9 | Very low | 130 Ų | 130 | 148.4 Ų | 148.4 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | trans | -144.8 | 118.1 | 145 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 354 | N | 32.2 | Very low | 32 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | 91.7 | 101.7 | 152.4 | -67.5 | -10.4 | 0 | 0 | 0 | 122.4 | ||||
| 355 | R | 27.9 | Very low | 31.7 | Very low | 226 Ų | 226 | 147 Ų | 147 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -60.9 | 147.3 | 155.5 | -60.5 | 170.9 | 169.9 | 167.2 | -2.8 | 112 | ||||
| 356 | E | 35.4 | Very low | 31.6 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | 172.7 | 123 | 99.1 | -109.5 | 174.2 | -169.5 | 0 | 0 | 112.9 | |||||
| 357 | N | 33.7 | Very low | 31.5 | Very low | 147 Ų | 147 | 152.4 Ų | 152.4 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | 62.7 | 131.9 | 138.4 | -72.6 | -14.8 | 0 | 0 | 0 | 124.6 | ||||
| 358 | S | 36 | Very low | 31.6 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | 101 | 89.7 | 133.3 | -178.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 359 | D | 33.4 | Very low | 31.6 | Very low | 142 Ų | 142 | 151.8 Ų | 151.8 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | 57.6 | 115 | 117 | -79.3 | -7 | 0 | 0 | 0 | 122 | |||||
| 360 | R | 33 | Very low | 31.4 | Very low | 232 Ų | 232 | 154 Ų | 154 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | trans | 123.3 | 112.7 | 135.3 | -74.1 | 172.1 | -167.7 | -169.5 | 4.8 | 116.6 | ||||
| 361 | K | 30.7 | Very low | 31.2 | Very low | 200 Ų | 200 | 156.2 Ų | 156.2 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | 22.4 | 114.3 | 137.1 | -71.6 | 176.9 | 174.8 | 177 | 0 | 116.8 | ||||
| 362 | S | 30.4 | Very low | 31.1 | Very low | 106 Ų | 106 | 153 Ų | 153 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | 158.2 | 130.8 | 100 | 58.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 363 | T | 31.4 | Very low | 31.1 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | 63 | 124.3 | 145.4 | 48.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 364 | S | 30.2 | Very low | 31.1 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | 75.8 | 112.9 | 144.2 | 80.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 365 | T | 28.4 | Very low | 31 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | trans | 52.3 | 105.3 | 132.9 | 56.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 366 | N | 31.5 | Very low | 31 | Very low | 158 Ų | 158 | 138 Ų | 138 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | 179.4 | 149.4 | 104.5 | -94 | -26.8 | 0 | 0 | 0 | 113 | |||||
| 367 | N | 29.7 | Very low | 30.8 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | trans | -58.7 | 148.2 | -172.4 | -74.4 | -38.5 | 0 | 0 | 0 | 114.9 | ||||
| 368 | S | 27.7 | Very low | 31.2 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | trans | -56.4 | 130.9 | 171.4 | 42.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 369 | H | 32.7 | Very low | 32 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | trans | -94.7 | 94.2 | 152.6 | -88.1 | -79.2 | 0 | 0 | 0 | 108.8 | ||||
| 370 | F | 27.2 | Very low | 32.3 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | -118.3 | 75.7 | 167.2 | -145.1 | -88.6 | 0 | 0 | 0 | 107.2 | ||||
| 371 | Y | 29.2 | Very low | 33.6 | Very low | 195 Ų | 195 | 127.2 Ų | 127.2 | 77% | 0.765 | 69% | 0.692 | S | S | * | * | trans | -130.3 | 66.2 | -178 | -91.6 | -82.1 | 0 | 0 | 0 | 110.1 | ||||
| 372 | T | 31.5 | Very low | 35.1 | Very low | 125 Ų | 125 | 118.9 Ų | 118.9 | 77% | 0.767 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -145.1 | -10.1 | 173.4 | 40.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 373 | S | 27.5 | Very low | 36.9 | Very low | 73 Ų | 73 | 117.8 Ų | 117.8 | 51% | 0.51 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -100.6 | -20.6 | -175 | 58.7 | 0 | 0 | 0 | 0 | 116.1 | S376 | S373-S376 PolarHBondContact O-OG 3.19Å; S373-S376 VanDerWaalsContact O-OG 3.06Å |
| 374 | S | 32.8 | Very low | 38.9 | Very low | 75 Ų | 75 | 120.3 Ų | 120.3 | 52% | 0.524 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -79.3 | -33.3 | -176.9 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | E378 | S374-E378 PolarHBondContact O-N 3.22Å |
| 375 | Q | 31.7 | Very low | 41.2 | Very low | 153 Ų | 153 | 119.8 Ų | 119.8 | 72% | 0.715 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.7 | -28.4 | 179.2 | -76.8 | -177.7 | -13.1 | 0 | 0 | 113.6 | T379 | Q375-T379 VanDerWaalsContact O-CG2 3.31Å; Q375-T379 WeakPolarHBondContact O-CG2 3.29Å; Q375-T379 PolarHBondContact O-N 2.96Å; Q375-T379 PolarHBondContact O-OG1 2.94Å |
| 376 | S | 27.4 | Very low | 43.6 | Very low | 69 Ų | 69 | 116 Ų | 116 | 48% | 0.483 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.9 | -32.8 | 179.3 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | S373 T379 L380 | S373-S376 PolarHBondContact O-OG 3.19Å; S373-S376 VanDerWaalsContact O-OG 3.06Å; S376-T379 WeakPolarHBondContact CA-OG1 3.39Å; S376-T379 PolarHBondContact O-OG1 3.26Å; S376-L380 PolarHBondContact O-N 2.64Å |
| 377 | F | 30.9 | Very low | 46 | Very low | 167 Ų | 167 | 113.9 Ų | 113.9 | 73% | 0.732 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -74.2 | -39.5 | 177.4 | -161 | -98.8 | 0 | 0 | 0 | 112.9 | L380 G381 | F377-L380 PolarHBondContact O-N 2.89Å; F377-G381 PolarHBondContact O-N 3.19Å |
| 378 | E | 42.7 | Very low | 48.4 | Very low | 148 Ų | 148 | 111 Ų | 111 | 69% | 0.692 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67 | -37.8 | 177.6 | -72.1 | -170.5 | 166.2 | 0 | 0 | 112.8 | S374 S382 | S374-E378 PolarHBondContact O-N 3.22Å; E378-S382 PolarHBondContact O-N 3.31Å |
| 379 | T | 51.8 | Low | 51 | Low | 92 Ų | 92 | 106.6 Ų | 106.6 | 56% | 0.564 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.2 | -39.9 | 175.6 | 48 | 0 | 0 | 0 | 0 | 111.4 | Q375 S376 S382 C383 | Q375-T379 VanDerWaalsContact O-CG2 3.31Å; Q375-T379 WeakPolarHBondContact O-CG2 3.29Å; Q375-T379 PolarHBondContact O-N 2.96Å; Q375-T379 PolarHBondContact O-OG1 2.94Å; S376-T379 WeakPolarHBondContact CA-OG1 3.39Å; S376-T379 PolarHBondContact O-OG1 3.26Å; T379-S382 PolarHBondContact O-N 2.88Å; T379-C383 WeakPolarHBondContact O-CB 3.34Å; T379-C383 PolarHBondContact O-N 2.64Å |
| 380 | L | 39.9 | Very low | 53.5 | Low | 125 Ų | 125 | 102 Ų | 102 | 65% | 0.654 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.2 | -45 | 175.7 | -135.8 | 90.2 | 0 | 0 | 0 | 112.2 | S376 F377 C383 R384 | S376-L380 PolarHBondContact O-N 2.64Å; F377-L380 PolarHBondContact O-N 2.89Å; L380-C383 PolarHBondContact O-N 2.87Å; L380-R384 PolarHBondContact O-N 2.71Å |
| 381 | G | 59.5 | Low | 56.2 | Low | 35 Ų | 35 | 97.4 Ų | 97.4 | 36% | 0.361 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F377 K385 | F377-G381 PolarHBondContact O-N 3.19Å; G381-K385 WeakPolarHBondContact O-CG 3.34Å; G381-K385 PolarHBondContact O-N 3.46Å |
| 382 | S | 63.8 | Low | 58.8 | Low | 25 Ų | 25 | 88.8 Ų | 88.8 | 18% | 0.175 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 174.3 | -166.9 | 0 | 0 | 0 | 0 | 111.7 | E378 T379 R384 K385 I386 | E378-S382 PolarHBondContact O-N 3.31Å; T379-S382 PolarHBondContact O-N 2.88Å; S382-R384 PolarHBondContact O-N 2.76Å; S382-K385 PolarHBondContact O-N 3.36Å; S382-I386 WeakPolarHBondContact O-CD1 3.11Å; S382-I386 WeakPolarHBondContact O-CG1 3.29Å; S382-I386 PolarHBondContact O-N 3.43Å; S382-I386 VanDerWaalsContact O-N 3.09Å |
| 383 | C | 66.7 | Low | 61.4 | Low | 84 Ų | 84 | 82.9 Ų | 82.9 | 57% | 0.568 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.4 | -40.6 | 178.7 | -164 | 0 | 0 | 0 | 0 | 112 | T379 L380 I386 H387 | T379-C383 WeakPolarHBondContact O-CB 3.34Å; T379-C383 PolarHBondContact O-N 2.64Å; L380-C383 PolarHBondContact O-N 2.87Å; C383-I386 PolarHBondContact O-N 3.46Å; C383-H387 WeakPolarHBondContact O-CB 3.29Å; C383-H387 PolarHBondContact O-N 3.38Å |
| 384 | R | 74.1 | Confident | 64.4 | Low | 179 Ų | 179 | 80.8 Ų | 80.8 | 68% | 0.675 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.3 | -47.3 | 175.4 | -175.8 | 177.5 | 174.6 | 167 | 5 | 112.3 | L380 S382 I386 H387 E388 | L380-R384 PolarHBondContact O-N 2.71Å; S382-R384 PolarHBondContact O-N 2.76Å; R384-I386 VanDerWaalsContact C-N 3.33Å; R384-I386 PolarHBondContact O-N 3.04Å; R384-H387 WeakPolarHBondContact O-CB 3.04Å; R384-H387 PolarHBondContact O-N 2.71Å; R384-H387 VanDerWaalsContact O-N 3.15Å; R384-E388 IonicContact NE-OE1 3.35Å; R384-E388 PolarHBondContact NE-OE1 2.95Å; R384-E388 WeakPolarHBondContact O-CG 3.39Å; R384-E388 PolarHBondContact O-N 3.4Å |
| 385 | K | 78 | Confident | 67.1 | Low | 89 Ų | 89 | 79.7 Ų | 79.7 | 39% | 0.387 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 179.1 | -66.3 | -173.8 | -174.9 | -178 | 0 | 112.5 | I327 G381 S382 H387 E388 I389 | I327-K385 HydrophobicContact CD1-CB 3.57Å; I327-K385 HydrophobicContact CD1-CD 4.38Å; I327-K385 HydrophobicContact CG1-CB 4.08Å; I327-K385 HydrophobicContact CG1-CD 3.94Å; I327-K385 HydrophobicContact CG2-CD 4.25Å; G381-K385 WeakPolarHBondContact O-CG 3.34Å; G381-K385 PolarHBondContact O-N 3.46Å; S382-K385 PolarHBondContact O-N 3.36Å; K385-H387 VanDerWaalsContact C-N 3.33Å; K385-E388 PolarHBondContact O-N 3.14Å; K385-I389 WeakPolarHBondContact O-CG1 3.09Å; K385-I389 PolarHBondContact O-N 2.98Å |
| 386 | I | 78.6 | Confident | 69.8 | Low | 37 Ų | 37 | 72.6 Ų | 72.6 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66 | -39 | 174.5 | -64.2 | 156.1 | 0 | 0 | 0 | 110.9 | S382 C383 R384 I389 H390 L462 W465 | S382-I386 WeakPolarHBondContact O-CD1 3.11Å; S382-I386 WeakPolarHBondContact O-CG1 3.29Å; S382-I386 PolarHBondContact O-N 3.43Å; S382-I386 VanDerWaalsContact O-N 3.09Å; C383-I386 PolarHBondContact O-N 3.46Å; R384-I386 VanDerWaalsContact C-N 3.33Å; R384-I386 PolarHBondContact O-N 3.04Å; I386-I389 WeakPolarHBondContact O-CB 3.43Å; I386-I389 PolarHBondContact O-N 3.34Å; I386-H390 PolarHBondContact O-N 3.34Å; I386-L462 HydrophobicContact CG2-CD2 4.41Å; I386-W465 HydrophobicContact CD1-CH2 3.19Å; I386-W465 HydrophobicContact CD1-CZ2 4.12Å; I386-W465 HydrophobicContact CD1-CZ3 3.5Å; I386-W465 HydrophobicContact CG1-CH2 3.95Å; I386-W465 HydrophobicContact CG1-CZ3 4.19Å |
| 387 | H | 81.8 | Confident | 72.8 | Confident | 114 Ų | 114 | 69.4 Ų | 69.4 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 175.3 | -171 | 75 | 0 | 0 | 0 | 111.8 | C383 R384 K385 I389 H390 I391 | C383-H387 WeakPolarHBondContact O-CB 3.29Å; C383-H387 PolarHBondContact O-N 3.38Å; R384-H387 WeakPolarHBondContact O-CB 3.04Å; R384-H387 PolarHBondContact O-N 2.71Å; R384-H387 VanDerWaalsContact O-N 3.15Å; K385-H387 VanDerWaalsContact C-N 3.33Å; H387-I389 PolarHBondContact O-N 2.97Å; H387-H390 PolarHBondContact O-N 3.33Å; H387-H390 VanDerWaalsContact O-N 3.15Å; H387-I391 WeakPolarHBondContact NE2-CD1 3.34Å; H387-I391 WeakPolarHBondContact O-CG1 3.35Å; H387-I391 PolarHBondContact O-N 2.92Å |
| 388 | E | 81.4 | Confident | 75.8 | Confident | 92 Ų | 92 | 67.8 Ų | 67.8 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 174.5 | -71.4 | 168.8 | -171 | 0 | 0 | 112.3 | R384 K385 I391 D392 | R384-E388 IonicContact NE-OE1 3.35Å; R384-E388 PolarHBondContact NE-OE1 2.95Å; R384-E388 WeakPolarHBondContact O-CG 3.39Å; R384-E388 PolarHBondContact O-N 3.4Å; K385-E388 PolarHBondContact O-N 3.14Å; E388-I391 PolarHBondContact O-N 3.1Å; E388-D392 PolarHBondContact O-N 3.24Å; E388-D392 VanDerWaalsContact O-N 3.15Å |
| 389 | I | 81.8 | Confident | 78.1 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 171.3 | -68 | 171.4 | 0 | 0 | 0 | 110.2 | M320 R323 L324 I327 K385 I386 H387 I391 D392 V393 | M320-I389 HydrophobicContact CG-CG2 4.36Å; R323-I389 HydrophobicContact CB-CD1 3.7Å; R323-I389 HydrophobicContact CB-CG1 3.76Å; R323-I389 HydrophobicContact CG-CG1 4.49Å; L324-I389 HydrophobicContact CD2-CD1 3.82Å; L324-I389 HydrophobicContact CG-CD1 4.18Å; I327-I389 HydrophobicContact CD1-CD1 3.37Å; I327-I389 HydrophobicContact CD1-CG1 4.35Å; K385-I389 WeakPolarHBondContact O-CG1 3.09Å; K385-I389 PolarHBondContact O-N 2.98Å; I386-I389 WeakPolarHBondContact O-CB 3.43Å; I386-I389 PolarHBondContact O-N 3.34Å; H387-I389 PolarHBondContact O-N 2.97Å; I389-I391 VanDerWaalsContact C-N 3.34Å; I389-I391 PolarHBondContact O-N 3.39Å; I389-D392 PolarHBondContact O-N 2.63Å; I389-V393 HydrophobicContact CG2-CG2 3.92Å; I389-V393 VanDerWaalsContact O-CB 3.25Å; I389-V393 WeakPolarHBondContact O-CB 3Å; I389-V393 WeakPolarHBondContact O-CG2 2.96Å; I389-V393 PolarHBondContact O-N 2.87Å |
| 390 | H | 85.1 | Confident | 80.1 | Confident | 84 Ų | 84 | 57.4 Ų | 57.4 | 39% | 0.389 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | -176.9 | -175.6 | -90.3 | 0 | 0 | 0 | 112.6 | I386 H387 S394 | I386-H390 PolarHBondContact O-N 3.34Å; H387-H390 PolarHBondContact O-N 3.33Å; H387-H390 VanDerWaalsContact O-N 3.15Å; H390-S394 VanDerWaalsContact O-CB 3.24Å; H390-S394 WeakPolarHBondContact O-CB 3.09Å; H390-S394 PolarHBondContact O-N 3.42Å |
| 391 | I | 84.8 | Confident | 82.6 | Confident | 77 Ų | 77 | 55.6 Ų | 55.6 | 40% | 0.395 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.7 | -52.8 | 176.6 | -69.5 | 170.4 | 0 | 0 | 0 | 110.6 | H387 E388 I389 V393 S394 Q395 | H387-I391 WeakPolarHBondContact NE2-CD1 3.34Å; H387-I391 WeakPolarHBondContact O-CG1 3.35Å; H387-I391 PolarHBondContact O-N 2.92Å; E388-I391 PolarHBondContact O-N 3.1Å; I389-I391 VanDerWaalsContact C-N 3.34Å; I389-I391 PolarHBondContact O-N 3.39Å; I391-V393 PolarHBondContact O-N 3.25Å; I391-S394 WeakPolarHBondContact O-CB 3.29Å; I391-S394 PolarHBondContact O-N 3.39Å; I391-S394 VanDerWaalsContact O-N 3.15Å; I391-Q395 WeakPolarHBondContact O-CG 3.11Å; I391-Q395 PolarHBondContact O-N 2.66Å |
| 392 | D | 83.5 | Confident | 84.2 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 8% | 0.075 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.2 | -48.7 | -178.2 | 178.3 | 84 | 0 | 0 | 0 | 112.2 | H36 R323 E388 I389 S394 Q395 V396 | H36-D392 IonicContact CE1-OD1 3.71Å; H36-D392 PolarHBondContact CE1-OD1 2.64Å; H36-D392 IonicContact ND1-OD1 3.94Å; H36-D392 PolarHBondContact ND1-OD1 2.98Å; H36-D392 IonicContact NE2-OD1 3.91Å; R323-D392 IonicContact CZ-OD1 2.66Å; R323-D392 IonicContact CZ-OD2 2.85Å; R323-D392 IonicContact NE-OD2 2.86Å; R323-D392 IonicContact NH1-OD1 3.63Å; R323-D392 IonicContact NH1-OD2 3.27Å; R323-D392 PolarHBondContact NH1-OD2 2.95Å; R323-D392 IonicContact NH2-OD1 2.79Å; R323-D392 PolarHBondContact NH2-OD1 2.82Å; R323-D392 IonicContact NH2-OD2 3.29Å; R323-D392 PolarHBondContact NH2-OD2 3.48Å; E388-D392 PolarHBondContact O-N 3.24Å; E388-D392 VanDerWaalsContact O-N 3.15Å; I389-D392 PolarHBondContact O-N 2.63Å; D392-S394 PolarHBondContact O-N 3.48Å; D392-Q395 WeakPolarHBondContact O-CA 3.16Å; D392-Q395 WeakPolarHBondContact O-CB 3.43Å; D392-Q395 PolarHBondContact O-N 3.44Å; D392-V396 WeakPolarHBondContact O-CG2 3.38Å; D392-V396 PolarHBondContact O-N 3.07Å |
| 393 | V | 86.3 | Confident | 85.5 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -35.4 | 178.8 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | L316 M320 I389 I391 Q395 S397 K458 | L316-V393 HydrophobicContact CD1-CB 4.3Å; L316-V393 HydrophobicContact CD1-CG1 3.47Å; L316-V393 VanDerWaalsContact CD1-CG1 3.47Å; L316-V393 HydrophobicContact CD2-CG1 3.91Å; L316-V393 HydrophobicContact CG-CG1 3.66Å; M320-V393 HydrophobicContact CG-CB 4.31Å; M320-V393 HydrophobicContact CG-CG1 3.86Å; M320-V393 HydrophobicContact CG-CG2 3.45Å; M320-V393 VanDerWaalsContact CG-CG2 3.45Å; M320-V393 HydrophobicContact SD-CG1 3.7Å; M320-V393 HydrophobicContact SD-CG2 4.35Å; I389-V393 HydrophobicContact CG2-CG2 3.92Å; I389-V393 VanDerWaalsContact O-CB 3.25Å; I389-V393 WeakPolarHBondContact O-CB 3Å; I389-V393 WeakPolarHBondContact O-CG2 2.96Å; I389-V393 PolarHBondContact O-N 2.87Å; I391-V393 PolarHBondContact O-N 3.25Å; V393-Q395 VanDerWaalsContact C-N 3.35Å; V393-S397 WeakPolarHBondContact O-CB 3.31Å; V393-S397 PolarHBondContact O-N 2.79Å; V393-K458 HydrophobicContact CG1-CD 3.79Å; V393-K458 HydrophobicContact CG1-CG 3.69Å |
| 394 | S | 89.8 | Confident | 86.8 | Confident | 29 Ų | 29 | 57 Ų | 57 | 20% | 0.203 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.1 | -32.9 | 173 | -173.4 | 0 | 0 | 0 | 0 | 112.8 | H390 I391 D392 K398 | H390-S394 VanDerWaalsContact O-CB 3.24Å; H390-S394 WeakPolarHBondContact O-CB 3.09Å; H390-S394 PolarHBondContact O-N 3.42Å; I391-S394 WeakPolarHBondContact O-CB 3.29Å; I391-S394 PolarHBondContact O-N 3.39Å; I391-S394 VanDerWaalsContact O-N 3.15Å; D392-S394 PolarHBondContact O-N 3.48Å; S394-K398 WeakPolarHBondContact O-CG 3.28Å; S394-K398 PolarHBondContact O-N 2.96Å; S394-K398 VanDerWaalsContact O-N 3.09Å |
| 395 | Q | 88.6 | Confident | 87.8 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 24% | 0.243 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.3 | -46.7 | 175.2 | -70 | -178.3 | -21 | 0 | 0 | 110.9 | S33 I37 I391 D392 V393 S397 K398 L399 | S33-Q395 VanDerWaalsContact OG-CD 3.27Å; S33-Q395 PolarHBondContact OG-NE2 3.22Å; S33-Q395 PolarHBondContact OG-OE1 3.39Å; I37-Q395 HydrophobicContact CD1-CB 3.96Å; I37-Q395 HydrophobicContact CD1-CG 4.26Å; I37-Q395 HydrophobicContact CG1-CB 4.27Å; I391-Q395 WeakPolarHBondContact O-CG 3.11Å; I391-Q395 PolarHBondContact O-N 2.66Å; D392-Q395 WeakPolarHBondContact O-CA 3.16Å; D392-Q395 WeakPolarHBondContact O-CB 3.43Å; D392-Q395 PolarHBondContact O-N 3.44Å; V393-Q395 VanDerWaalsContact C-N 3.35Å; Q395-S397 VanDerWaalsContact C-N 3.34Å; Q395-S397 PolarHBondContact O-N 2.76Å; Q395-K398 WeakPolarHBondContact O-CB 3.41Å; Q395-K398 PolarHBondContact O-N 3.29Å; Q395-K398 VanDerWaalsContact O-N 3.14Å; Q395-L399 PolarHBondContact O-N 3.02Å |
| 396 | V | 88.3 | Confident | 88.5 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 174.7 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | V40 L316 D392 K398 L399 I400 | V40-V396 HydrophobicContact CG1-CG1 4.44Å; V40-V396 HydrophobicContact CG1-CG2 4.42Å; L316-V396 HydrophobicContact CD1-CB 4.31Å; L316-V396 HydrophobicContact CD1-CG1 4.21Å; D392-V396 WeakPolarHBondContact O-CG2 3.38Å; D392-V396 PolarHBondContact O-N 3.07Å; V396-K398 VanDerWaalsContact C-N 3.3Å; V396-K398 PolarHBondContact O-N 3Å; V396-L399 WeakPolarHBondContact O-CB 2.99Å; V396-L399 PolarHBondContact O-N 3Å; V396-L399 VanDerWaalsContact O-N 3.11Å; V396-I400 HydrophobicContact CG1-CD1 3.94Å; V396-I400 HydrophobicContact CG1-CG1 4.28Å; V396-I400 VanDerWaalsContact O-CG1 3.28Å; V396-I400 WeakPolarHBondContact O-CG1 3.49Å; V396-I400 PolarHBondContact O-N 3.27Å |
| 397 | S | 92.4 | Very high | 89.3 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -32.2 | 175.3 | 173 | 0 | 0 | 0 | 0 | 113.5 | V393 Q395 R401 | V393-S397 WeakPolarHBondContact O-CB 3.31Å; V393-S397 PolarHBondContact O-N 2.79Å; Q395-S397 VanDerWaalsContact C-N 3.34Å; Q395-S397 PolarHBondContact O-N 2.76Å; S397-R401 WeakPolarHBondContact O-CG 3.42Å; S397-R401 PolarHBondContact O-N 3.08Å; S397-R401 PolarHBondContact O-NE 2.9Å |
| 398 | K | 92.9 | Very high | 89.9 | Confident | 132 Ų | 132 | 42.6 Ų | 42.6 | 57% | 0.574 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -68.1 | -44.9 | 171 | -77 | 172.3 | -179.5 | -176.3 | 0 | 111 | S394 Q395 V396 R401 F402 | S394-K398 WeakPolarHBondContact O-CG 3.28Å; S394-K398 PolarHBondContact O-N 2.96Å; S394-K398 VanDerWaalsContact O-N 3.09Å; Q395-K398 WeakPolarHBondContact O-CB 3.41Å; Q395-K398 PolarHBondContact O-N 3.29Å; Q395-K398 VanDerWaalsContact O-N 3.14Å; V396-K398 VanDerWaalsContact C-N 3.3Å; V396-K398 PolarHBondContact O-N 3Å; K398-R401 PolarHBondContact O-N 3.18Å; K398-F402 PolarHBondContact O-N 2.93Å; K398-F402 VanDerWaalsContact O-N 3.16Å |
| 399 | L | 91.1 | Very high | 90.4 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 12% | 0.115 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 176.2 | 175.9 | 69 | 0 | 0 | 0 | 111.6 | I37 V40 A41 Q395 V396 R401 F402 L403 | I37-L399 HydrophobicContact CG2-CB 4.43Å; I37-L399 HydrophobicContact CG2-CD1 4.26Å; I37-L399 HydrophobicContact CG2-CD2 4.14Å; V40-L399 HydrophobicContact CB-CD2 4.3Å; V40-L399 HydrophobicContact CG1-CD2 3.96Å; A41-L399 HydrophobicContact CB-CD1 3.82Å; A41-L399 HydrophobicContact CB-CD2 3.75Å; A41-L399 HydrophobicContact CB-CG 4.34Å; Q395-L399 PolarHBondContact O-N 3.02Å; V396-L399 WeakPolarHBondContact O-CB 2.99Å; V396-L399 PolarHBondContact O-N 3Å; V396-L399 VanDerWaalsContact O-N 3.11Å; L399-R401 VanDerWaalsContact C-N 3.33Å; L399-R401 PolarHBondContact O-N 2.91Å; L399-F402 WeakPolarHBondContact O-CB 3.43Å; L399-F402 PolarHBondContact O-N 3.29Å; L399-F402 VanDerWaalsContact O-N 3.12Å; L399-L403 HydrophobicContact CD1-CD1 3.88Å; L399-L403 HydrophobicContact CD1-CG 4.07Å; L399-L403 HydrophobicContact CD2-CD1 4.34Å; L399-L403 HydrophobicContact CG-CD1 3.81Å; L399-L403 HydrophobicContact CG-CG 4.32Å; L399-L403 WeakPolarHBondContact O-CG 3.19Å; L399-L403 PolarHBondContact O-N 3.26Å |
| 400 | I | 93 | Very high | 91 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.8 | -46.5 | 178.4 | -67.5 | 170.9 | 0 | 0 | 0 | 111.1 | M44 F312 V396 F402 L403 C404 I450 L454 | M44-I400 HydrophobicContact CE-CD1 3.66Å; M44-I400 HydrophobicContact CE-CG1 3.45Å; M44-I400 VanDerWaalsContact CE-CG1 3.45Å; M44-I400 HydrophobicContact SD-CG1 4.14Å; F312-I400 HydrophobicContact CB-CD1 4.48Å; F312-I400 HydrophobicContact CB-CG2 3.77Å; F312-I400 HydrophobicContact CD1-CD1 4.47Å; F312-I400 HydrophobicContact CD1-CG1 4.27Å; F312-I400 HydrophobicContact CD1-CG2 3.72Å; F312-I400 HydrophobicContact CD2-CG2 3.69Å; F312-I400 HydrophobicContact CE1-CG2 4.14Å; F312-I400 HydrophobicContact CE2-CG2 4.11Å; F312-I400 HydrophobicContact CG-CG2 3.46Å; F312-I400 VanDerWaalsContact CG-CG2 3.46Å; F312-I400 HydrophobicContact CZ-CG2 4.3Å; V396-I400 HydrophobicContact CG1-CD1 3.94Å; V396-I400 HydrophobicContact CG1-CG1 4.28Å; V396-I400 VanDerWaalsContact O-CG1 3.28Å; V396-I400 WeakPolarHBondContact O-CG1 3.49Å; V396-I400 PolarHBondContact O-N 3.27Å; I400-F402 PolarHBondContact O-N 3.38Å; I400-L403 PolarHBondContact O-N 3.06Å; I400-C404 WeakPolarHBondContact O-CB 3.28Å; I400-C404 PolarHBondContact O-N 3.38Å; I400-I450 HydrophobicContact CG2-CG2 3.91Å; I400-L454 HydrophobicContact CB-CD1 3.97Å; I400-L454 HydrophobicContact CD1-CD2 3.78Å; I400-L454 HydrophobicContact CG2-CD1 3.7Å; I400-L454 HydrophobicContact CG2-CD2 4.2Å; I400-L454 HydrophobicContact CG2-CG 4.48Å |
| 401 | R | 93.8 | Very high | 91.4 | Very high | 86 Ų | 86 | 41.1 Ų | 41.1 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.9 | -34.9 | 178.4 | -75.4 | -178.3 | -70.6 | 161 | -3.2 | 112.5 | S397 K398 L399 C404 F447 C451 L454 | S397-R401 WeakPolarHBondContact O-CG 3.42Å; S397-R401 PolarHBondContact O-N 3.08Å; S397-R401 PolarHBondContact O-NE 2.9Å; K398-R401 PolarHBondContact O-N 3.18Å; L399-R401 VanDerWaalsContact C-N 3.33Å; L399-R401 PolarHBondContact O-N 2.91Å; R401-C404 PolarHBondContact O-SG 3.19Å; R401-F447 HydrophobicContact CB-CE2 4.49Å; R401-C451 VanDerWaalsContact CD-SG 3.58Å; R401-L454 HydrophobicContact CG-CD1 3.87Å |
| 402 | F | 92.3 | Very high | 91.7 | Very high | 157 Ų | 157 | 37.6 Ų | 37.6 | 69% | 0.689 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -70.6 | -44.9 | 174.3 | -179.9 | -98.3 | 0 | 0 | 0 | 112.1 | K398 L399 I400 C404 P406 | K398-F402 PolarHBondContact O-N 2.93Å; K398-F402 VanDerWaalsContact O-N 3.16Å; L399-F402 WeakPolarHBondContact O-CB 3.43Å; L399-F402 PolarHBondContact O-N 3.29Å; L399-F402 VanDerWaalsContact O-N 3.12Å; I400-F402 PolarHBondContact O-N 3.38Å; F402-C404 PolarHBondContact O-N 3.07Å; F402-P406 WeakPolarHBondContact O-CD 2.93Å |
| 403 | L | 91.8 | Very high | 92.1 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 9% | 0.094 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -74.1 | -23.6 | -177 | -68 | 177.4 | 0 | 0 | 0 | 114 | F45 L399 I400 V405 P406 L407 | F45-L403 HydrophobicContact CB-CD1 4.19Å; F45-L403 HydrophobicContact CD2-CB 4.15Å; F45-L403 HydrophobicContact CD2-CD1 4.26Å; F45-L403 HydrophobicContact CD2-CD2 3.76Å; F45-L403 HydrophobicContact CD2-CG 4.27Å; F45-L403 HydrophobicContact CE2-CD2 4.27Å; F45-L403 HydrophobicContact CG-CD2 4.33Å; L399-L403 HydrophobicContact CD1-CD1 3.88Å; L399-L403 HydrophobicContact CD1-CG 4.07Å; L399-L403 HydrophobicContact CD2-CD1 4.34Å; L399-L403 HydrophobicContact CG-CD1 3.81Å; L399-L403 HydrophobicContact CG-CG 4.32Å; L399-L403 WeakPolarHBondContact O-CG 3.19Å; L399-L403 PolarHBondContact O-N 3.26Å; I400-L403 PolarHBondContact O-N 3.06Å; L403-V405 PolarHBondContact O-N 2.91Å; L403-P406 WeakPolarHBondContact O-CD 3.36Å; L403-P406 WeakPolarHBondContact O-CG 3.47Å; L403-L407 VanDerWaalsContact O-CB 3.27Å; L403-L407 WeakPolarHBondContact O-CB 3.36Å; L403-L407 PolarHBondContact O-N 2.86Å; L403-L407 VanDerWaalsContact O-N 3.16Å |
| 404 | C | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.9 | -33.2 | -175.2 | 71.3 | 0 | 0 | 0 | 0 | 113.8 | F312 I400 R401 F402 L407 H408 I450 | F312-C404 HydrophobicContact CE2-CB 3.84Å; I400-C404 WeakPolarHBondContact O-CB 3.28Å; I400-C404 PolarHBondContact O-N 3.38Å; R401-C404 PolarHBondContact O-SG 3.19Å; F402-C404 PolarHBondContact O-N 3.07Å; C404-L407 PolarHBondContact O-N 2.98Å; C404-H408 PolarHBondContact O-CD2 3.15Å; C404-H408 PolarHBondContact O-N 3.3Å; C404-I450 HydrophobicContact CB-CD1 3.45Å; C404-I450 VanDerWaalsContact CB-CD1 3.45Å; C404-I450 HydrophobicContact CB-CG2 4.47Å |
| 405 | V | 93.8 | Very high | 92.5 | Very high | 61 Ų | 61 | 40.5 Ų | 40.5 | 37% | 0.37 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.9 | -56.1 | 178.7 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | L403 L407 H408 F409 V443 F447 | L403-V405 PolarHBondContact O-N 2.91Å; V405-L407 PolarHBondContact O-N 3.3Å; V405-H408 PolarHBondContact O-N 2.93Å; V405-F409 WeakPolarHBondContact O-CB 3.48Å; V405-F409 PolarHBondContact O-N 3.47Å; V405-V443 HydrophobicContact CG1-CG1 4.16Å; V405-F447 HydrophobicContact CG2-CD2 3.63Å; V405-F447 HydrophobicContact CG2-CE2 4.17Å; V405-F447 HydrophobicContact CG2-CG 4.41Å |
| 406 | P | 94.3 | Very high | 92.5 | Very high | 52 Ų | 52 | 39.5 Ų | 39.5 | 34% | 0.338 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63 | -33.5 | 176.5 | 24.3 | -32.9 | 0 | 0 | 0 | 111.8 | F402 L403 F409 I410 | F402-P406 WeakPolarHBondContact O-CD 2.93Å; L403-P406 WeakPolarHBondContact O-CD 3.36Å; L403-P406 WeakPolarHBondContact O-CG 3.47Å; P406-F409 PolarHBondContact O-N 3.06Å; P406-I410 WeakPolarHBondContact O-CD1 3.5Å; P406-I410 WeakPolarHBondContact O-CG1 3.37Å; P406-I410 PolarHBondContact O-N 3.27Å |
| 407 | L | 94.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.3 | -56.5 | 175.1 | 179.4 | 64.9 | 0 | 0 | 0 | 111.6 | F45 C48 L49 V308 F312 L403 C404 V405 F409 I410 L411 | F45-L407 HydrophobicContact CE2-CB 4.45Å; C48-L407 HydrophobicContact CB-CD2 4.22Å; L49-L407 HydrophobicContact CB-CD1 4.09Å; L49-L407 HydrophobicContact CD1-CD1 3.75Å; V308-L407 HydrophobicContact CG1-CD2 3.7Å; V308-L407 HydrophobicContact CG2-CD2 4.41Å; F312-L407 HydrophobicContact CE2-CD2 3.81Å; F312-L407 HydrophobicContact CZ-CD2 3.55Å; L403-L407 VanDerWaalsContact O-CB 3.27Å; L403-L407 WeakPolarHBondContact O-CB 3.36Å; L403-L407 PolarHBondContact O-N 2.86Å; L403-L407 VanDerWaalsContact O-N 3.16Å; C404-L407 PolarHBondContact O-N 2.98Å; V405-L407 PolarHBondContact O-N 3.3Å; L407-F409 VanDerWaalsContact C-N 3.27Å; L407-F409 PolarHBondContact O-N 3.26Å; L407-I410 PolarHBondContact O-N 3.25Å; L407-I410 VanDerWaalsContact O-N 3.17Å; L407-L411 HydrophobicContact CD1-CD1 4.15Å; L407-L411 HydrophobicContact CD1-CD2 4.5Å; L407-L411 HydrophobicContact CD1-CG 4.16Å; L407-L411 HydrophobicContact CG-CD1 4.04Å; L407-L411 HydrophobicContact CG-CG 4.37Å; L407-L411 VanDerWaalsContact O-CG 3.27Å; L407-L411 WeakPolarHBondContact O-CG 3.21Å; L407-L411 PolarHBondContact O-N 3.22Å |
| 408 | H | 94.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -37 | 179.8 | -80.5 | -70.1 | 0 | 0 | 0 | 112.4 | C404 V405 L411 T412 Y442 V443 I450 | C404-H408 PolarHBondContact O-CD2 3.15Å; C404-H408 PolarHBondContact O-N 3.3Å; V405-H408 PolarHBondContact O-N 2.93Å; H408-L411 PolarHBondContact O-N 3.4Å; H408-T412 PolarHBondContact O-N 3.41Å; H408-T412 PolarHBondContact O-OG1 2.94Å; H408-Y442 HydrophobicContact CB-CD1 4.34Å; H408-Y442 HydrophobicContact CB-CE1 3.88Å; H408-Y442 AromaticContact ND1-CE1 3.49Å; H408-Y442 WeakPolarHBondContact ND1-CE1 3.26Å; H408-Y442 AromaticContact ND1-CZ 3.6Å; H408-Y442 PolarHBondContact ND1-OH 3.5Å; H408-Y442 WeakPolarHBondContact O-CE1 3.46Å; H408-V443 HydrophobicContact CB-CG2 4.33Å; H408-I450 VanDerWaalsContact NE2-CD1 3.34Å; H408-I450 WeakPolarHBondContact NE2-CD1 3.31Å |
| 409 | F | 93.2 | Very high | 92.1 | Very high | 96 Ų | 96 | 37.9 Ų | 37.9 | 42% | 0.421 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.9 | -50.9 | 174.3 | -176.5 | -93.4 | 0 | 0 | 0 | 111.7 | V405 P406 L407 L411 T412 I413 L439 | V405-F409 WeakPolarHBondContact O-CB 3.48Å; V405-F409 PolarHBondContact O-N 3.47Å; P406-F409 PolarHBondContact O-N 3.06Å; L407-F409 VanDerWaalsContact C-N 3.27Å; L407-F409 PolarHBondContact O-N 3.26Å; F409-L411 VanDerWaalsContact C-N 3.34Å; F409-L411 PolarHBondContact O-N 3.03Å; F409-T412 PolarHBondContact O-N 3.14Å; F409-I413 HydrophobicContact CD1-CD1 3.86Å; F409-I413 HydrophobicContact CE1-CD1 3.39Å; F409-I413 HydrophobicContact CE1-CG1 4.48Å; F409-I413 HydrophobicContact CZ-CD1 3.97Å; F409-I413 PolarHBondContact O-N 2.79Å; F409-L439 HydrophobicContact CD2-CD1 4.02Å; F409-L439 HydrophobicContact CD2-CD2 4.23Å; F409-L439 HydrophobicContact CE2-CD1 4.39Å; F409-L439 HydrophobicContact CE2-CD2 3.87Å |
| 410 | I | 94 | Very high | 91.8 | Very high | 58 Ų | 58 | 41 Ų | 41 | 30% | 0.297 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 177.3 | -65.8 | 162.2 | 0 | 0 | 0 | 110.8 | F45 L49 P406 L407 T412 I413 V414 | F45-I410 HydrophobicContact CZ-CD1 4.36Å; L49-I410 HydrophobicContact CD1-CB 4.31Å; L49-I410 HydrophobicContact CD1-CD1 4.47Å; L49-I410 HydrophobicContact CD1-CG2 3.72Å; P406-I410 WeakPolarHBondContact O-CD1 3.5Å; P406-I410 WeakPolarHBondContact O-CG1 3.37Å; P406-I410 PolarHBondContact O-N 3.27Å; L407-I410 PolarHBondContact O-N 3.25Å; L407-I410 VanDerWaalsContact O-N 3.17Å; I410-T412 VanDerWaalsContact C-N 3.27Å; I410-T412 PolarHBondContact O-N 3.01Å; I410-I413 PolarHBondContact O-N 2.91Å; I410-I413 VanDerWaalsContact O-N 3.16Å; I410-V414 HydrophobicContact CG2-CG2 4.15Å; I410-V414 WeakPolarHBondContact O-CG2 3.39Å; I410-V414 PolarHBondContact O-N 2.65Å |
| 411 | L | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.5 | -33.5 | 179.5 | -66.7 | -178 | 0 | 0 | 0 | 113 | V53 V56 V308 L407 H408 F409 S415 | V53-L411 HydrophobicContact CG2-CD2 4.28Å; V56-L411 HydrophobicContact CG2-CB 4.08Å; V56-L411 HydrophobicContact CG2-CD2 4.19Å; V308-L411 HydrophobicContact CG2-CD1 3.62Å; L407-L411 HydrophobicContact CD1-CD1 4.15Å; L407-L411 HydrophobicContact CD1-CD2 4.5Å; L407-L411 HydrophobicContact CD1-CG 4.16Å; L407-L411 HydrophobicContact CG-CD1 4.04Å; L407-L411 HydrophobicContact CG-CG 4.37Å; L407-L411 VanDerWaalsContact O-CG 3.27Å; L407-L411 WeakPolarHBondContact O-CG 3.21Å; L407-L411 PolarHBondContact O-N 3.22Å; H408-L411 PolarHBondContact O-N 3.4Å; F409-L411 VanDerWaalsContact C-N 3.34Å; F409-L411 PolarHBondContact O-N 3.03Å; L411-S415 VanDerWaalsContact O-CB 3.24Å; L411-S415 WeakPolarHBondContact O-CB 3.23Å; L411-S415 PolarHBondContact O-N 3.47Å |
| 412 | T | 91.2 | Very high | 91 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | 175.4 | -46.4 | 0 | 0 | 0 | 0 | 110.8 | H408 F409 I410 S415 V416 L434 L439 Y442 | H408-T412 PolarHBondContact O-N 3.41Å; H408-T412 PolarHBondContact O-OG1 2.94Å; F409-T412 PolarHBondContact O-N 3.14Å; I410-T412 VanDerWaalsContact C-N 3.27Å; I410-T412 PolarHBondContact O-N 3.01Å; T412-S415 WeakPolarHBondContact O-CB 3.38Å; T412-S415 PolarHBondContact O-N 2.91Å; T412-V416 PolarHBondContact O-N 3.42Å; T412-V416 VanDerWaalsContact O-N 3.1Å; T412-L434 HydrophobicContact CG2-CD1 3.73Å; T412-L439 HydrophobicContact CG2-CD1 3.69Å; T412-Y442 WeakPolarHBondContact OG1-CD1 3.41Å; T412-Y442 VanDerWaalsContact OG1-CE1 3.27Å; T412-Y442 WeakPolarHBondContact OG1-CE1 3.2Å |
| 413 | I | 91.5 | Very high | 90.2 | Very high | 70 Ų | 70 | 42.5 Ų | 42.5 | 36% | 0.359 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62 | -49.8 | 175.6 | -64.9 | 170.5 | 0 | 0 | 0 | 110.3 | F409 I410 S415 V416 T417 L434 | F409-I413 HydrophobicContact CD1-CD1 3.86Å; F409-I413 HydrophobicContact CE1-CD1 3.39Å; F409-I413 HydrophobicContact CE1-CG1 4.48Å; F409-I413 HydrophobicContact CZ-CD1 3.97Å; F409-I413 PolarHBondContact O-N 2.79Å; I410-I413 PolarHBondContact O-N 2.91Å; I410-I413 VanDerWaalsContact O-N 3.16Å; I413-S415 PolarHBondContact O-N 3.31Å; I413-V416 PolarHBondContact O-N 3.48Å; I413-V416 VanDerWaalsContact O-N 3.15Å; I413-T417 PolarHBondContact O-N 3.42Å; I413-T417 PolarHBondContact O-OG1 3.43Å; I413-T417 VanDerWaalsContact O-OG1 3.14Å; I413-L434 HydrophobicContact CG1-CD2 4.24Å |
| 414 | V | 92.9 | Very high | 89 | Confident | 32 Ų | 32 | 47 Ų | 47 | 19% | 0.194 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.9 | -39.4 | 176.9 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | V53 V56 I410 V416 T417 V418 | V53-V414 HydrophobicContact CG1-CG1 4.21Å; V53-V414 HydrophobicContact CG2-CG1 4.24Å; V53-V414 HydrophobicContact CG2-CG2 4.41Å; V56-V414 HydrophobicContact CG1-CG1 4.08Å; I410-V414 HydrophobicContact CG2-CG2 4.15Å; I410-V414 WeakPolarHBondContact O-CG2 3.39Å; I410-V414 PolarHBondContact O-N 2.65Å; V414-V416 PolarHBondContact O-N 2.96Å; V414-T417 PolarHBondContact O-N 3.33Å; V414-V418 HydrophobicContact CG1-CG2 3.83Å; V414-V418 WeakPolarHBondContact O-CB 3.13Å; V414-V418 VanDerWaalsContact O-CG2 3.26Å; V414-V418 WeakPolarHBondContact O-CG2 3.34Å; V414-V418 PolarHBondContact O-N 3.39Å |
| 415 | S | 91.7 | Very high | 87.3 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 178.7 | -171.3 | 0 | 0 | 0 | 0 | 113.1 | R300 L301 L411 T412 I413 N419 | R300-S415 WeakPolarHBondContact CD-OG 3.29Å; R300-S415 WeakPolarHBondContact CG-OG 3.18Å; L301-S415 WeakPolarHBondContact CD2-OG 3.44Å; L411-S415 VanDerWaalsContact O-CB 3.24Å; L411-S415 WeakPolarHBondContact O-CB 3.23Å; L411-S415 PolarHBondContact O-N 3.47Å; T412-S415 WeakPolarHBondContact O-CB 3.38Å; T412-S415 PolarHBondContact O-N 2.91Å; I413-S415 PolarHBondContact O-N 3.31Å; S415-N419 WeakPolarHBondContact O-CB 3.44Å; S415-N419 PolarHBondContact O-N 3.21Å |
| 416 | V | 88.5 | Confident | 85.5 | Confident | 31 Ų | 31 | 56.8 Ų | 56.8 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 173.6 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | T412 I413 V414 Y420 L434 | T412-V416 PolarHBondContact O-N 3.42Å; T412-V416 VanDerWaalsContact O-N 3.1Å; I413-V416 PolarHBondContact O-N 3.48Å; I413-V416 VanDerWaalsContact O-N 3.15Å; V414-V416 PolarHBondContact O-N 2.96Å; V416-Y420 WeakPolarHBondContact O-CB 3.41Å; V416-Y420 PolarHBondContact O-N 3.44Å; V416-L434 HydrophobicContact CG2-CD1 3.85Å |
| 417 | T | 89.7 | Confident | 83.2 | Confident | 65 Ų | 65 | 58.9 Ų | 58.9 | 40% | 0.399 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63 | -49.5 | -179.6 | -55.6 | 0 | 0 | 0 | 0 | 112.4 | I413 V414 N419 Y420 Y421 | I413-T417 PolarHBondContact O-N 3.42Å; I413-T417 PolarHBondContact O-OG1 3.43Å; I413-T417 VanDerWaalsContact O-OG1 3.14Å; V414-T417 PolarHBondContact O-N 3.33Å; T417-N419 PolarHBondContact O-N 3.37Å; T417-Y420 WeakPolarHBondContact O-CB 3.42Å; T417-Y420 PolarHBondContact O-N 2.95Å; T417-Y421 HydrophobicContact CG2-CD2 3.93Å; T417-Y421 HydrophobicContact CG2-CE2 3.62Å; T417-Y421 WeakPolarHBondContact O-CD2 3.37Å; T417-Y421 PolarHBondContact O-N 3.07Å; T417-Y421 VanDerWaalsContact O-N 3.15Å |
| 418 | V | 90.6 | Very high | 80.7 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 17% | 0.17 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | -179.8 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | V57 C60 V414 Y420 Y421 L422 | V57-V418 HydrophobicContact CG2-CG1 4.15Å; V57-V418 HydrophobicContact CG2-CG2 4.31Å; C60-V418 HydrophobicContact CB-CG1 3.93Å; V414-V418 HydrophobicContact CG1-CG2 3.83Å; V414-V418 WeakPolarHBondContact O-CB 3.13Å; V414-V418 VanDerWaalsContact O-CG2 3.26Å; V414-V418 WeakPolarHBondContact O-CG2 3.34Å; V414-V418 PolarHBondContact O-N 3.39Å; V418-Y420 VanDerWaalsContact C-N 3.31Å; V418-Y420 PolarHBondContact O-N 2.94Å; V418-Y421 PolarHBondContact O-N 3.32Å; V418-L422 HydrophobicContact CG1-CD1 3.78Å; V418-L422 HydrophobicContact CG1-CG 4.35Å; V418-L422 WeakPolarHBondContact O-CG 3.36Å; V418-L422 PolarHBondContact O-N 3.44Å |
| 419 | N | 85.5 | Confident | 78 | Confident | 11 Ų | 11 | 73.6 Ų | 73.6 | 6% | 0.059 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.6 | -36.8 | 177 | 176.3 | 74.8 | 0 | 0 | 0 | 112.5 | D63 R300 S415 T417 L422 K423 | D63-N419 PolarHBondContact OD2-OD1 3.07Å; R300-N419 VanDerWaalsContact CZ-CB 3.45Å; R300-N419 VanDerWaalsContact CZ-OD1 3.29Å; R300-N419 VanDerWaalsContact NH1-CG 3.32Å; R300-N419 PolarHBondContact NH1-ND2 3.11Å; R300-N419 PolarHBondContact NH2-ND2 3.02Å; R300-N419 PolarHBondContact NH2-OD1 2.95Å; S415-N419 WeakPolarHBondContact O-CB 3.44Å; S415-N419 PolarHBondContact O-N 3.21Å; T417-N419 PolarHBondContact O-N 3.37Å; N419-L422 PolarHBondContact O-N 3.5Å; N419-K423 PolarHBondContact O-N 2.88Å; N419-K423 VanDerWaalsContact O-N 3.09Å; N419-K423 VanDerWaalsContact OD1-CE 3.28Å; N419-K423 WeakPolarHBondContact OD1-CE 3.29Å |
| 420 | Y | 83.5 | Confident | 75.7 | Confident | 88 Ų | 88 | 75 Ų | 75 | 35% | 0.345 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59 | -47.1 | 174.4 | 173.8 | -94.1 | 0 | 0 | 0 | 111.3 | V416 T417 V418 Q424 I431 | V416-Y420 WeakPolarHBondContact O-CB 3.41Å; V416-Y420 PolarHBondContact O-N 3.44Å; T417-Y420 WeakPolarHBondContact O-CB 3.42Å; T417-Y420 PolarHBondContact O-N 2.95Å; V418-Y420 VanDerWaalsContact C-N 3.31Å; V418-Y420 PolarHBondContact O-N 2.94Å; Y420-Q424 PolarHBondContact O-N 2.89Å; Y420-I431 HydrophobicContact CD2-CG1 3.93Å; Y420-I431 HydrophobicContact CE2-CG1 3.64Å |
| 421 | Y | 85.6 | Confident | 73.7 | Confident | 151 Ų | 151 | 77.8 Ų | 77.8 | 59% | 0.592 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67.7 | -39.3 | 178.4 | -75.6 | -68 | 0 | 0 | 0 | 113.2 | T417 V418 Q424 | T417-Y421 HydrophobicContact CG2-CD2 3.93Å; T417-Y421 HydrophobicContact CG2-CE2 3.62Å; T417-Y421 WeakPolarHBondContact O-CD2 3.37Å; T417-Y421 PolarHBondContact O-N 3.07Å; T417-Y421 VanDerWaalsContact O-N 3.15Å; V418-Y421 PolarHBondContact O-N 3.32Å; Y421-Q424 WeakPolarHBondContact O-CB 3.27Å; Y421-Q424 PolarHBondContact O-N 2.79Å |
| 422 | L | 83.9 | Confident | 71.7 | Confident | 58 Ų | 58 | 80.7 Ų | 80.7 | 30% | 0.304 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.4 | -30.5 | -179.5 | -73.8 | 171.7 | 0 | 0 | 0 | 113.6 | C60 V418 N419 | C60-L422 HydrophobicContact CB-CD1 3.59Å; V418-L422 HydrophobicContact CG1-CD1 3.78Å; V418-L422 HydrophobicContact CG1-CG 4.35Å; V418-L422 WeakPolarHBondContact O-CG 3.36Å; V418-L422 PolarHBondContact O-N 3.44Å; N419-L422 PolarHBondContact O-N 3.5Å |
| 423 | K | 76.8 | Confident | 70.1 | Confident | 67 Ų | 67 | 84.5 Ų | 84.5 | 29% | 0.291 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -90.9 | -3.3 | 178.1 | -68.6 | -171.3 | 179.8 | 179.3 | 0 | 113.6 | D63 N419 D425 N426 | D63-K423 IonicContact OD1-NZ 3.58Å; D63-K423 PolarHBondContact OD1-NZ 2.89Å; D63-K423 IonicContact OD2-NZ 2.77Å; D63-K423 PolarHBondContact OD2-NZ 3.43Å; D63-K423 VanDerWaalsContact OD2-NZ 3.16Å; N419-K423 PolarHBondContact O-N 2.88Å; N419-K423 VanDerWaalsContact O-N 3.09Å; N419-K423 VanDerWaalsContact OD1-CE 3.28Å; N419-K423 WeakPolarHBondContact OD1-CE 3.29Å; K423-D425 PolarHBondContact O-N 2.87Å; K423-D425 VanDerWaalsContact O-N 3.07Å; K423-N426 PolarHBondContact O-N 2.94Å |
| 424 | Q | 65.6 | Low | 68.9 | Low | 113 Ų | 113 | 84.4 Ų | 84.4 | 53% | 0.528 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.5 | -178.3 | -168.9 | 168.5 | 1.4 | 0 | 0 | 113 | Y420 Y421 | Y420-Q424 PolarHBondContact O-N 2.89Å; Y421-Q424 WeakPolarHBondContact O-CB 3.27Å; Y421-Q424 PolarHBondContact O-N 2.79Å |
| 425 | D | 57.9 | Low | 68.2 | Low | 150 Ų | 150 | 87.4 Ų | 87.4 | 80% | 0.802 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -14.4 | 177.8 | -73.6 | -19.1 | 0 | 0 | 0 | 114.5 | K423 | K423-D425 PolarHBondContact O-N 2.87Å; K423-D425 VanDerWaalsContact O-N 3.07Å |
| 426 | N | 56.3 | Low | 67.9 | Low | 115 Ų | 115 | 92.9 Ų | 92.9 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122 | -6.7 | -166 | -72.7 | -31.7 | 0 | 0 | 0 | 117 | K423 | K423-N426 PolarHBondContact O-N 2.94Š|
| 427 | S | 47.2 | Very low | 67.7 | Low | 97 Ų | 97 | 93.6 Ų | 93.6 | 68% | 0.678 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -164.8 | 146.7 | 175.8 | -78.8 | 0 | 0 | 0 | 0 | 114.2 | K429 | S427-K429 PolarHBondContact O-N 2.68Š|
| 428 | P | 40.4 | Very low | 67.7 | Low | 116 Ų | 116 | 92.4 Ų | 92.4 | 75% | 0.753 | 49% | 0.485 | S | S | * | . | trans | -78.3 | 123.4 | -176.3 | 30.9 | -31.8 | 0 | 0 | 0 | 113.2 | ||||
| 429 | K | 38.8 | Very low | 67.7 | Low | 194 Ų | 194 | 91.9 Ų | 91.9 | 84% | 0.843 | 48% | 0.481 | S | S | * | . | trans | 51.9 | 78.8 | 139.7 | -56.9 | -179.9 | -176.3 | 177 | 0 | 118 | S427 | S427-K429 PolarHBondContact O-N 2.68Š| ||
| 430 | T | 43.6 | Very low | 68 | Low | 125 Ų | 125 | 95.1 Ų | 95.1 | 77% | 0.767 | 50% | 0.497 | S | S | * | . | trans | -152 | 121.7 | 140.2 | 23.2 | 0 | 0 | 0 | 0 | 108.6 | S432 | T430-S432 PolarHBondContact O-N 3.14Å; T430-S432 VanDerWaalsContact O-N 3.09Å | ||
| 431 | I | 51.5 | Low | 68.5 | Low | 118 Ų | 118 | 91.1 Ų | 91.1 | 61% | 0.605 | 48% | 0.482 | S | S | * | . | trans | -62.8 | 112.8 | 162.3 | -64.7 | 168.1 | 0 | 0 | 0 | 104.4 | Y420 P433 | Y420-I431 HydrophobicContact CD2-CG1 3.93Å; Y420-I431 HydrophobicContact CE2-CG1 3.64Å; I431-P433 VanDerWaalsContact O-CD 3.3Å; I431-P433 WeakPolarHBondContact O-CD 3.24Å; I431-P433 VanDerWaalsContact O-N 3.09Å | ||
| 432 | S | 53.4 | Low | 68.9 | Low | 60 Ų | 60 | 83.9 Ų | 83.9 | 42% | 0.42 | 45% | 0.454 | S | S | . | . | trans | -59.7 | 117.1 | 169.4 | 22.2 | 0 | 0 | 0 | 0 | 106 | T430 L434 | T430-S432 PolarHBondContact O-N 3.14Å; T430-S432 VanDerWaalsContact O-N 3.09Å; S432-L434 PolarHBondContact O-N 3.43Å | ||
| 433 | P | 57.2 | Low | 69.4 | Low | 83 Ų | 83 | 82.3 Ų | 82.3 | 54% | 0.539 | 45% | 0.446 | S | S | . | . | trans | -57.6 | 146.1 | 179.1 | 22.6 | -28.7 | 0 | 0 | 0 | 108.1 | I431 H435 | I431-P433 VanDerWaalsContact O-CD 3.3Å; I431-P433 WeakPolarHBondContact O-CD 3.24Å; I431-P433 VanDerWaalsContact O-N 3.09Å; P433-H435 WeakPolarHBondContact CG-NE2 3.31Å; P433-H435 PolarHBondContact O-CD2 2.86Å; P433-H435 PolarHBondContact O-N 3.22Å | ||
| 434 | L | 66.7 | Low | 70.3 | Confident | 69 Ų | 69 | 82.3 Ų | 82.3 | 36% | 0.361 | 45% | 0.449 | S | S | . | . | trans | -62.2 | 92.4 | 170.7 | 178.5 | 70.5 | 0 | 0 | 0 | 107 | T412 I413 V416 S432 L436 L439 | T412-L434 HydrophobicContact CG2-CD1 3.73Å; I413-L434 HydrophobicContact CG1-CD2 4.24Å; V416-L434 HydrophobicContact CG2-CD1 3.85Å; S432-L434 PolarHBondContact O-N 3.43Å; L434-L436 PolarHBondContact O-N 2.93Å; L434-L439 HydrophobicContact CD1-CB 4.49Å; L434-L439 HydrophobicContact CD1-CD1 4.49Å; L434-L439 HydrophobicContact CD2-CD2 3.93Å; L434-L439 HydrophobicContact CG-CD2 4.39Å | ||
| 435 | H | 78.3 | Confident | 71.8 | Confident | 94 Ų | 94 | 76.9 Ų | 76.9 | 44% | 0.435 | 42% | 0.423 | S | S | . | . | trans | -72.6 | 129.6 | -176.9 | -70.2 | -95.9 | 0 | 0 | 0 | 108.9 | P433 D437 I438 L439 | P433-H435 WeakPolarHBondContact CG-NE2 3.31Å; P433-H435 PolarHBondContact O-CD2 2.86Å; P433-H435 PolarHBondContact O-N 3.22Å; H435-D437 WeakPolarHBondContact CB-OD1 3.49Å; H435-D437 IonicContact CG-OD1 3.48Å; H435-D437 PolarHBondContact O-N 3.09Å; H435-I438 HydrophobicContact CB-CD1 4.45Å; H435-I438 PolarHBondContact O-N 3.23Å; H435-I438 VanDerWaalsContact O-N 3.17Å; H435-L439 PolarHBondContact O-N 3.41Å | ||
| 436 | L | 84.3 | Confident | 73.6 | Confident | 118 Ų | 118 | 69.8 Ų | 69.8 | 62% | 0.618 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.6 | -27.3 | -177.5 | -154.9 | 94.6 | 0 | 0 | 0 | 111.6 | L434 I438 L439 I440 | L434-L436 PolarHBondContact O-N 2.93Å; L436-I438 PolarHBondContact O-N 3.41Å; L436-L439 PolarHBondContact O-N 3.36Å; L436-I440 HydrophobicContact CD1-CD1 4.5Å; L436-I440 HydrophobicContact CD2-CD1 3.41Å; L436-I440 VanDerWaalsContact CD2-CD1 3.41Å; L436-I440 HydrophobicContact CD2-CG1 4.43Å; L436-I440 HydrophobicContact CG-CD1 3.59Å; L436-I440 HydrophobicContact CG-CG1 4.08Å; L436-I440 WeakPolarHBondContact O-CB 3.41Å; L436-I440 WeakPolarHBondContact O-CG1 3.35Å; L436-I440 PolarHBondContact O-N 3.28Å |
| 437 | D | 85.2 | Confident | 75.5 | Confident | 46 Ų | 46 | 68.1 Ų | 68.1 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.2 | -19.6 | 177.6 | 66.1 | -6.5 | 0 | 0 | 0 | 114.4 | H435 P441 S513 M517 | H435-D437 WeakPolarHBondContact CB-OD1 3.49Å; H435-D437 IonicContact CG-OD1 3.48Å; H435-D437 PolarHBondContact O-N 3.09Å; D437-P441 WeakPolarHBondContact O-CD 2.88Å; D437-P441 WeakPolarHBondContact O-CG 3.3Å; D437-S513 PolarHBondContact O-OG 3.01Å; D437-M517 HydrophobicContact CB-CE 4.17Å; D437-M517 HydrophobicContact CB-SD 3.3Å; D437-M517 WeakPolarHBondContact CB-SD 3.29Å |
| 438 | I | 88.5 | Confident | 77.8 | Confident | 40 Ų | 40 | 66.1 Ų | 66.1 | 21% | 0.205 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -102.3 | -44 | 175.3 | -71.4 | 155.7 | 0 | 0 | 0 | 109.4 | I297 L301 H435 L436 I440 P441 Y442 L510 | I297-I438 HydrophobicContact CD1-CB 4.46Å; I297-I438 HydrophobicContact CD1-CD1 3.75Å; I297-I438 HydrophobicContact CD1-CG1 4.24Å; I297-I438 HydrophobicContact CD1-CG2 3.52Å; L301-I438 HydrophobicContact CD1-CG2 3.82Å; H435-I438 HydrophobicContact CB-CD1 4.45Å; H435-I438 PolarHBondContact O-N 3.23Å; H435-I438 VanDerWaalsContact O-N 3.17Å; L436-I438 PolarHBondContact O-N 3.41Å; I438-I440 PolarHBondContact O-N 3.1Å; I438-P441 WeakPolarHBondContact O-CD 3.43Å; I438-Y442 VanDerWaalsContact O-CB 3.3Å; I438-Y442 WeakPolarHBondContact O-CB 3.33Å; I438-Y442 PolarHBondContact O-N 3.26Å; I438-L510 HydrophobicContact CG1-CD2 4.42Å |
| 439 | L | 91.1 | Very high | 80.5 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.9 | -47.7 | -176 | 177.4 | 68.2 | 0 | 0 | 0 | 111.6 | F409 T412 L434 H435 L436 Y442 V443 | F409-L439 HydrophobicContact CD2-CD1 4.02Å; F409-L439 HydrophobicContact CD2-CD2 4.23Å; F409-L439 HydrophobicContact CE2-CD1 4.39Å; F409-L439 HydrophobicContact CE2-CD2 3.87Å; T412-L439 HydrophobicContact CG2-CD1 3.69Å; L434-L439 HydrophobicContact CD1-CB 4.49Å; L434-L439 HydrophobicContact CD1-CD1 4.49Å; L434-L439 HydrophobicContact CD2-CD2 3.93Å; L434-L439 HydrophobicContact CG-CD2 4.39Å; H435-L439 PolarHBondContact O-N 3.41Å; L436-L439 PolarHBondContact O-N 3.36Å; L439-Y442 PolarHBondContact O-N 2.91Å; L439-V443 HydrophobicContact CD1-CG2 4.03Å; L439-V443 WeakPolarHBondContact O-CG2 3.39Å; L439-V443 PolarHBondContact O-N 2.83Å |
| 440 | I | 92.4 | Very high | 83.2 | Confident | 79 Ų | 79 | 51.4 Ų | 51.4 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.8 | -52.6 | -177.9 | -69.8 | 174.9 | 0 | 0 | 0 | 110.7 | L436 I438 Y442 V443 I444 | L436-I440 HydrophobicContact CD1-CD1 4.5Å; L436-I440 HydrophobicContact CD2-CD1 3.41Å; L436-I440 VanDerWaalsContact CD2-CD1 3.41Å; L436-I440 HydrophobicContact CD2-CG1 4.43Å; L436-I440 HydrophobicContact CG-CD1 3.59Å; L436-I440 HydrophobicContact CG-CG1 4.08Å; L436-I440 WeakPolarHBondContact O-CB 3.41Å; L436-I440 WeakPolarHBondContact O-CG1 3.35Å; L436-I440 PolarHBondContact O-N 3.28Å; I438-I440 PolarHBondContact O-N 3.1Å; I440-Y442 VanDerWaalsContact C-N 3.31Å; I440-Y442 PolarHBondContact O-N 3.39Å; I440-V443 PolarHBondContact O-N 3.48Å; I440-I444 HydrophobicContact CG2-CD1 3.51Å; I440-I444 HydrophobicContact CG2-CG1 4.32Å; I440-I444 WeakPolarHBondContact O-CB 3.42Å; I440-I444 VanDerWaalsContact O-CG1 3.29Å; I440-I444 WeakPolarHBondContact O-CG1 3.14Å; I440-I444 PolarHBondContact O-N 3Å |
| 441 | P | 93.4 | Very high | 85.8 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -53.9 | -43.8 | 174.3 | -36.4 | 43.4 | 0 | 0 | 0 | 114.7 | D437 I438 A445 F509 L510 | D437-P441 WeakPolarHBondContact O-CD 2.88Å; D437-P441 WeakPolarHBondContact O-CG 3.3Å; I438-P441 WeakPolarHBondContact O-CD 3.43Å; P441-A445 WeakPolarHBondContact O-CB 3.29Å; P441-A445 PolarHBondContact O-N 3.39Å; P441-F509 HydrophobicContact CB-CB 3.63Å; P441-F509 HydrophobicContact CG-CB 4.32Å; P441-F509 WeakPolarHBondContact CG-O 3.35Å; P441-L510 HydrophobicContact CB-CD2 4.07Å; P441-L510 HydrophobicContact CB-CG 4.29Å; P441-L510 HydrophobicContact CG-CD2 4.39Å |
| 442 | Y | 94.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -48.3 | -178.5 | 178.9 | -99.7 | 0 | 0 | 0 | 112.2 | L301 I305 H408 T412 I438 L439 I440 A445 G446 F506 | L301-Y442 HydrophobicContact CB-CD2 3.95Å; L301-Y442 HydrophobicContact CB-CE2 3.84Å; L301-Y442 HydrophobicContact CD1-CD2 3.92Å; L301-Y442 HydrophobicContact CD1-CE2 4.38Å; L301-Y442 HydrophobicContact CD1-CG 4.28Å; L301-Y442 HydrophobicContact CD2-CD2 4.43Å; L301-Y442 HydrophobicContact CD2-CE2 4.09Å; L301-Y442 HydrophobicContact CG-CD2 4.33Å; L301-Y442 HydrophobicContact CG-CE2 4.32Å; I305-Y442 HydrophobicContact CB-CE2 3.83Å; I305-Y442 HydrophobicContact CD1-CD2 4.2Å; I305-Y442 HydrophobicContact CD1-CE2 4.27Å; H408-Y442 HydrophobicContact CB-CD1 4.34Å; H408-Y442 HydrophobicContact CB-CE1 3.88Å; H408-Y442 AromaticContact ND1-CE1 3.49Å; H408-Y442 WeakPolarHBondContact ND1-CE1 3.26Å; H408-Y442 AromaticContact ND1-CZ 3.6Å; H408-Y442 PolarHBondContact ND1-OH 3.5Å; H408-Y442 WeakPolarHBondContact O-CE1 3.46Å; T412-Y442 WeakPolarHBondContact OG1-CD1 3.41Å; T412-Y442 VanDerWaalsContact OG1-CE1 3.27Å; T412-Y442 WeakPolarHBondContact OG1-CE1 3.2Å; I438-Y442 VanDerWaalsContact O-CB 3.3Å; I438-Y442 WeakPolarHBondContact O-CB 3.33Å; I438-Y442 PolarHBondContact O-N 3.26Å; L439-Y442 PolarHBondContact O-N 2.91Å; I440-Y442 VanDerWaalsContact C-N 3.31Å; I440-Y442 PolarHBondContact O-N 3.39Å; Y442-A445 PolarHBondContact O-N 3.01Å; Y442-G446 PolarHBondContact O-N 3.01Å; Y442-F506 HydrophobicContact CD2-CD2 4.29Å; Y442-F506 AromaticContact CD2-CE2 3.96Å; Y442-F506 HydrophobicContact CD2-CE2 3.96Å; Y442-F506 HydrophobicContact CD2-CZ 4.18Å; Y442-F506 HydrophobicContact CG-CE2 4.41Å |
| 443 | V | 94.8 | Very high | 90 | Very high | 24 Ų | 24 | 41.7 Ų | 41.7 | 15% | 0.145 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.7 | -41.3 | -179 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | V405 H408 L439 I440 F447 | V405-V443 HydrophobicContact CG1-CG1 4.16Å; H408-V443 HydrophobicContact CB-CG2 4.33Å; L439-V443 HydrophobicContact CD1-CG2 4.03Å; L439-V443 WeakPolarHBondContact O-CG2 3.39Å; L439-V443 PolarHBondContact O-N 2.83Å; I440-V443 PolarHBondContact O-N 3.48Å; V443-F447 WeakPolarHBondContact O-CB 3.38Å; V443-F447 PolarHBondContact O-N 3.32Å |
| 444 | I | 95.5 | Very high | 91.8 | Very high | 67 Ų | 67 | 37.8 Ų | 37.8 | 34% | 0.344 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.4 | -47.2 | 177.5 | -66.9 | 174.9 | 0 | 0 | 0 | 110.7 | I440 F447 I448 F509 | I440-I444 HydrophobicContact CG2-CD1 3.51Å; I440-I444 HydrophobicContact CG2-CG1 4.32Å; I440-I444 WeakPolarHBondContact O-CB 3.42Å; I440-I444 VanDerWaalsContact O-CG1 3.29Å; I440-I444 WeakPolarHBondContact O-CG1 3.14Å; I440-I444 PolarHBondContact O-N 3Å; I444-F447 PolarHBondContact O-N 3.37Å; I444-I448 HydrophobicContact CG2-CD1 3.65Å; I444-I448 HydrophobicContact CG2-CG1 4.38Å; I444-I448 WeakPolarHBondContact O-CG1 3.19Å; I444-I448 PolarHBondContact O-N 3.39Å; I444-F509 HydrophobicContact CG2-CD1 4.11Å; I444-F509 HydrophobicContact CG2-CD2 4.14Å; I444-F509 HydrophobicContact CG2-CE1 3.68Å; I444-F509 HydrophobicContact CG2-CE2 3.73Å; I444-F509 HydrophobicContact CG2-CG 4.34Å; I444-F509 HydrophobicContact CG2-CZ 3.49Å; I444-F509 VanDerWaalsContact CG2-CZ 3.49Å |
| 445 | A | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.1 | -49.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I305 P441 Y442 F447 I448 Q449 L505 F506 F509 | I305-A445 HydrophobicContact CD1-CB 3.72Å; P441-A445 WeakPolarHBondContact O-CB 3.29Å; P441-A445 PolarHBondContact O-N 3.39Å; Y442-A445 PolarHBondContact O-N 3.01Å; A445-F447 PolarHBondContact O-N 3.43Å; A445-I448 PolarHBondContact O-N 3.42Å; A445-Q449 VanDerWaalsContact O-CB 3.24Å; A445-Q449 WeakPolarHBondContact O-CB 3.17Å; A445-Q449 PolarHBondContact O-N 3.2Å; A445-L505 HydrophobicContact CB-CB 4.02Å; A445-F506 HydrophobicContact CB-CB 4.1Å; A445-F509 HydrophobicContact CB-CD2 3.95Å |
| 446 | G | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y442 I450 | Y442-G446 PolarHBondContact O-N 3.01Å; G446-I450 WeakPolarHBondContact O-CB 3.25Å; G446-I450 WeakPolarHBondContact O-CD1 3.48Å; G446-I450 VanDerWaalsContact O-CG1 3.26Å; G446-I450 WeakPolarHBondContact O-CG1 3.47Å; G446-I450 PolarHBondContact O-N 2.88Å |
| 447 | F | 96.4 | Very high | 94.4 | Very high | 81 Ų | 81 | 34.2 Ų | 34.2 | 36% | 0.355 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 176.9 | 177.8 | -100.4 | 0 | 0 | 0 | 112.5 | R401 V405 V443 I444 A445 I450 C451 | R401-F447 HydrophobicContact CB-CE2 4.49Å; V405-F447 HydrophobicContact CG2-CD2 3.63Å; V405-F447 HydrophobicContact CG2-CE2 4.17Å; V405-F447 HydrophobicContact CG2-CG 4.41Å; V443-F447 WeakPolarHBondContact O-CB 3.38Å; V443-F447 PolarHBondContact O-N 3.32Å; I444-F447 PolarHBondContact O-N 3.37Å; A445-F447 PolarHBondContact O-N 3.43Å; F447-I450 PolarHBondContact O-N 3.48Å; F447-C451 WeakPolarHBondContact O-CB 3.47Å; F447-C451 PolarHBondContact O-N 3.35Å; F447-C451 PolarHBondContact O-SG 3.33Å |
| 448 | I | 96.8 | Very high | 94.8 | Very high | 55 Ų | 55 | 33.7 Ų | 33.7 | 28% | 0.282 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.3 | -45.4 | -179.3 | -67.4 | 172.9 | 0 | 0 | 0 | 110.4 | I444 A445 I450 C451 I452 L505 F509 | I444-I448 HydrophobicContact CG2-CD1 3.65Å; I444-I448 HydrophobicContact CG2-CG1 4.38Å; I444-I448 WeakPolarHBondContact O-CG1 3.19Å; I444-I448 PolarHBondContact O-N 3.39Å; A445-I448 PolarHBondContact O-N 3.42Å; I448-I450 PolarHBondContact O-N 3.07Å; I448-C451 WeakPolarHBondContact O-CB 3.38Å; I448-C451 PolarHBondContact O-N 2.88Å; I448-I452 HydrophobicContact CG2-CD1 3.79Å; I448-I452 HydrophobicContact CG2-CG1 4.46Å; I448-I452 WeakPolarHBondContact O-CG1 3.41Å; I448-I452 PolarHBondContact O-N 3.31Å; I448-L505 HydrophobicContact CB-CD1 4.06Å; I448-L505 HydrophobicContact CG2-CD1 3.65Å; I448-L505 HydrophobicContact CG2-CD2 4.48Å; I448-F509 HydrophobicContact CD1-CE2 3.75Å; I448-F509 HydrophobicContact CD1-CZ 3.55Å |
| 449 | Q | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54.1 | -52.8 | 175.7 | 178.8 | -160.1 | -4.2 | 0 | 0 | 110.8 | I305 A445 C451 I452 L453 G498 I501 L505 | I305-Q449 PolarHBondContact O-NE2 3.39Å; I305-Q449 VanDerWaalsContact O-NE2 3.15Å; I305-Q449 PolarHBondContact O-OE1 3.42Å; I305-Q449 VanDerWaalsContact O-OE1 3.08Å; A445-Q449 VanDerWaalsContact O-CB 3.24Å; A445-Q449 WeakPolarHBondContact O-CB 3.17Å; A445-Q449 PolarHBondContact O-N 3.2Å; Q449-C451 VanDerWaalsContact C-N 3.32Å; Q449-C451 PolarHBondContact O-N 3.39Å; Q449-I452 PolarHBondContact O-N 3.4Å; Q449-I452 VanDerWaalsContact O-N 3.16Å; Q449-L453 HydrophobicContact CG-CD1 3.84Å; Q449-L453 HydrophobicContact CG-CG 4.32Å; Q449-L453 WeakPolarHBondContact O-CB 3.31Å; Q449-L453 WeakPolarHBondContact O-CG 3.28Å; Q449-L453 PolarHBondContact O-N 3.08Å; Q449-G498 PolarHBondContact NE2-O 2.82Å; Q449-I501 HydrophobicContact CB-CG2 4.44Å; Q449-I501 HydrophobicContact CG-CG2 4.3Å; Q449-L505 HydrophobicContact CB-CD1 4.23Å |
| 450 | I | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 179.5 | -70.6 | 165.1 | 0 | 0 | 0 | 111 | V308 F312 I400 C404 H408 G446 F447 I448 I452 L453 L454 | V308-I450 HydrophobicContact CG1-CD1 4.14Å; F312-I450 HydrophobicContact CD2-CD1 3.67Å; F312-I450 HydrophobicContact CD2-CG1 4.15Å; F312-I450 HydrophobicContact CD2-CG2 4.32Å; F312-I450 HydrophobicContact CE2-CD1 3.91Å; I400-I450 HydrophobicContact CG2-CG2 3.91Å; C404-I450 HydrophobicContact CB-CD1 3.45Å; C404-I450 VanDerWaalsContact CB-CD1 3.45Å; C404-I450 HydrophobicContact CB-CG2 4.47Å; H408-I450 VanDerWaalsContact NE2-CD1 3.34Å; H408-I450 WeakPolarHBondContact NE2-CD1 3.31Å; G446-I450 WeakPolarHBondContact O-CB 3.25Å; G446-I450 WeakPolarHBondContact O-CD1 3.48Å; G446-I450 VanDerWaalsContact O-CG1 3.26Å; G446-I450 WeakPolarHBondContact O-CG1 3.47Å; G446-I450 PolarHBondContact O-N 2.88Å; F447-I450 PolarHBondContact O-N 3.48Å; I448-I450 PolarHBondContact O-N 3.07Å; I450-I452 VanDerWaalsContact C-N 3.32Å; I450-I452 PolarHBondContact O-N 3.02Å; I450-L453 PolarHBondContact O-N 3.31Å; I450-L454 HydrophobicContact CG2-CD1 3.61Å; I450-L454 HydrophobicContact CG2-CG 4.01Å; I450-L454 WeakPolarHBondContact O-CB 3.43Å; I450-L454 WeakPolarHBondContact O-CG 3.36Å; I450-L454 PolarHBondContact O-N 3.16Å |
| 451 | C | 96.8 | Very high | 95.2 | Very high | 27 Ų | 27 | 34.4 Ų | 34.4 | 18% | 0.182 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60 | -41.1 | 176.9 | -74.7 | 0 | 0 | 0 | 0 | 112.8 | R401 F447 I448 Q449 K455 | R401-C451 VanDerWaalsContact CD-SG 3.58Å; F447-C451 WeakPolarHBondContact O-CB 3.47Å; F447-C451 PolarHBondContact O-N 3.35Å; F447-C451 PolarHBondContact O-SG 3.33Å; I448-C451 WeakPolarHBondContact O-CB 3.38Å; I448-C451 PolarHBondContact O-N 2.88Å; Q449-C451 VanDerWaalsContact C-N 3.32Å; Q449-C451 PolarHBondContact O-N 3.39Å; C451-K455 WeakPolarHBondContact O-CG 3.47Å; C451-K455 PolarHBondContact O-N 2.77Å |
| 452 | I | 96.8 | Very high | 94.9 | Very high | 71 Ų | 71 | 36.2 Ų | 36.2 | 36% | 0.364 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -68.6 | -49.2 | 177.2 | -65.5 | 166.7 | 0 | 0 | 0 | 109.7 | I448 Q449 I450 L454 K455 F456 I501 L505 | I448-I452 HydrophobicContact CG2-CD1 3.79Å; I448-I452 HydrophobicContact CG2-CG1 4.46Å; I448-I452 WeakPolarHBondContact O-CG1 3.41Å; I448-I452 PolarHBondContact O-N 3.31Å; Q449-I452 PolarHBondContact O-N 3.4Å; Q449-I452 VanDerWaalsContact O-N 3.16Å; I450-I452 VanDerWaalsContact C-N 3.32Å; I450-I452 PolarHBondContact O-N 3.02Å; I452-L454 PolarHBondContact O-N 3.25Å; I452-K455 PolarHBondContact O-N 2.96Å; I452-F456 WeakPolarHBondContact O-CB 3.3Å; I452-F456 PolarHBondContact O-N 3.18Å; I452-I501 HydrophobicContact CD1-CG2 4.2Å; I452-I501 HydrophobicContact CG2-CD1 4.03Å; I452-L505 HydrophobicContact CD1-CD1 4.48Å |
| 453 | L | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -41.6 | -177.5 | -70.9 | 178.9 | 0 | 0 | 0 | 113.1 | A313 Q449 I450 K455 F456 A457 T494 A497 | A313-L453 HydrophobicContact CB-CB 4.09Å; Q449-L453 HydrophobicContact CG-CD1 3.84Å; Q449-L453 HydrophobicContact CG-CG 4.32Å; Q449-L453 WeakPolarHBondContact O-CB 3.31Å; Q449-L453 WeakPolarHBondContact O-CG 3.28Å; Q449-L453 PolarHBondContact O-N 3.08Å; I450-L453 PolarHBondContact O-N 3.31Å; L453-K455 VanDerWaalsContact C-N 3.29Å; L453-K455 PolarHBondContact O-N 3.43Å; L453-F456 PolarHBondContact O-N 3.36Å; L453-A457 WeakPolarHBondContact O-CB 3.4Å; L453-A457 PolarHBondContact O-N 3.41Å; L453-T494 HydrophobicContact CD2-CG2 4.23Å; L453-T494 WeakPolarHBondContact CD2-O 3.02Å; L453-A497 HydrophobicContact CD2-CB 4.48Å |
| 454 | L | 95.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.4 | -33.2 | 177.9 | -66.3 | 171.4 | 0 | 0 | 0 | 112.3 | F312 L316 I400 R401 I450 I452 K458 | F312-L454 HydrophobicContact CB-CD2 4.48Å; L316-L454 HydrophobicContact CB-CD2 4.38Å; L316-L454 HydrophobicContact CD2-CB 4.39Å; L316-L454 HydrophobicContact CD2-CD2 3.89Å; I400-L454 HydrophobicContact CB-CD1 3.97Å; I400-L454 HydrophobicContact CD1-CD2 3.78Å; I400-L454 HydrophobicContact CG2-CD1 3.7Å; I400-L454 HydrophobicContact CG2-CD2 4.2Å; I400-L454 HydrophobicContact CG2-CG 4.48Å; R401-L454 HydrophobicContact CG-CD1 3.87Å; I450-L454 HydrophobicContact CG2-CD1 3.61Å; I450-L454 HydrophobicContact CG2-CG 4.01Å; I450-L454 WeakPolarHBondContact O-CB 3.43Å; I450-L454 WeakPolarHBondContact O-CG 3.36Å; I450-L454 PolarHBondContact O-N 3.16Å; I452-L454 PolarHBondContact O-N 3.25Å; L454-K458 VanDerWaalsContact O-CE 3.29Å; L454-K458 WeakPolarHBondContact O-CE 3.17Å; L454-K458 WeakPolarHBondContact O-CG 3.44Å; L454-K458 PolarHBondContact O-N 2.92Å |
| 455 | K | 95 | Very high | 93.9 | Very high | 147 Ų | 147 | 41.3 Ų | 41.3 | 64% | 0.639 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -69.9 | -45.4 | 173.2 | -73.3 | 179.9 | -179.9 | -179.5 | 0 | 110.6 | C451 I452 L453 K458 W459 | C451-K455 WeakPolarHBondContact O-CG 3.47Å; C451-K455 PolarHBondContact O-N 2.77Å; I452-K455 PolarHBondContact O-N 2.96Å; L453-K455 VanDerWaalsContact C-N 3.29Å; L453-K455 PolarHBondContact O-N 3.43Å; K455-K458 PolarHBondContact O-N 2.9Å; K455-W459 PolarHBondContact O-N 3.35Å; K455-W459 VanDerWaalsContact O-N 3.15Å |
| 456 | F | 95.6 | Very high | 93.4 | Very high | 58 Ų | 58 | 48 Ų | 48 | 25% | 0.254 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 179.3 | -175.6 | -102.9 | 0 | 0 | 0 | 112.2 | I452 L453 K458 W459 I460 V493 T494 | I452-F456 WeakPolarHBondContact O-CB 3.3Å; I452-F456 PolarHBondContact O-N 3.18Å; L453-F456 PolarHBondContact O-N 3.36Å; F456-K458 VanDerWaalsContact C-N 3.34Å; F456-K458 PolarHBondContact O-N 3.22Å; F456-W459 AromaticContact CD2-CE3 3.95Å; F456-W459 HydrophobicContact CD2-CE3 3.95Å; F456-W459 HydrophobicContact CD2-CZ3 4.2Å; F456-W459 AromaticContact CE2-CE3 3.8Å; F456-W459 HydrophobicContact CE2-CE3 3.8Å; F456-W459 AromaticContact CE2-CZ3 3.6Å; F456-W459 HydrophobicContact CE2-CZ3 3.6Å; F456-W459 HydrophobicContact CZ-CZ3 4.31Å; F456-W459 PolarHBondContact O-N 3.04Å; F456-I460 HydrophobicContact CE1-CB 4.41Å; F456-I460 HydrophobicContact CE1-CD1 3.91Å; F456-I460 HydrophobicContact CE1-CG2 4.44Å; F456-I460 HydrophobicContact CZ-CD1 3.93Å; F456-I460 WeakPolarHBondContact O-CG2 3.45Å; F456-I460 PolarHBondContact O-N 3.27Å; F456-V493 HydrophobicContact CE1-CG1 3.92Å; F456-V493 HydrophobicContact CZ-CG1 3.82Å; F456-T494 HydrophobicContact CD1-CG2 4.15Å |
| 457 | A | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -53.2 | -46.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A313 L316 I317 L453 I460 V461 T494 | A313-A457 HydrophobicContact CB-CB 4.41Å; L316-A457 HydrophobicContact CD2-CB 4.33Å; I317-A457 HydrophobicContact CD1-CB 4.13Å; I317-A457 HydrophobicContact CG1-CB 3.9Å; L453-A457 WeakPolarHBondContact O-CB 3.4Å; L453-A457 PolarHBondContact O-N 3.41Å; A457-I460 WeakPolarHBondContact O-CG2 3.43Å; A457-V461 WeakPolarHBondContact O-CG2 3.35Å; A457-V461 PolarHBondContact O-N 3.09Å; A457-T494 HydrophobicContact CB-CG2 4.18Å |
| 458 | K | 93.7 | Very high | 91.9 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 16% | 0.157 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.9 | -69.7 | -177.7 | -64.8 | 178.2 | 0 | 112.1 | L316 M320 V393 L454 K455 F456 L462 | L316-K458 HydrophobicContact CD2-CD 4.31Å; L316-K458 HydrophobicContact CD2-CG 3.72Å; M320-K458 HydrophobicContact SD-CB 4.42Å; M320-K458 HydrophobicContact SD-CG 4.11Å; V393-K458 HydrophobicContact CG1-CD 3.79Å; V393-K458 HydrophobicContact CG1-CG 3.69Å; L454-K458 VanDerWaalsContact O-CE 3.29Å; L454-K458 WeakPolarHBondContact O-CE 3.17Å; L454-K458 WeakPolarHBondContact O-CG 3.44Å; L454-K458 PolarHBondContact O-N 2.92Å; K455-K458 PolarHBondContact O-N 2.9Å; F456-K458 VanDerWaalsContact C-N 3.34Å; F456-K458 PolarHBondContact O-N 3.22Å; K458-L462 WeakPolarHBondContact O-CB 3.33Å; K458-L462 VanDerWaalsContact O-CG 3.31Å; K458-L462 WeakPolarHBondContact O-CG 3.48Å; K458-L462 PolarHBondContact O-N 2.98Å |
| 459 | W | 93.5 | Very high | 90.8 | Very high | 135 Ų | 135 | 52 Ų | 52 | 51% | 0.511 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.5 | -47.4 | -177.9 | 173.2 | 81.3 | 0 | 0 | 0 | 111.9 | K455 F456 L462 K463 | K455-W459 PolarHBondContact O-N 3.35Å; K455-W459 VanDerWaalsContact O-N 3.15Å; F456-W459 AromaticContact CD2-CE3 3.95Å; F456-W459 HydrophobicContact CD2-CE3 3.95Å; F456-W459 HydrophobicContact CD2-CZ3 4.2Å; F456-W459 AromaticContact CE2-CE3 3.8Å; F456-W459 HydrophobicContact CE2-CE3 3.8Å; F456-W459 AromaticContact CE2-CZ3 3.6Å; F456-W459 HydrophobicContact CE2-CZ3 3.6Å; F456-W459 HydrophobicContact CZ-CZ3 4.31Å; F456-W459 PolarHBondContact O-N 3.04Å; W459-L462 PolarHBondContact O-N 3.48Å; W459-K463 HydrophobicContact CH2-CD 3.81Å; W459-K463 HydrophobicContact CZ2-CD 3.53Å; W459-K463 HydrophobicContact CZ3-CD 4.43Å; W459-K463 VanDerWaalsContact O-CB 3.28Å; W459-K463 WeakPolarHBondContact O-CB 3.47Å; W459-K463 PolarHBondContact O-N 2.97Å |
| 460 | I | 93.8 | Very high | 89.6 | Confident | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.072 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.8 | -42.8 | -176.1 | -166.1 | 169.1 | 0 | 0 | 0 | 111.6 | F456 A457 L462 K463 L464 A490 V493 | F456-I460 HydrophobicContact CE1-CB 4.41Å; F456-I460 HydrophobicContact CE1-CD1 3.91Å; F456-I460 HydrophobicContact CE1-CG2 4.44Å; F456-I460 HydrophobicContact CZ-CD1 3.93Å; F456-I460 WeakPolarHBondContact O-CG2 3.45Å; F456-I460 PolarHBondContact O-N 3.27Å; A457-I460 WeakPolarHBondContact O-CG2 3.43Å; I460-L462 PolarHBondContact O-N 3.43Å; I460-K463 PolarHBondContact O-N 2.91Å; I460-L464 HydrophobicContact CG1-CD1 3.94Å; I460-L464 HydrophobicContact CG1-CG 4.23Å; I460-L464 WeakPolarHBondContact O-CB 3.24Å; I460-L464 VanDerWaalsContact O-CG 3.31Å; I460-L464 WeakPolarHBondContact O-CG 3.43Å; I460-L464 PolarHBondContact O-N 3.28Å; I460-A490 HydrophobicContact CG2-CB 4.19Å; I460-V493 HydrophobicContact CD1-CB 3.75Å; I460-V493 HydrophobicContact CD1-CG1 3.77Å; I460-V493 HydrophobicContact CD1-CG2 4.38Å |
| 461 | V | 91.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 177.7 | 175.1 | 0 | 0 | 0 | 0 | 111 | I317 M320 T321 L324 A457 K463 W465 I486 A490 | I317-V461 HydrophobicContact CB-CG2 4.18Å; I317-V461 HydrophobicContact CG1-CG2 3.83Å; I317-V461 HydrophobicContact CG2-CG2 3.81Å; M320-V461 HydrophobicContact CB-CG1 3.85Å; M320-V461 HydrophobicContact CE-CB 3.87Å; M320-V461 HydrophobicContact CE-CG1 3.89Å; M320-V461 HydrophobicContact SD-CB 4.19Å; M320-V461 HydrophobicContact SD-CG1 4.4Å; M320-V461 HydrophobicContact SD-CG2 4.46Å; T321-V461 HydrophobicContact CG2-CG1 4.12Å; L324-V461 HydrophobicContact CD1-CG1 3.78Å; A457-V461 WeakPolarHBondContact O-CG2 3.35Å; A457-V461 PolarHBondContact O-N 3.09Å; V461-K463 VanDerWaalsContact C-N 3.33Å; V461-K463 PolarHBondContact O-N 2.8Å; V461-W465 WeakPolarHBondContact O-CB 3.16Å; V461-W465 PolarHBondContact O-N 3.23Å; V461-I486 HydrophobicContact CG1-CG2 4.48Å; V461-A490 HydrophobicContact CG2-CB 3.84Å |
| 462 | L | 88.3 | Confident | 86.9 | Confident | 43 Ų | 43 | 64 Ų | 64 | 23% | 0.225 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 177.4 | -71.4 | 173.7 | 0 | 0 | 0 | 112.2 | M320 I386 K458 W459 I460 K466 | M320-L462 HydrophobicContact CE-CD2 4.23Å; M320-L462 HydrophobicContact CE-CG 3.9Å; I386-L462 HydrophobicContact CG2-CD2 4.41Å; K458-L462 WeakPolarHBondContact O-CB 3.33Å; K458-L462 VanDerWaalsContact O-CG 3.31Å; K458-L462 WeakPolarHBondContact O-CG 3.48Å; K458-L462 PolarHBondContact O-N 2.98Å; W459-L462 PolarHBondContact O-N 3.48Å; I460-L462 PolarHBondContact O-N 3.43Å; L462-K466 WeakPolarHBondContact O-CB 3.36Å; L462-K466 VanDerWaalsContact O-CG 3.3Å; L462-K466 WeakPolarHBondContact O-CG 3.19Å; L462-K466 PolarHBondContact O-N 3.15Å |
| 463 | K | 90.5 | Very high | 85.1 | Confident | 118 Ų | 118 | 67.2 Ų | 67.2 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.5 | -49.3 | 178.3 | -173.1 | 176.5 | -179.8 | -173.9 | 0 | 111.4 | W459 I460 V461 W465 K466 Y467 | W459-K463 HydrophobicContact CH2-CD 3.81Å; W459-K463 HydrophobicContact CZ2-CD 3.53Å; W459-K463 HydrophobicContact CZ3-CD 4.43Å; W459-K463 VanDerWaalsContact O-CB 3.28Å; W459-K463 WeakPolarHBondContact O-CB 3.47Å; W459-K463 PolarHBondContact O-N 2.97Å; I460-K463 PolarHBondContact O-N 2.91Å; V461-K463 VanDerWaalsContact C-N 3.33Å; V461-K463 PolarHBondContact O-N 2.8Å; K463-W465 VanDerWaalsContact C-N 3.31Å; K463-W465 PolarHBondContact O-N 3.48Å; K463-K466 PolarHBondContact O-N 3.42Å; K463-Y467 WeakPolarHBondContact O-CB 3.27Å; K463-Y467 PolarHBondContact O-N 3.28Å |
| 464 | L | 89 | Confident | 83.4 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 176.2 | -71.6 | 173.7 | 0 | 0 | 0 | 111.3 | I460 Y467 L468 I486 A490 | I460-L464 HydrophobicContact CG1-CD1 3.94Å; I460-L464 HydrophobicContact CG1-CG 4.23Å; I460-L464 WeakPolarHBondContact O-CB 3.24Å; I460-L464 VanDerWaalsContact O-CG 3.31Å; I460-L464 WeakPolarHBondContact O-CG 3.43Å; I460-L464 PolarHBondContact O-N 3.28Å; L464-Y467 PolarHBondContact O-N 2.88Å; L464-L468 VanDerWaalsContact O-CB 3.31Å; L464-L468 WeakPolarHBondContact O-CB 3.29Å; L464-L468 PolarHBondContact O-N 2.97Å; L464-I486 HydrophobicContact CB-CD1 4.2Å; L464-I486 HydrophobicContact CB-CG1 4.34Å; L464-I486 HydrophobicContact CB-CG2 4.28Å; L464-I486 HydrophobicContact CD1-CG2 4.41Å; L464-A490 HydrophobicContact CD1-CB 3.99Å |
| 465 | W | 84.4 | Confident | 81.5 | Confident | 30 Ų | 30 | 76.7 Ų | 76.7 | 11% | 0.114 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66 | -41.5 | 177.4 | -179.5 | 75.9 | 0 | 0 | 0 | 112.8 | L324 I386 V461 K463 L468 H469 I486 | L324-W465 HydrophobicContact CD1-CB 4.06Å; L324-W465 HydrophobicContact CD1-CG 3.86Å; L324-W465 HydrophobicContact CD2-CD2 3.98Å; L324-W465 HydrophobicContact CD2-CG 4.07Å; L324-W465 HydrophobicContact CD2-CZ2 4.45Å; I386-W465 HydrophobicContact CD1-CH2 3.19Å; I386-W465 HydrophobicContact CD1-CZ2 4.12Å; I386-W465 HydrophobicContact CD1-CZ3 3.5Å; I386-W465 HydrophobicContact CG1-CH2 3.95Å; I386-W465 HydrophobicContact CG1-CZ3 4.19Å; V461-W465 WeakPolarHBondContact O-CB 3.16Å; V461-W465 PolarHBondContact O-N 3.23Å; K463-W465 VanDerWaalsContact C-N 3.31Å; K463-W465 PolarHBondContact O-N 3.48Å; W465-L468 WeakPolarHBondContact O-CB 3.32Å; W465-L468 PolarHBondContact O-N 3.46Å; W465-H469 WeakPolarHBondContact O-CB 3.44Å; W465-H469 PolarHBondContact O-N 3.3Å; W465-I486 HydrophobicContact CB-CD1 4.11Å |
| 466 | K | 84.9 | Confident | 79.3 | Confident | 142 Ų | 142 | 75.1 Ų | 75.1 | 62% | 0.617 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.2 | -44.6 | 173.9 | -78.8 | -180 | 178.5 | -173.5 | 0 | 112 | L462 K463 L468 H469 F470 | L462-K466 WeakPolarHBondContact O-CB 3.36Å; L462-K466 VanDerWaalsContact O-CG 3.3Å; L462-K466 WeakPolarHBondContact O-CG 3.19Å; L462-K466 PolarHBondContact O-N 3.15Å; K463-K466 PolarHBondContact O-N 3.42Å; K466-L468 VanDerWaalsContact C-N 3.31Å; K466-L468 PolarHBondContact O-N 3.47Å; K466-H469 PolarHBondContact O-N 2.92Å; K466-F470 WeakPolarHBondContact O-CB 3.19Å; K466-F470 PolarHBondContact O-N 2.9Å |
| 467 | Y | 83.5 | Confident | 76.9 | Confident | 134 Ų | 134 | 79.7 Ų | 79.7 | 53% | 0.525 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.8 | -46.9 | 175.2 | 177.5 | -103.3 | 0 | 0 | 0 | 110.8 | K463 L464 H469 F470 T471 | K463-Y467 WeakPolarHBondContact O-CB 3.27Å; K463-Y467 PolarHBondContact O-N 3.28Å; L464-Y467 PolarHBondContact O-N 2.88Å; Y467-H469 PolarHBondContact O-N 3.5Å; Y467-F470 PolarHBondContact O-N 3.37Å; Y467-T471 PolarHBondContact O-N 2.95Å; Y467-T471 PolarHBondContact O-OG1 3.49Å |
| 468 | L | 77.2 | Confident | 74.7 | Confident | 23 Ų | 23 | 85 Ų | 85 | 12% | 0.12 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 177.3 | -174.1 | 69.3 | 0 | 0 | 0 | 112.7 | L464 W465 K466 T471 K472 I481 L483 I486 | L464-L468 VanDerWaalsContact O-CB 3.31Å; L464-L468 WeakPolarHBondContact O-CB 3.29Å; L464-L468 PolarHBondContact O-N 2.97Å; W465-L468 WeakPolarHBondContact O-CB 3.32Å; W465-L468 PolarHBondContact O-N 3.46Å; K466-L468 VanDerWaalsContact C-N 3.31Å; K466-L468 PolarHBondContact O-N 3.47Å; L468-T471 PolarHBondContact O-N 3.28Å; L468-K472 WeakPolarHBondContact O-CB 3.25Å; L468-K472 PolarHBondContact O-N 3.04Å; L468-I481 HydrophobicContact CD1-CB 3.27Å; L468-I481 HydrophobicContact CD1-CD1 4.24Å; L468-I481 HydrophobicContact CD1-CG1 4.35Å; L468-I481 HydrophobicContact CD1-CG2 3.15Å; L468-L483 HydrophobicContact CD2-CD1 3.77Å; L468-I486 HydrophobicContact CB-CD1 4.27Å; L468-I486 HydrophobicContact CD2-CD1 3.75Å; L468-I486 HydrophobicContact CD2-CG1 4.31Å |
| 469 | H | 72.3 | Confident | 72.5 | Confident | 61 Ų | 61 | 88.6 Ų | 88.6 | 28% | 0.282 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | -179.7 | -166.8 | -78.1 | 0 | 0 | 0 | 111.9 | W465 K466 Y467 K472 Q473 | W465-H469 WeakPolarHBondContact O-CB 3.44Å; W465-H469 PolarHBondContact O-N 3.3Å; K466-H469 PolarHBondContact O-N 2.92Å; Y467-H469 PolarHBondContact O-N 3.5Å; H469-K472 PolarHBondContact O-N 3.46Å; H469-Q473 PolarHBondContact O-N 2.94Å |
| 470 | F | 72.1 | Confident | 70.5 | Confident | 127 Ų | 127 | 84.5 Ų | 84.5 | 56% | 0.557 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.5 | -47.4 | 175.9 | -176.4 | -101 | 0 | 0 | 0 | 111.3 | K466 Y467 K472 Q473 L474 | K466-F470 WeakPolarHBondContact O-CB 3.19Å; K466-F470 PolarHBondContact O-N 2.9Å; Y467-F470 PolarHBondContact O-N 3.37Å; F470-K472 VanDerWaalsContact C-N 3.3Å; F470-K472 PolarHBondContact O-N 2.74Å; F470-Q473 PolarHBondContact O-N 3.4Å; F470-Q473 VanDerWaalsContact O-N 3.07Å; F470-L474 HydrophobicContact CD1-CD1 3.85Å; F470-L474 HydrophobicContact CD2-CD1 4.28Å; F470-L474 HydrophobicContact CE1-CD1 3.5Å; F470-L474 HydrophobicContact CE2-CD1 3.96Å; F470-L474 HydrophobicContact CG-CD1 4.24Å; F470-L474 HydrophobicContact CZ-CD1 3.56Å; F470-L474 WeakPolarHBondContact O-CD1 3.3Å; F470-L474 PolarHBondContact O-N 2.63Å |
| 471 | T | 70.3 | Confident | 68.8 | Low | 23 Ų | 23 | 85.3 Ų | 85.3 | 14% | 0.141 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64 | -35.1 | 178 | -52.6 | 0 | 0 | 0 | 0 | 112.4 | Y467 L468 Q473 L474 N475 I481 | Y467-T471 PolarHBondContact O-N 2.95Å; Y467-T471 PolarHBondContact O-OG1 3.49Å; L468-T471 PolarHBondContact O-N 3.28Å; T471-Q473 VanDerWaalsContact C-N 3.28Å; T471-Q473 PolarHBondContact O-N 3.19Å; T471-L474 PolarHBondContact O-N 2.94Å; T471-N475 PolarHBondContact O-N 3.01Å; T471-I481 HydrophobicContact CG2-CD1 3.67Å |
| 472 | K | 66.9 | Low | 67.5 | Low | 129 Ų | 129 | 85.4 Ų | 85.4 | 56% | 0.561 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.7 | -29.7 | 174.5 | -170.2 | 175.3 | -179.4 | 177.9 | 0 | 112.9 | L468 H469 F470 | L468-K472 WeakPolarHBondContact O-CB 3.25Å; L468-K472 PolarHBondContact O-N 3.04Å; H469-K472 PolarHBondContact O-N 3.46Å; F470-K472 VanDerWaalsContact C-N 3.3Å; F470-K472 PolarHBondContact O-N 2.74Å |
| 473 | Q | 59.5 | Low | 67 | Low | 139 Ų | 139 | 83.7 Ų | 83.7 | 65% | 0.65 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -75.9 | -31.4 | 175.5 | -75.3 | -178.6 | -40.5 | 0 | 0 | 112.5 | H469 F470 T471 | H469-Q473 PolarHBondContact O-N 2.94Å; F470-Q473 PolarHBondContact O-N 3.4Å; F470-Q473 VanDerWaalsContact O-N 3.07Å; T471-Q473 VanDerWaalsContact C-N 3.28Å; T471-Q473 PolarHBondContact O-N 3.19Å |
| 474 | L | 59.1 | Low | 66.4 | Low | 114 Ų | 114 | 78.1 Ų | 78.1 | 60% | 0.597 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -78.7 | -37.9 | 176.3 | -87.3 | 93.3 | 0 | 0 | 0 | 113.2 | F470 T471 | F470-L474 HydrophobicContact CD1-CD1 3.85Å; F470-L474 HydrophobicContact CD2-CD1 4.28Å; F470-L474 HydrophobicContact CE1-CD1 3.5Å; F470-L474 HydrophobicContact CE2-CD1 3.96Å; F470-L474 HydrophobicContact CG-CD1 4.24Å; F470-L474 HydrophobicContact CZ-CD1 3.56Å; F470-L474 WeakPolarHBondContact O-CD1 3.3Å; F470-L474 PolarHBondContact O-N 2.63Å; T471-L474 PolarHBondContact O-N 2.94Å |
| 475 | N | 56.2 | Low | 66.3 | Low | 88 Ų | 88 | 76.1 Ų | 76.1 | 47% | 0.471 | 38% | 0.376 | S | S | . | . | trans | -102.3 | 86.9 | -176.8 | -68.9 | -22.6 | 0 | 0 | 0 | 110.4 | T471 H477 | T471-N475 PolarHBondContact O-N 3.01Å; N475-H477 PolarHBondContact O-N 3.29Å | ||
| 476 | S | 49 | Very low | 66.5 | Low | 114 Ų | 114 | 74.9 Ų | 74.9 | 80% | 0.797 | 37% | 0.372 | S | S | * | . | trans | -66.6 | -16.5 | 173.1 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 477 | H | 44.7 | Very low | 66.7 | Low | 154 Ų | 154 | 68.1 Ų | 68.1 | 71% | 0.713 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -92.8 | 106.1 | 175.8 | -92.4 | -78.6 | 0 | 0 | 0 | 111.8 | N475 N479 | N475-H477 PolarHBondContact O-N 3.29Å; H477-N479 PolarHBondContact O-N 2.66Å |
| 478 | D | 47.9 | Very low | 67.1 | Low | 112 Ų | 112 | 62 Ų | 62 | 60% | 0.599 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 35.1 | -7.3 | 151.6 | -86.2 | -46.4 | 0 | 0 | 0 | 124.1 | R258 V480 | R258-D478 IonicContact CZ-OD1 3.62Å; R258-D478 IonicContact NH1-OD1 3.31Å; R258-D478 PolarHBondContact NH1-OD1 3.13Å; R258-D478 PolarHBondContact NH2-O 2.83Å; R258-D478 IonicContact NH2-OD1 3.91Å; R258-D478 PolarHBondContact NH2-OD1 3.02Å; D478-V480 PolarHBondContact O-N 3.26Å |
| 479 | N | 47.2 | Very low | 67.8 | Low | 111 Ų | 111 | 61.2 Ų | 61.2 | 59% | 0.594 | 32% | 0.315 | S | S | * | . | trans | -80.1 | 66.8 | 172.2 | -76 | -27.1 | 0 | 0 | 0 | 109.5 | H477 I481 | H477-N479 PolarHBondContact O-N 2.66Å; N479-I481 VanDerWaalsContact C-N 3.32Å; N479-I481 PolarHBondContact O-N 3.3Å | ||
| 480 | V | 51.9 | Low | 68.8 | Low | 49 Ų | 49 | 58.3 Ų | 58.3 | 30% | 0.297 | 30% | 0.301 | S | S | . | . | trans | -66.2 | 95.1 | 172.9 | 179.9 | 0 | 0 | 0 | 0 | 107.2 | D478 S482 | D478-V480 PolarHBondContact O-N 3.26Å; V480-S482 PolarHBondContact O-N 2.98Å | ||
| 481 | I | 57.4 | Low | 69.9 | Low | 32 Ų | 32 | 52.2 Ų | 52.2 | 16% | 0.164 | 28% | 0.275 | C | S | . | . | trans | -54.4 | 117.9 | 165.6 | -62.3 | 167.7 | 0 | 0 | 0 | 106 | E269 L468 T471 N479 | E269-I481 HydrophobicContact CG-CG2 4.29Å; L468-I481 HydrophobicContact CD1-CB 3.27Å; L468-I481 HydrophobicContact CD1-CD1 4.24Å; L468-I481 HydrophobicContact CD1-CG1 4.35Å; L468-I481 HydrophobicContact CD1-CG2 3.15Å; T471-I481 HydrophobicContact CG2-CD1 3.67Å; N479-I481 VanDerWaalsContact C-N 3.32Å; N479-I481 PolarHBondContact O-N 3.3Å | ||
| 482 | S | 65.9 | Low | 71 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | trans | -72.1 | 133.6 | -170.5 | -176 | 0 | 0 | 0 | 0 | 109.3 | S259 I261 V480 A484 S485 | S259-S482 PolarHBondContact O-OG 3.33Å; I261-S482 WeakPolarHBondContact O-CB 3.39Å; I261-S482 PolarHBondContact O-OG 3.47Å; V480-S482 PolarHBondContact O-N 2.98Å; S482-A484 PolarHBondContact O-N 3.08Å; S482-A484 VanDerWaalsContact O-N 3.11Å; S482-A484 WeakPolarHBondContact OG-CB 3.41Å; S482-A484 PolarHBondContact OG-N 3.48Å; S482-S485 WeakPolarHBondContact O-CB 3.45Å; S482-S485 PolarHBondContact O-N 3.31Å; S482-S485 PolarHBondContact O-OG 2.74Å | ||
| 483 | L | 76.4 | Confident | 72.4 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.4 | 176.8 | -169.9 | 57.7 | 0 | 0 | 0 | 111.1 | S259 H325 L468 S485 I486 | S259-L483 PolarHBondContact O-N 3.44Å; H325-L483 HydrophobicContact CB-CD2 4Å; H325-L483 VanDerWaalsContact CD2-CD2 3.41Å; H325-L483 WeakPolarHBondContact CD2-CD2 3.16Å; H325-L483 VanDerWaalsContact CE1-CB 3.44Å; H325-L483 WeakPolarHBondContact CE1-CB 3.19Å; H325-L483 WeakPolarHBondContact ND1-CD2 3.33Å; H325-L483 VanDerWaalsContact NE2-CG 3.26Å; H325-L483 WeakPolarHBondContact NE2-CG 3.5Å; L468-L483 HydrophobicContact CD2-CD1 3.77Å; L483-S485 PolarHBondContact O-N 2.85Å; L483-I486 HydrophobicContact CD1-CB 4.33Å; L483-I486 HydrophobicContact CD1-CD1 3.57Å; L483-I486 HydrophobicContact CD1-CG1 4Å; L483-I486 WeakPolarHBondContact O-CB 3.44Å; L483-I486 PolarHBondContact O-N 3.2Å |
| 484 | A | 79.5 | Confident | 74.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -44.7 | -41.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S259 T266 S482 I486 D487 F488 | S259-A484 PolarHBondContact O-N 3.14Å; T266-A484 HydrophobicContact CG2-CB 4.31Å; S482-A484 PolarHBondContact O-N 3.08Å; S482-A484 VanDerWaalsContact O-N 3.11Å; S482-A484 WeakPolarHBondContact OG-CB 3.41Å; S482-A484 PolarHBondContact OG-N 3.48Å; A484-I486 PolarHBondContact O-N 3.13Å; A484-D487 PolarHBondContact O-N 2.9Å; A484-F488 VanDerWaalsContact O-CD2 3.29Å; A484-F488 WeakPolarHBondContact O-CD2 3.28Å; A484-F488 PolarHBondContact O-N 3.07Å |
| 485 | S | 85.4 | Confident | 75.7 | Confident | 7 Ų | 7 | 34.3 Ų | 34.3 | 5% | 0.049 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.4 | -28.3 | -178.6 | 62.7 | 0 | 0 | 0 | 0 | 112.1 | S482 L483 S489 | S482-S485 WeakPolarHBondContact O-CB 3.45Å; S482-S485 PolarHBondContact O-N 3.31Å; S482-S485 PolarHBondContact O-OG 2.74Å; L483-S485 PolarHBondContact O-N 2.85Å; S485-S489 WeakPolarHBondContact O-CB 3.48Å; S485-S489 PolarHBondContact O-N 3.31Å; S485-S489 PolarHBondContact O-OG 3.23Å |
| 486 | I | 88.6 | Confident | 77.6 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.6 | -44.1 | 177.4 | -60.6 | -161.2 | 0 | 0 | 0 | 110.4 | T321 V461 L464 W465 L468 L483 A484 S489 A490 | T321-I486 HydrophobicContact CG2-CG2 3.85Å; V461-I486 HydrophobicContact CG1-CG2 4.48Å; L464-I486 HydrophobicContact CB-CD1 4.2Å; L464-I486 HydrophobicContact CB-CG1 4.34Å; L464-I486 HydrophobicContact CB-CG2 4.28Å; L464-I486 HydrophobicContact CD1-CG2 4.41Å; W465-I486 HydrophobicContact CB-CD1 4.11Å; L468-I486 HydrophobicContact CB-CD1 4.27Å; L468-I486 HydrophobicContact CD2-CD1 3.75Å; L468-I486 HydrophobicContact CD2-CG1 4.31Å; L483-I486 HydrophobicContact CD1-CB 4.33Å; L483-I486 HydrophobicContact CD1-CD1 3.57Å; L483-I486 HydrophobicContact CD1-CG1 4Å; L483-I486 WeakPolarHBondContact O-CB 3.44Å; L483-I486 PolarHBondContact O-N 3.2Å; A484-I486 PolarHBondContact O-N 3.13Å; I486-S489 PolarHBondContact O-N 3.31Å; I486-A490 WeakPolarHBondContact O-CB 3.36Å; I486-A490 PolarHBondContact O-N 3.33Å |
| 487 | D | 89 | Confident | 79.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.8 | -55.7 | 176.4 | -78.7 | -25.4 | 0 | 0 | 0 | 110.5 | T321 A484 S489 I491 | T321-D487 WeakPolarHBondContact CB-OD1 3.24Å; T321-D487 WeakPolarHBondContact CG2-OD1 3.39Å; T321-D487 PolarHBondContact OG1-OD1 2.9Å; A484-D487 PolarHBondContact O-N 2.9Å; D487-S489 PolarHBondContact O-N 2.88Å; D487-I491 HydrophobicContact CB-CD1 4.42Å; D487-I491 WeakPolarHBondContact O-CB 3.43Å; D487-I491 WeakPolarHBondContact O-CD1 3.35Å; D487-I491 WeakPolarHBondContact O-CG1 3.36Å; D487-I491 PolarHBondContact O-N 2.98Å |
| 488 | F | 91.8 | Very high | 82.2 | Confident | 5 Ų | 5 | 18 Ų | 18 | 2% | 0.022 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.5 | -44.2 | -178.3 | -76.1 | -69.4 | 0 | 0 | 0 | 112.6 | A95 T121 F124 I125 L128 T270 A484 A492 | A95-F488 HydrophobicContact CB-CD1 3.45Å; A95-F488 VanDerWaalsContact CB-CD1 3.45Å; A95-F488 HydrophobicContact CB-CE1 3.4Å; A95-F488 VanDerWaalsContact CB-CE1 3.4Å; A95-F488 HydrophobicContact CB-CG 4.22Å; A95-F488 HydrophobicContact CB-CZ 4.16Å; T121-F488 HydrophobicContact CG2-CZ 4.01Å; F124-F488 HydrophobicContact CD1-CD2 4.47Å; F124-F488 HydrophobicContact CD1-CE1 4.24Å; F124-F488 AromaticContact CD1-CE2 3.78Å; F124-F488 HydrophobicContact CD1-CE2 3.78Å; F124-F488 AromaticContact CD1-CZ 3.66Å; F124-F488 HydrophobicContact CD1-CZ 3.66Å; F124-F488 HydrophobicContact CE1-CD1 4.41Å; F124-F488 AromaticContact CE1-CD2 3.88Å; F124-F488 HydrophobicContact CE1-CD2 3.88Å; F124-F488 HydrophobicContact CE1-CE1 4.22Å; F124-F488 AromaticContact CE1-CE2 3.65Å; F124-F488 HydrophobicContact CE1-CE2 3.65Å; F124-F488 HydrophobicContact CE1-CG 4.26Å; F124-F488 AromaticContact CE1-CZ 3.84Å; F124-F488 HydrophobicContact CE1-CZ 3.84Å; I125-F488 HydrophobicContact CG2-CE1 3.63Å; I125-F488 HydrophobicContact CG2-CZ 3.92Å; L128-F488 HydrophobicContact CD1-CD1 4.48Å; T270-F488 HydrophobicContact CG2-CB 3.7Å; T270-F488 HydrophobicContact CG2-CG 4.27Å; A484-F488 VanDerWaalsContact O-CD2 3.29Å; A484-F488 WeakPolarHBondContact O-CD2 3.28Å; A484-F488 PolarHBondContact O-N 3.07Å; F488-A492 WeakPolarHBondContact O-CB 3.25Å; F488-A492 PolarHBondContact O-N 3.37Å |
| 489 | S | 92.9 | Very high | 84.5 | Confident | 6 Ų | 6 | 13.2 Ų | 13.2 | 4% | 0.042 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -71.8 | -47.4 | -176.4 | -55.2 | 0 | 0 | 0 | 0 | 112.4 | P273 S485 I486 D487 V493 | P273-S489 WeakPolarHBondContact CG-OG 3.37Å; S485-S489 WeakPolarHBondContact O-CB 3.48Å; S485-S489 PolarHBondContact O-N 3.31Å; S485-S489 PolarHBondContact O-OG 3.23Å; I486-S489 PolarHBondContact O-N 3.31Å; D487-S489 PolarHBondContact O-N 2.88Å; S489-V493 WeakPolarHBondContact O-CG2 3.06Å; S489-V493 PolarHBondContact O-N 3.46Å; S489-V493 VanDerWaalsContact O-N 3.13Å |
| 490 | A | 93.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66.7 | -44 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I317 I460 V461 L464 I486 T494 | I317-A490 HydrophobicContact CD1-CB 4.21Å; I317-A490 WeakPolarHBondContact CD1-O 3.36Å; I317-A490 HydrophobicContact CG2-CB 3.81Å; I460-A490 HydrophobicContact CG2-CB 4.19Å; V461-A490 HydrophobicContact CG2-CB 3.84Å; L464-A490 HydrophobicContact CD1-CB 3.99Å; I486-A490 WeakPolarHBondContact O-CB 3.36Å; I486-A490 PolarHBondContact O-N 3.33Å; A490-T494 WeakPolarHBondContact O-CB 3.49Å; A490-T494 PolarHBondContact O-N 3.45Å; A490-T494 VanDerWaalsContact O-N 3.13Å; A490-T494 PolarHBondContact O-OG1 3.18Å |
| 491 | I | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.1 | -56.1 | 177.7 | -66 | 168 | 0 | 0 | 0 | 108.7 | V94 A95 I317 D487 V493 T494 T495 | V94-I491 HydrophobicContact CB-CG2 4.41Å; V94-I491 HydrophobicContact CG1-CD1 4.29Å; V94-I491 HydrophobicContact CG1-CG2 4.48Å; A95-I491 HydrophobicContact CB-CD1 4Å; I317-I491 HydrophobicContact CB-CG1 4.42Å; I317-I491 HydrophobicContact CD1-CG1 4.47Å; I317-I491 HydrophobicContact CG2-CG1 3.86Å; D487-I491 HydrophobicContact CB-CD1 4.42Å; D487-I491 WeakPolarHBondContact O-CB 3.43Å; D487-I491 WeakPolarHBondContact O-CD1 3.35Å; D487-I491 WeakPolarHBondContact O-CG1 3.36Å; D487-I491 PolarHBondContact O-N 2.98Å; I491-V493 PolarHBondContact O-N 3.28Å; I491-T494 PolarHBondContact O-N 3.26Å; I491-T494 VanDerWaalsContact O-N 3.13Å; I491-T495 HydrophobicContact CG2-CG2 4.08Å; I491-T495 WeakPolarHBondContact O-CG2 3.48Å; I491-T495 PolarHBondContact O-N 3.32Å; I491-T495 PolarHBondContact O-OG1 3.49Å |
| 492 | A | 94.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 8.3 Ų | 8.3 | 3% | 0.025 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -56.4 | -47.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N91 A277 F488 T494 T495 G496 | N91-A492 HydrophobicContact CB-CB 4.27Å; A277-A492 HydrophobicContact CB-CB 4.11Å; A277-A492 WeakPolarHBondContact CB-O 3.29Å; F488-A492 WeakPolarHBondContact O-CB 3.25Å; F488-A492 PolarHBondContact O-N 3.37Å; A492-T494 VanDerWaalsContact C-N 3.34Å; A492-T494 PolarHBondContact O-N 3.43Å; A492-T495 PolarHBondContact O-OG1 3.11Å; A492-G496 PolarHBondContact O-N 3.43Å |
| 493 | V | 95 | Very high | 92.1 | Very high | 17 Ų | 17 | 8.2 Ų | 8.2 | 10% | 0.103 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -68.5 | -37.6 | -179 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | P273 L276 M280 F456 I460 S489 I491 A497 | P273-V493 HydrophobicContact CB-CG2 3.73Å; L276-V493 HydrophobicContact CD2-CG1 4.3Å; L276-V493 HydrophobicContact CD2-CG2 4.38Å; M280-V493 HydrophobicContact CE-CG1 4.36Å; M280-V493 WeakPolarHBondContact CE-O 3.33Å; F456-V493 HydrophobicContact CE1-CG1 3.92Å; F456-V493 HydrophobicContact CZ-CG1 3.82Å; I460-V493 HydrophobicContact CD1-CB 3.75Å; I460-V493 HydrophobicContact CD1-CG1 3.77Å; I460-V493 HydrophobicContact CD1-CG2 4.38Å; S489-V493 WeakPolarHBondContact O-CG2 3.06Å; S489-V493 PolarHBondContact O-N 3.46Å; S489-V493 VanDerWaalsContact O-N 3.13Å; I491-V493 PolarHBondContact O-N 3.28Å; V493-A497 WeakPolarHBondContact O-CB 3.35Å; V493-A497 PolarHBondContact O-N 3.09Å |
| 494 | T | 95.3 | Very high | 93 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.006 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -72.5 | -42 | -176.8 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | A313 I317 L453 F456 A457 A490 I491 A492 G498 | A313-T494 HydrophobicContact CB-CG2 3.46Å; A313-T494 VanDerWaalsContact CB-CG2 3.46Å; I317-T494 HydrophobicContact CD1-CG2 4.04Å; L453-T494 HydrophobicContact CD2-CG2 4.23Å; L453-T494 WeakPolarHBondContact CD2-O 3.02Å; F456-T494 HydrophobicContact CD1-CG2 4.15Å; A457-T494 HydrophobicContact CB-CG2 4.18Å; A490-T494 WeakPolarHBondContact O-CB 3.49Å; A490-T494 PolarHBondContact O-N 3.45Å; A490-T494 VanDerWaalsContact O-N 3.13Å; A490-T494 PolarHBondContact O-OG1 3.18Å; I491-T494 PolarHBondContact O-N 3.26Å; I491-T494 VanDerWaalsContact O-N 3.13Å; A492-T494 VanDerWaalsContact C-N 3.34Å; A492-T494 PolarHBondContact O-N 3.43Å; T494-G498 PolarHBondContact O-N 3.13Å |
| 495 | T | 93.8 | Very high | 93.9 | Very high | 8 Ų | 8 | 11.4 Ų | 11.4 | 5% | 0.049 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.2 | -46 | 175.3 | 47.6 | 0 | 0 | 0 | 0 | 111.1 | N91 I491 A492 A497 G498 D499 | N91-T495 VanDerWaalsContact OD1-CB 3.27Å; N91-T495 WeakPolarHBondContact OD1-CB 3.02Å; N91-T495 PolarHBondContact OD1-OG1 3.4Å; I491-T495 HydrophobicContact CG2-CG2 4.08Å; I491-T495 WeakPolarHBondContact O-CG2 3.48Å; I491-T495 PolarHBondContact O-N 3.32Å; I491-T495 PolarHBondContact O-OG1 3.49Å; A492-T495 PolarHBondContact O-OG1 3.11Å; T495-A497 VanDerWaalsContact C-N 3.33Å; T495-A497 PolarHBondContact O-N 2.95Å; T495-G498 CarbonylContact O-C 3.59Å; T495-G498 VanDerWaalsContact O-CA 3.27Å; T495-G498 WeakPolarHBondContact O-CA 3.16Å; T495-G498 PolarHBondContact O-N 3.29Å; T495-D499 PolarHBondContact O-N 2.95Å |
| 496 | G | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.3 | -39 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M280 A492 G498 D499 L500 | M280-G496 WeakPolarHBondContact CB-O 3.2Å; A492-G496 PolarHBondContact O-N 3.43Å; G496-G498 VanDerWaalsContact C-N 3.28Å; G496-G498 PolarHBondContact O-N 3.48Å; G496-D499 PolarHBondContact O-N 3.22Å; G496-L500 PolarHBondContact O-N 2.73Å |
| 497 | A | 95.8 | Very high | 94.7 | Very high | 12 Ų | 12 | 11.2 Ų | 11.2 | 10% | 0.099 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.6 | -36.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M280 L453 V493 T495 L500 I501 | M280-A497 HydrophobicContact CE-CB 4.28Å; M280-A497 HydrophobicContact SD-CB 4.05Å; L453-A497 HydrophobicContact CD2-CB 4.48Å; V493-A497 WeakPolarHBondContact O-CB 3.35Å; V493-A497 PolarHBondContact O-N 3.09Å; T495-A497 VanDerWaalsContact C-N 3.33Å; T495-A497 PolarHBondContact O-N 2.95Å; A497-L500 PolarHBondContact O-N 3.49Å; A497-I501 HydrophobicContact CB-CD1 4.39Å; A497-I501 VanDerWaalsContact O-CB 3.26Å; A497-I501 WeakPolarHBondContact O-CB 3.39Å; A497-I501 WeakPolarHBondContact O-CD1 3.49Å; A497-I501 WeakPolarHBondContact O-CG1 3.21Å; A497-I501 PolarHBondContact O-N 2.99Å |
| 498 | G | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q449 T494 T495 G496 G502 | Q449-G498 PolarHBondContact NE2-O 2.82Å; T494-G498 PolarHBondContact O-N 3.13Å; T495-G498 CarbonylContact O-C 3.59Å; T495-G498 VanDerWaalsContact O-CA 3.27Å; T495-G498 WeakPolarHBondContact O-CA 3.16Å; T495-G498 PolarHBondContact O-N 3.29Å; G496-G498 VanDerWaalsContact C-N 3.28Å; G496-G498 PolarHBondContact O-N 3.48Å; G498-G502 WeakPolarHBondContact O-CA 3.36Å; G498-G502 PolarHBondContact O-N 3.03Å |
| 499 | D | 95.4 | Very high | 95.1 | Very high | 12 Ų | 12 | 17.2 Ų | 17.2 | 6% | 0.064 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.4 | -49.2 | 176 | -63.3 | -17.3 | 0 | 0 | 0 | 110.9 | G87 S281 C284 N306 T495 G496 T503 | G87-D499 WeakPolarHBondContact CA-OD2 3.48Å; S281-D499 WeakPolarHBondContact CB-OD2 3.49Å; S281-D499 PolarHBondContact OG-OD2 3.47Å; C284-D499 HydrophobicContact CB-CB 4.29Å; C284-D499 PolarHBondContact SG-O 3.1Å; N306-D499 PolarHBondContact OD1-O 2.84Å; T495-D499 PolarHBondContact O-N 2.95Å; G496-D499 PolarHBondContact O-N 3.22Å; D499-T503 VanDerWaalsContact O-CB 3.27Å; D499-T503 WeakPolarHBondContact O-CB 3.43Å; D499-T503 PolarHBondContact O-N 3.1Å; D499-T503 PolarHBondContact O-OG1 3.34Å; D499-T503 VanDerWaalsContact O-OG1 3.05Å |
| 500 | L | 96 | Very high | 95.2 | Very high | 42 Ų | 42 | 17.2 Ų | 17.2 | 22% | 0.22 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.4 | -50 | -179.2 | -179.2 | 59.9 | 0 | 0 | 0 | 112 | M280 I283 I287 G496 A497 S504 | M280-L500 HydrophobicContact CB-CB 4.31Å; M280-L500 HydrophobicContact CB-CD2 4.34Å; M280-L500 HydrophobicContact CG-CD2 4.29Å; I283-L500 HydrophobicContact CB-CD1 4.15Å; I283-L500 HydrophobicContact CG2-CD1 3.63Å; I287-L500 HydrophobicContact CD1-CD1 4.1Å; G496-L500 PolarHBondContact O-N 2.73Å; A497-L500 PolarHBondContact O-N 3.49Å; L500-S504 VanDerWaalsContact O-CB 3.22Å; L500-S504 WeakPolarHBondContact O-CB 3.36Å; L500-S504 PolarHBondContact O-N 3.5Å; L500-S504 PolarHBondContact O-OG 2.63Å |
| 501 | I | 96.7 | Very high | 95.1 | Very high | 47 Ų | 47 | 19.2 Ų | 19.2 | 24% | 0.241 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.7 | -45.7 | -177.9 | -67.1 | 166.2 | 0 | 0 | 0 | 110.5 | Q449 I452 A497 S504 L505 | Q449-I501 HydrophobicContact CB-CG2 4.44Å; Q449-I501 HydrophobicContact CG-CG2 4.3Å; I452-I501 HydrophobicContact CD1-CG2 4.2Å; I452-I501 HydrophobicContact CG2-CD1 4.03Å; A497-I501 HydrophobicContact CB-CD1 4.39Å; A497-I501 VanDerWaalsContact O-CB 3.26Å; A497-I501 WeakPolarHBondContact O-CB 3.39Å; A497-I501 WeakPolarHBondContact O-CD1 3.49Å; A497-I501 WeakPolarHBondContact O-CG1 3.21Å; A497-I501 PolarHBondContact O-N 2.99Å; I501-S504 PolarHBondContact O-N 3.23Å; I501-L505 HydrophobicContact CG2-CD1 3.62Å; I501-L505 HydrophobicContact CG2-CG 4.19Å; I501-L505 WeakPolarHBondContact O-CB 3.33Å; I501-L505 VanDerWaalsContact O-CG 3.24Å; I501-L505 WeakPolarHBondContact O-CG 3.14Å; I501-L505 PolarHBondContact O-N 3.31Å |
| 502 | G | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.2 | -50.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G498 F506 | G498-G502 WeakPolarHBondContact O-CA 3.36Å; G498-G502 PolarHBondContact O-N 3.03Å; G502-F506 WeakPolarHBondContact O-CB 3.05Å; G502-F506 PolarHBondContact O-N 3.22Å |
| 503 | T | 94.8 | Very high | 95 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.8 | -44.1 | 179.2 | -63.8 | 0 | 0 | 0 | 0 | 112.3 | C284 S288 N306 D499 L505 F506 I507 | C284-T503 VanDerWaalsContact SG-CB 3.53Å; C284-T503 PolarHBondContact SG-OG1 2.91Å; S288-T503 WeakPolarHBondContact OG-CG2 3.31Å; N306-T503 PolarHBondContact ND2-OG1 3.44Å; N306-T503 PolarHBondContact OD1-N 3.25Å; N306-T503 PolarHBondContact OD1-OG1 2.94Å; D499-T503 VanDerWaalsContact O-CB 3.27Å; D499-T503 WeakPolarHBondContact O-CB 3.43Å; D499-T503 PolarHBondContact O-N 3.1Å; D499-T503 PolarHBondContact O-OG1 3.34Å; D499-T503 VanDerWaalsContact O-OG1 3.05Å; T503-L505 PolarHBondContact O-N 2.99Å; T503-F506 PolarHBondContact O-N 3.35Å; T503-I507 HydrophobicContact CG2-CD1 3.85Å; T503-I507 WeakPolarHBondContact O-CG1 3.28Å; T503-I507 PolarHBondContact O-N 3.46Å |
| 504 | S | 95.9 | Very high | 94.7 | Very high | 44 Ų | 44 | 27.9 Ų | 27.9 | 31% | 0.308 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 179.7 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | L500 I501 L508 | L500-S504 VanDerWaalsContact O-CB 3.22Å; L500-S504 WeakPolarHBondContact O-CB 3.36Å; L500-S504 PolarHBondContact O-N 3.5Å; L500-S504 PolarHBondContact O-OG 2.63Å; I501-S504 PolarHBondContact O-N 3.23Å; S504-L508 VanDerWaalsContact O-CB 3.28Å; S504-L508 WeakPolarHBondContact O-CB 3.44Å; S504-L508 PolarHBondContact O-N 2.73Å |
| 505 | L | 96.9 | Very high | 94.5 | Very high | 29 Ų | 29 | 36.2 Ų | 36.2 | 15% | 0.152 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64 | -42.6 | 175.5 | -72.4 | 174.6 | 0 | 0 | 0 | 111.2 | A445 I448 Q449 I452 I501 T503 I507 L508 F509 | A445-L505 HydrophobicContact CB-CB 4.02Å; I448-L505 HydrophobicContact CB-CD1 4.06Å; I448-L505 HydrophobicContact CG2-CD1 3.65Å; I448-L505 HydrophobicContact CG2-CD2 4.48Å; Q449-L505 HydrophobicContact CB-CD1 4.23Å; I452-L505 HydrophobicContact CD1-CD1 4.48Å; I501-L505 HydrophobicContact CG2-CD1 3.62Å; I501-L505 HydrophobicContact CG2-CG 4.19Å; I501-L505 WeakPolarHBondContact O-CB 3.33Å; I501-L505 VanDerWaalsContact O-CG 3.24Å; I501-L505 WeakPolarHBondContact O-CG 3.14Å; I501-L505 PolarHBondContact O-N 3.31Å; T503-L505 PolarHBondContact O-N 2.99Å; L505-I507 PolarHBondContact O-N 3.21Å; L505-L508 PolarHBondContact O-N 3.07Å; L505-F509 HydrophobicContact CB-CD2 4.39Å; L505-F509 HydrophobicContact CB-CE2 4.4Å; L505-F509 HydrophobicContact CD2-CE2 4.19Å; L505-F509 WeakPolarHBondContact O-CD2 3.48Å; L505-F509 PolarHBondContact O-N 3.46Å |
| 506 | F | 95.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.8 | -48.7 | 179.8 | -177 | -140.6 | 0 | 0 | 0 | 111.9 | I298 L301 I305 Y442 A445 G502 T503 L508 F509 L510 | I298-F506 HydrophobicContact CG1-CE1 4.3Å; L301-F506 HydrophobicContact CB-CE1 3.77Å; L301-F506 HydrophobicContact CB-CZ 3.82Å; L301-F506 HydrophobicContact CD1-CZ 3.89Å; L301-F506 HydrophobicContact CG-CZ 4.5Å; I305-F506 HydrophobicContact CD1-CB 3.92Å; I305-F506 HydrophobicContact CD1-CG 4.23Å; Y442-F506 HydrophobicContact CD2-CD2 4.29Å; Y442-F506 AromaticContact CD2-CE2 3.96Å; Y442-F506 HydrophobicContact CD2-CE2 3.96Å; Y442-F506 HydrophobicContact CD2-CZ 4.18Å; Y442-F506 HydrophobicContact CG-CE2 4.41Å; A445-F506 HydrophobicContact CB-CB 4.1Å; G502-F506 WeakPolarHBondContact O-CB 3.05Å; G502-F506 PolarHBondContact O-N 3.22Å; T503-F506 PolarHBondContact O-N 3.35Å; F506-L508 VanDerWaalsContact C-N 3.35Å; F506-L508 PolarHBondContact O-N 2.87Å; F506-F509 PolarHBondContact O-N 3.07Å; F506-L510 HydrophobicContact CD1-CD1 4.3Å; F506-L510 HydrophobicContact CD2-CD1 4.14Å; F506-L510 HydrophobicContact CD2-CG 4.1Å; F506-L510 HydrophobicContact CE1-CD1 3.94Å; F506-L510 HydrophobicContact CE2-CD1 3.74Å; F506-L510 HydrophobicContact CE2-CD2 4.01Å; F506-L510 HydrophobicContact CE2-CG 3.78Å; F506-L510 HydrophobicContact CG-CD1 4.39Å; F506-L510 HydrophobicContact CZ-CD1 3.64Å; F506-L510 HydrophobicContact CZ-CD2 4.37Å; F506-L510 HydrophobicContact CZ-CG 4.18Å; F506-L510 WeakPolarHBondContact O-CB 3.46Å; F506-L510 WeakPolarHBondContact O-CG 3.25Å; F506-L510 PolarHBondContact O-N 3.48Å |
| 507 | I | 94.7 | Very high | 94 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 177.5 | -68.5 | 169.1 | 0 | 0 | 0 | 111.2 | I287 F291 W295 I298 T503 L505 L510 S511 | I287-I507 HydrophobicContact CG2-CD1 3.6Å; F291-I507 HydrophobicContact CB-CD1 4.23Å; F291-I507 HydrophobicContact CB-CG2 4.4Å; F291-I507 HydrophobicContact CD1-CG2 3.99Å; F291-I507 HydrophobicContact CD2-CD1 3.87Å; F291-I507 HydrophobicContact CD2-CG2 3.6Å; F291-I507 HydrophobicContact CE1-CG2 4.07Å; F291-I507 HydrophobicContact CE2-CG2 3.71Å; F291-I507 HydrophobicContact CG-CD1 4.31Å; F291-I507 HydrophobicContact CG-CG2 3.73Å; F291-I507 HydrophobicContact CZ-CG2 3.93Å; W295-I507 HydrophobicContact CZ3-CG2 4.09Å; I298-I507 HydrophobicContact CD1-CD1 4.2Å; I298-I507 HydrophobicContact CD1-CG1 3.81Å; T503-I507 HydrophobicContact CG2-CD1 3.85Å; T503-I507 WeakPolarHBondContact O-CG1 3.28Å; T503-I507 PolarHBondContact O-N 3.46Å; L505-I507 PolarHBondContact O-N 3.21Å; I507-L510 PolarHBondContact O-N 3.2Å; I507-S511 WeakPolarHBondContact O-CB 3.03Å; I507-S511 PolarHBondContact O-N 3.05Å; I507-S511 PolarHBondContact O-OG 3.22Å |
| 508 | L | 95.4 | Very high | 93.6 | Very high | 89 Ų | 89 | 50 Ų | 50 | 47% | 0.466 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.6 | -49.4 | 176 | 177.3 | 65.8 | 0 | 0 | 0 | 111.3 | S504 L505 F506 S511 I512 | S504-L508 VanDerWaalsContact O-CB 3.28Å; S504-L508 WeakPolarHBondContact O-CB 3.44Å; S504-L508 PolarHBondContact O-N 2.73Å; L505-L508 PolarHBondContact O-N 3.07Å; F506-L508 VanDerWaalsContact C-N 3.35Å; F506-L508 PolarHBondContact O-N 2.87Å; L508-S511 WeakPolarHBondContact O-CB 3.47Å; L508-S511 PolarHBondContact O-N 3Å; L508-I512 HydrophobicContact CD1-CD1 4.17Å; L508-I512 HydrophobicContact CG-CD1 3.96Å; L508-I512 VanDerWaalsContact O-CG1 3.31Å; L508-I512 WeakPolarHBondContact O-CG1 3.35Å; L508-I512 PolarHBondContact O-N 3.48Å |
| 509 | F | 95.5 | Very high | 93 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 19% | 0.189 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.8 | -32.5 | -179.6 | -75.7 | -67.6 | 0 | 0 | 0 | 112.8 | P441 I444 A445 I448 L505 F506 S511 I512 S513 | P441-F509 HydrophobicContact CB-CB 3.63Å; P441-F509 HydrophobicContact CG-CB 4.32Å; P441-F509 WeakPolarHBondContact CG-O 3.35Å; I444-F509 HydrophobicContact CG2-CD1 4.11Å; I444-F509 HydrophobicContact CG2-CD2 4.14Å; I444-F509 HydrophobicContact CG2-CE1 3.68Å; I444-F509 HydrophobicContact CG2-CE2 3.73Å; I444-F509 HydrophobicContact CG2-CG 4.34Å; I444-F509 HydrophobicContact CG2-CZ 3.49Å; I444-F509 VanDerWaalsContact CG2-CZ 3.49Å; A445-F509 HydrophobicContact CB-CD2 3.95Å; I448-F509 HydrophobicContact CD1-CE2 3.75Å; I448-F509 HydrophobicContact CD1-CZ 3.55Å; L505-F509 HydrophobicContact CB-CD2 4.39Å; L505-F509 HydrophobicContact CB-CE2 4.4Å; L505-F509 HydrophobicContact CD2-CE2 4.19Å; L505-F509 WeakPolarHBondContact O-CD2 3.48Å; L505-F509 PolarHBondContact O-N 3.46Å; F506-F509 PolarHBondContact O-N 3.07Å; F509-S511 VanDerWaalsContact C-N 3.34Å; F509-I512 HydrophobicContact CD1-CD1 4.2Å; F509-I512 HydrophobicContact CE1-CD1 4.49Å; F509-I512 PolarHBondContact O-N 2.94Å; F509-S513 WeakPolarHBondContact O-CB 3.36Å; F509-S513 PolarHBondContact O-N 3.49Å |
| 510 | L | 93.4 | Very high | 92.9 | Very high | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 169.8 | -75.4 | 174.4 | 0 | 0 | 0 | 111.2 | W295 I298 I438 P441 F506 I507 S513 K514 | W295-L510 HydrophobicContact CB-CD1 4.5Å; W295-L510 HydrophobicContact CD2-CB 4.41Å; W295-L510 HydrophobicContact CD2-CD1 4.42Å; W295-L510 HydrophobicContact CG-CD1 4.38Å; W295-L510 HydrophobicContact CZ2-CB 4.47Å; I298-L510 HydrophobicContact CG1-CD1 4.19Å; I438-L510 HydrophobicContact CG1-CD2 4.42Å; P441-L510 HydrophobicContact CB-CD2 4.07Å; P441-L510 HydrophobicContact CB-CG 4.29Å; P441-L510 HydrophobicContact CG-CD2 4.39Å; F506-L510 HydrophobicContact CD1-CD1 4.3Å; F506-L510 HydrophobicContact CD2-CD1 4.14Å; F506-L510 HydrophobicContact CD2-CG 4.1Å; F506-L510 HydrophobicContact CE1-CD1 3.94Å; F506-L510 HydrophobicContact CE2-CD1 3.74Å; F506-L510 HydrophobicContact CE2-CD2 4.01Å; F506-L510 HydrophobicContact CE2-CG 3.78Å; F506-L510 HydrophobicContact CG-CD1 4.39Å; F506-L510 HydrophobicContact CZ-CD1 3.64Å; F506-L510 HydrophobicContact CZ-CD2 4.37Å; F506-L510 HydrophobicContact CZ-CG 4.18Å; F506-L510 WeakPolarHBondContact O-CB 3.46Å; F506-L510 WeakPolarHBondContact O-CG 3.25Å; F506-L510 PolarHBondContact O-N 3.48Å; I507-L510 PolarHBondContact O-N 3.2Å; L510-S513 PolarHBondContact O-N 3.31Å; L510-K514 WeakPolarHBondContact O-CB 3.45Å; L510-K514 PolarHBondContact O-N 3.47Å |
| 511 | S | 93.1 | Very high | 92.7 | Very high | 42 Ų | 42 | 58.8 Ų | 58.8 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.9 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | W295 I507 L508 F509 K514 W515 | W295-S511 WeakPolarHBondContact CH2-OG 3.47Å; I507-S511 WeakPolarHBondContact O-CB 3.03Å; I507-S511 PolarHBondContact O-N 3.05Å; I507-S511 PolarHBondContact O-OG 3.22Å; L508-S511 WeakPolarHBondContact O-CB 3.47Å; L508-S511 PolarHBondContact O-N 3Å; F509-S511 VanDerWaalsContact C-N 3.34Å; S511-K514 PolarHBondContact O-N 2.86Å; S511-W515 WeakPolarHBondContact O-CB 3.45Å; S511-W515 PolarHBondContact O-N 3.43Å |
| 512 | I | 93.6 | Very high | 92.5 | Very high | 67 Ų | 67 | 59.5 Ų | 59.5 | 34% | 0.344 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 176.4 | -68 | 165.5 | 0 | 0 | 0 | 110.7 | L508 F509 K514 W515 I516 | L508-I512 HydrophobicContact CD1-CD1 4.17Å; L508-I512 HydrophobicContact CG-CD1 3.96Å; L508-I512 VanDerWaalsContact O-CG1 3.31Å; L508-I512 WeakPolarHBondContact O-CG1 3.35Å; L508-I512 PolarHBondContact O-N 3.48Å; F509-I512 HydrophobicContact CD1-CD1 4.2Å; F509-I512 HydrophobicContact CE1-CD1 4.49Å; F509-I512 PolarHBondContact O-N 2.94Å; I512-K514 PolarHBondContact O-N 3.44Å; I512-W515 WeakPolarHBondContact O-CB 3.2Å; I512-W515 PolarHBondContact O-N 3.08Å; I512-I516 HydrophobicContact CG2-CD1 3.72Å; I512-I516 HydrophobicContact CG2-CG1 4.32Å; I512-I516 VanDerWaalsContact O-CG1 3.31Å; I512-I516 WeakPolarHBondContact O-CG1 3.42Å; I512-I516 PolarHBondContact O-N 3.21Å |
| 513 | S | 91.8 | Very high | 92.3 | Very high | 21 Ų | 21 | 63 Ų | 63 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 178.7 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | D437 F509 L510 W515 I516 M517 | D437-S513 PolarHBondContact O-OG 3.01Å; F509-S513 WeakPolarHBondContact O-CB 3.36Å; F509-S513 PolarHBondContact O-N 3.49Å; L510-S513 PolarHBondContact O-N 3.31Å; S513-W515 VanDerWaalsContact C-N 3.33Å; S513-W515 PolarHBondContact O-N 2.63Å; S513-I516 PolarHBondContact O-N 2.92Å; S513-M517 WeakPolarHBondContact O-CG 3.27Å; S513-M517 PolarHBondContact O-N 3.32Å |
| 514 | K | 89.9 | Confident | 92.2 | Very high | 114 Ų | 114 | 66.9 Ų | 66.9 | 50% | 0.496 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 174.6 | -174.1 | 178.8 | 179.5 | 178.9 | 0 | 111.6 | W295 L510 S511 I512 M517 S518 | W295-K514 HydrophobicContact CZ2-CB 4.45Å; W295-K514 HydrophobicContact CZ2-CD 3.8Å; L510-K514 WeakPolarHBondContact O-CB 3.45Å; L510-K514 PolarHBondContact O-N 3.47Å; S511-K514 PolarHBondContact O-N 2.86Å; I512-K514 PolarHBondContact O-N 3.44Å; K514-M517 PolarHBondContact O-N 3.26Å; K514-S518 WeakPolarHBondContact O-CB 3.21Å; K514-S518 PolarHBondContact O-N 3.31Å; K514-S518 PolarHBondContact O-OG 2.84Å |
| 515 | W | 91.3 | Very high | 91.9 | Very high | 175 Ų | 175 | 68.4 Ų | 68.4 | 66% | 0.663 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.5 | -48.2 | 176.5 | 179.5 | 74.8 | 0 | 0 | 0 | 111.8 | S511 I512 S513 M517 S518 S519 | S511-W515 WeakPolarHBondContact O-CB 3.45Å; S511-W515 PolarHBondContact O-N 3.43Å; I512-W515 WeakPolarHBondContact O-CB 3.2Å; I512-W515 PolarHBondContact O-N 3.08Å; S513-W515 VanDerWaalsContact C-N 3.33Å; S513-W515 PolarHBondContact O-N 2.63Å; W515-M517 VanDerWaalsContact C-N 3.29Å; W515-M517 PolarHBondContact O-N 3.28Å; W515-S518 WeakPolarHBondContact CA-OG 3.4Å; W515-S518 PolarHBondContact O-N 3.43Å; W515-S518 VanDerWaalsContact O-N 3.08Å; W515-S518 PolarHBondContact O-OG 3.13Å; W515-S519 PolarHBondContact O-N 3.46Å; W515-S519 PolarHBondContact O-OG 2.94Å |
| 516 | I | 91.1 | Very high | 91.6 | Very high | 95 Ų | 95 | 71.2 Ų | 71.2 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.8 | -36.4 | 177.8 | -67.1 | 169.1 | 0 | 0 | 0 | 112 | I512 S513 S518 S519 | I512-I516 HydrophobicContact CG2-CD1 3.72Å; I512-I516 HydrophobicContact CG2-CG1 4.32Å; I512-I516 VanDerWaalsContact O-CG1 3.31Å; I512-I516 WeakPolarHBondContact O-CG1 3.42Å; I512-I516 PolarHBondContact O-N 3.21Å; S513-I516 PolarHBondContact O-N 2.92Å; I516-S518 VanDerWaalsContact C-N 3.33Å; I516-S519 WeakPolarHBondContact CA-OG 3.36Å; I516-S519 PolarHBondContact O-OG 3.01Å; I516-S519 VanDerWaalsContact O-OXT 3.09Å |
| 517 | M | 85.8 | Confident | 91.2 | Very high | 121 Ų | 121 | 76.6 Ų | 76.6 | 60% | 0.596 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -75.8 | -23.2 | 177.6 | -70.4 | 174.5 | 68.5 | 0 | 0 | 113.4 | D437 S513 K514 W515 | D437-M517 HydrophobicContact CB-CE 4.17Å; D437-M517 HydrophobicContact CB-SD 3.3Å; D437-M517 WeakPolarHBondContact CB-SD 3.29Å; S513-M517 WeakPolarHBondContact O-CG 3.27Å; S513-M517 PolarHBondContact O-N 3.32Å; K514-M517 PolarHBondContact O-N 3.26Å; W515-M517 VanDerWaalsContact C-N 3.29Å; W515-M517 PolarHBondContact O-N 3.28Å |
| 518 | S | 87.7 | Confident | 90.9 | Very high | 93 Ų | 93 | 82.4 Ų | 82.4 | 65% | 0.65 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -87.4 | -22 | 177.7 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | K514 W515 I516 | K514-S518 WeakPolarHBondContact O-CB 3.21Å; K514-S518 PolarHBondContact O-N 3.31Å; K514-S518 PolarHBondContact O-OG 2.84Å; W515-S518 WeakPolarHBondContact CA-OG 3.4Å; W515-S518 PolarHBondContact O-N 3.43Å; W515-S518 VanDerWaalsContact O-N 3.08Å; W515-S518 PolarHBondContact O-OG 3.13Å; I516-S518 VanDerWaalsContact C-N 3.33Å |
| 519 | S | 82.8 | Confident | 90.5 | Very high | 123 Ų | 123 | 81.8 Ų | 81.8 | 86% | 0.86 | 43% | 0.432 | S | S | * | . | trans | -83.2 | 0 | 172.1 | 63.4 | 0 | 0 | 0 | 0 | 111.2 | W515 I516 | W515-S519 PolarHBondContact O-N 3.46Å; W515-S519 PolarHBondContact O-OG 2.94Å; I516-S519 WeakPolarHBondContact CA-OG 3.36Å; I516-S519 PolarHBondContact O-OG 3.01Å; I516-S519 VanDerWaalsContact O-OXT 3.09Å |
Retrieved 519 of 519 residues in 483 ms
(Link to these results)