| 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 | 59.9 | Low | 79 | Confident | 160 Ų | 160 | 75.9 Ų | 75.9 | 79% | 0.788 | 37% | 0.366 | S | S | * | . | 0 | -46.2 | 0 | -72.3 | -58.4 | -105.6 | 0 | 0 | 112.7 | K3 L4 R5 | M1-K3 PolarHBondContact O-N 3.4Å; M1-L4 WeakPolarHBondContact O-CB 3.32Å; M1-L4 PolarHBondContact O-N 3.16Å; M1-R5 PolarHBondContact O-N 3.03Å | |||
| 2 | D | 68.4 | Low | 79.6 | Confident | 118 Ų | 118 | 76.1 Ų | 76.1 | 63% | 0.631 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.6 | -40.2 | -176.4 | -60.1 | -38 | 0 | 0 | 0 | 114.6 | L4 R5 L6 | D2-L4 PolarHBondContact O-N 2.95Å; D2-R5 PolarHBondContact O-N 3.12Å; D2-R5 IonicContact OD1-NH1 3.15Å; D2-L6 PolarHBondContact O-N 3.43Å |
| 3 | K | 73.9 | Confident | 80 | Confident | 158 Ų | 158 | 72.8 Ų | 72.8 | 69% | 0.687 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -58 | -36.3 | 171.8 | -71.1 | -172.3 | 178.2 | -177.1 | 0 | 112.8 | M1 L6 L7 L72 | M1-K3 PolarHBondContact O-N 3.4Å; K3-L6 PolarHBondContact O-N 2.67Å; K3-L7 PolarHBondContact O-N 2.85Å; K3-L72 HydrophobicContact CB-CD1 4.22Å; K3-L72 HydrophobicContact CB-CD2 4.3Å; K3-L72 HydrophobicContact CD-CD2 3.93Å |
| 4 | L | 76.8 | Confident | 80.6 | Confident | 21 Ų | 21 | 67.8 Ų | 67.8 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -73.6 | -39.4 | -179.2 | -143 | 148.6 | 0 | 0 | 0 | 110.4 | M1 D2 L7 F8 I86 F87 | M1-L4 WeakPolarHBondContact O-CB 3.32Å; M1-L4 PolarHBondContact O-N 3.16Å; D2-L4 PolarHBondContact O-N 2.95Å; L4-L7 PolarHBondContact O-N 3.02Å; L4-F8 HydrophobicContact CD2-CD2 3.72Å; L4-F8 HydrophobicContact CD2-CE2 3.62Å; L4-F8 WeakPolarHBondContact O-CD2 3.45Å; L4-F8 PolarHBondContact O-N 3.4Å; L4-F8 VanDerWaalsContact O-N 3.08Å; L4-I86 HydrophobicContact CD1-CG2 3.86Å; L4-F87 HydrophobicContact CD1-CE1 4.47Å; L4-F87 HydrophobicContact CD2-CD1 4.09Å; L4-F87 HydrophobicContact CD2-CE1 3.97Å |
| 5 | R | 78.9 | Confident | 80.9 | Confident | 173 Ų | 173 | 65.2 Ų | 65.2 | 65% | 0.653 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 170.7 | -73.4 | -179.1 | 179 | 164.7 | -3.7 | 112.3 | M1 D2 F8 S9 | M1-R5 PolarHBondContact O-N 3.03Å; D2-R5 PolarHBondContact O-N 3.12Å; D2-R5 IonicContact OD1-NH1 3.15Å; R5-F8 PolarHBondContact O-N 3.16Å; R5-S9 WeakPolarHBondContact O-CB 3.21Å; R5-S9 PolarHBondContact O-N 3.36Å |
| 6 | L | 82.8 | Confident | 80.7 | Confident | 108 Ų | 108 | 63 Ų | 63 | 57% | 0.565 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.2 | -44.8 | 178.7 | -160.2 | 109.9 | 0 | 0 | 0 | 111.5 | D2 K3 S9 Q10 | D2-L6 PolarHBondContact O-N 3.43Å; K3-L6 PolarHBondContact O-N 2.67Å; L6-S9 VanDerWaalsContact O-CB 3.3Å; L6-S9 WeakPolarHBondContact O-CB 3.48Å; L6-S9 PolarHBondContact O-N 2.92Å; L6-Q10 WeakPolarHBondContact O-CG 3.17Å; L6-Q10 PolarHBondContact O-N 3.35Å |
| 7 | L | 83.1 | Confident | 80.2 | Confident | 16 Ų | 16 | 63.2 Ų | 63.2 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 175.1 | -93.7 | 159.8 | 0 | 0 | 0 | 112.9 | K3 L4 S9 Q10 L11 F65 A68 L72 | K3-L7 PolarHBondContact O-N 2.85Å; L4-L7 PolarHBondContact O-N 3.02Å; L7-S9 VanDerWaalsContact C-N 3.28Å; L7-S9 PolarHBondContact O-N 2.99Å; L7-Q10 WeakPolarHBondContact O-CB 3.42Å; L7-Q10 PolarHBondContact O-N 3.46Å; L7-Q10 VanDerWaalsContact O-N 3.1Å; L7-L11 PolarHBondContact O-N 3.37Å; L7-F65 HydrophobicContact CB-CE2 3.99Å; L7-F65 HydrophobicContact CD2-CD2 3.69Å; L7-F65 HydrophobicContact CD2-CE2 3.89Å; L7-F65 WeakPolarHBondContact O-CE2 3.49Å; L7-A68 HydrophobicContact CD1-CB 4.4Å; L7-A68 HydrophobicContact CD2-CB 3.85Å; L7-L72 HydrophobicContact CD1-CD1 3.12Å; L7-L72 HydrophobicContact CD1-CG 4.23Å |
| 8 | F | 86 | Confident | 79.4 | Confident | 10 Ų | 10 | 65.3 Ų | 65.3 | 4% | 0.044 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.5 | -27.1 | 177.9 | -85.6 | -82.6 | 0 | 0 | 0 | 112.9 | L4 R5 L11 T12 F65 F87 Q91 Q94 L95 | L4-F8 HydrophobicContact CD2-CD2 3.72Å; L4-F8 HydrophobicContact CD2-CE2 3.62Å; L4-F8 WeakPolarHBondContact O-CD2 3.45Å; L4-F8 PolarHBondContact O-N 3.4Å; L4-F8 VanDerWaalsContact O-N 3.08Å; R5-F8 PolarHBondContact O-N 3.16Å; F8-L11 HydrophobicContact CD1-CD2 4.02Å; F8-L11 HydrophobicContact CE1-CD2 4.03Å; F8-L11 PolarHBondContact O-N 3.29Å; F8-T12 WeakPolarHBondContact O-CB 3.15Å; F8-T12 PolarHBondContact O-N 3.07Å; F8-T12 PolarHBondContact O-OG1 2.98Å; F8-F65 HydrophobicContact CD1-CZ 4.45Å; F8-F65 HydrophobicContact CE1-CZ 4.27Å; F8-F65 HydrophobicContact CZ-CZ 4.32Å; F8-F87 AromaticContact CE2-CD1 3.71Å; F8-F87 HydrophobicContact CE2-CD1 3.71Å; F8-F87 AromaticContact CE2-CE1 3.83Å; F8-F87 HydrophobicContact CE2-CE1 3.83Å; F8-F87 AromaticContact CZ-CD1 3.8Å; F8-F87 HydrophobicContact CZ-CD1 3.8Å; F8-F87 HydrophobicContact CZ-CE1 4.13Å; F8-Q91 HydrophobicContact CD1-CB 4.14Å; F8-Q91 HydrophobicContact CD1-CG 3.74Å; F8-Q91 HydrophobicContact CD2-CG 4.19Å; F8-Q91 HydrophobicContact CE1-CB 3.52Å; F8-Q91 HydrophobicContact CE1-CG 3.66Å; F8-Q91 HydrophobicContact CE2-CB 4.24Å; F8-Q91 HydrophobicContact CE2-CG 4.12Å; F8-Q91 HydrophobicContact CG-CG 3.99Å; F8-Q91 HydrophobicContact CZ-CB 3.57Å; F8-Q91 HydrophobicContact CZ-CG 3.85Å; F8-Q94 VanDerWaalsContact CD1-OE1 3.24Å; F8-Q94 HydrophobicContact CE1-CB 4.3Å; F8-L95 HydrophobicContact CE1-CG 4.22Å; F8-L95 HydrophobicContact CZ-CD1 3.99Å; F8-L95 HydrophobicContact CZ-CD2 4.45Å; F8-L95 HydrophobicContact CZ-CG 3.96Å |
| 9 | S | 85.1 | Confident | 78.3 | Confident | 56 Ų | 56 | 69.4 Ų | 69.4 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 167.2 | 151.4 | 0 | 0 | 0 | 0 | 111.9 | R5 L6 L7 S13 K39 | R5-S9 WeakPolarHBondContact O-CB 3.21Å; R5-S9 PolarHBondContact O-N 3.36Å; L6-S9 VanDerWaalsContact O-CB 3.3Å; L6-S9 WeakPolarHBondContact O-CB 3.48Å; L6-S9 PolarHBondContact O-N 2.92Å; L7-S9 VanDerWaalsContact C-N 3.28Å; L7-S9 PolarHBondContact O-N 2.99Å; S9-S13 PolarHBondContact O-N 3.33Å; S9-S13 PolarHBondContact O-OG 3.38Å; S9-K39 PolarHBondContact O-NZ 3.4Å |
| 10 | Q | 86.5 | Confident | 77.5 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 7% | 0.07 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 174.3 | -67.6 | 165 | -12 | 0 | 0 | 111.1 | L6 L7 T12 S13 L14 Y36 K39 | L6-Q10 WeakPolarHBondContact O-CG 3.17Å; L6-Q10 PolarHBondContact O-N 3.35Å; L7-Q10 WeakPolarHBondContact O-CB 3.42Å; L7-Q10 PolarHBondContact O-N 3.46Å; L7-Q10 VanDerWaalsContact O-N 3.1Å; Q10-T12 VanDerWaalsContact C-N 3.31Å; Q10-T12 PolarHBondContact O-N 3.32Å; Q10-S13 PolarHBondContact O-N 3.07Å; Q10-S13 PolarHBondContact O-OG 3.27Å; Q10-L14 PolarHBondContact O-N 3.22Å; Q10-Y36 HydrophobicContact CB-CD2 3.83Å; Q10-Y36 HydrophobicContact CB-CE2 3.71Å; Q10-K39 HydrophobicContact CG-CB 3.7Å; Q10-K39 HydrophobicContact CG-CD 4.28Å; Q10-K39 PolarHBondContact NE2-O 3.5Å |
| 11 | L | 87.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 178.3 | -176.6 | 69.1 | 0 | 0 | 0 | 112.2 | L7 F8 S13 L14 L15 F65 Q94 C98 | L7-L11 PolarHBondContact O-N 3.37Å; F8-L11 HydrophobicContact CD1-CD2 4.02Å; F8-L11 HydrophobicContact CE1-CD2 4.03Å; F8-L11 PolarHBondContact O-N 3.29Å; L11-S13 PolarHBondContact O-N 3.24Å; L11-L14 WeakPolarHBondContact O-CB 3.35Å; L11-L14 PolarHBondContact O-N 3.29Å; L11-L15 HydrophobicContact CD1-CD1 4.02Å; L11-L15 HydrophobicContact CD1-CG 4Å; L11-L15 HydrophobicContact CD2-CD1 3.99Å; L11-L15 HydrophobicContact CG-CD1 3.75Å; L11-L15 HydrophobicContact CG-CG 4.1Å; L11-L15 PolarHBondContact O-N 3.49Å; L11-F65 HydrophobicContact CB-CD2 4.05Å; L11-F65 HydrophobicContact CB-CE1 4.37Å; L11-F65 HydrophobicContact CB-CE2 3.67Å; L11-F65 HydrophobicContact CB-CZ 3.85Å; L11-F65 HydrophobicContact CD1-CD1 3.83Å; L11-F65 HydrophobicContact CD1-CD2 4.41Å; L11-F65 HydrophobicContact CD1-CE1 3.93Å; L11-F65 HydrophobicContact CD1-CG 4.07Å; L11-F65 HydrophobicContact CD1-CZ 4.28Å; L11-F65 HydrophobicContact CD2-CD1 4.38Å; L11-F65 HydrophobicContact CD2-CE1 3.62Å; L11-F65 HydrophobicContact CD2-CE2 4.29Å; L11-F65 HydrophobicContact CD2-CZ 3.57Å; L11-F65 HydrophobicContact CG-CE1 4.17Å; L11-F65 HydrophobicContact CG-CE2 4.36Å; L11-F65 HydrophobicContact CG-CZ 4.09Å; L11-Q94 HydrophobicContact CD2-CB 3.7Å; L11-C98 HydrophobicContact CD1-CB 4Å |
| 12 | T | 86.3 | Confident | 76.6 | Confident | 78 Ų | 78 | 66.3 Ų | 66.3 | 48% | 0.479 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65 | -29.9 | 179.8 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | F8 Q10 Q94 | F8-T12 WeakPolarHBondContact O-CB 3.15Å; F8-T12 PolarHBondContact O-N 3.07Å; F8-T12 PolarHBondContact O-OG1 2.98Å; Q10-T12 VanDerWaalsContact C-N 3.31Å; Q10-T12 PolarHBondContact O-N 3.32Å; T12-Q94 PolarHBondContact OG1-NE2 3.45Å |
| 13 | S | 83.9 | Confident | 76.3 | Confident | 33 Ų | 33 | 66 Ų | 66 | 23% | 0.231 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -76 | -22.1 | 170.2 | 33.6 | 0 | 0 | 0 | 0 | 114.1 | S9 Q10 L11 G32 K39 | S9-S13 PolarHBondContact O-N 3.33Å; S9-S13 PolarHBondContact O-OG 3.38Å; Q10-S13 PolarHBondContact O-N 3.07Å; Q10-S13 PolarHBondContact O-OG 3.27Å; L11-S13 PolarHBondContact O-N 3.24Å; S13-G32 WeakPolarHBondContact O-CA 3.38Å; S13-K39 PolarHBondContact OG-NZ 3.17Å |
| 14 | L | 88.1 | Confident | 76.2 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -83.2 | -43.5 | 179.5 | -176.1 | 64 | 0 | 0 | 0 | 111.9 | Q10 L11 V33 Y36 F58 C61 | Q10-L14 PolarHBondContact O-N 3.22Å; L11-L14 WeakPolarHBondContact O-CB 3.35Å; L11-L14 PolarHBondContact O-N 3.29Å; L14-V33 HydrophobicContact CD1-CG2 4.3Å; L14-Y36 HydrophobicContact CB-CD2 4.09Å; L14-Y36 HydrophobicContact CB-CG 4.46Å; L14-Y36 HydrophobicContact CD1-CG 4.42Å; L14-Y36 HydrophobicContact CD2-CD2 4.09Å; L14-Y36 HydrophobicContact CD2-CG 4.31Å; L14-F58 HydrophobicContact CD1-CD2 3.85Å; L14-F58 HydrophobicContact CD1-CE2 3.62Å; L14-F58 HydrophobicContact CD1-CZ 4.17Å; L14-F58 HydrophobicContact CG-CE2 3.92Å; L14-F58 HydrophobicContact CG-CZ 3.98Å; L14-F58 WeakPolarHBondContact O-CE2 3.33Å; L14-F58 WeakPolarHBondContact O-CZ 3.46Å; L14-C61 HydrophobicContact CD1-CB 4.09Å; L14-C61 HydrophobicContact CD2-CB 3.92Å |
| 15 | L | 85.6 | Confident | 76.1 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 15% | 0.152 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -75.1 | 130.1 | -173.8 | -68.6 | 173.9 | 0 | 0 | 0 | 112.3 | L11 Q94 F101 | L11-L15 HydrophobicContact CD1-CD1 4.02Å; L11-L15 HydrophobicContact CD1-CG 4Å; L11-L15 HydrophobicContact CD2-CD1 3.99Å; L11-L15 HydrophobicContact CG-CD1 3.75Å; L11-L15 HydrophobicContact CG-CG 4.1Å; L11-L15 PolarHBondContact O-N 3.49Å; L15-Q94 HydrophobicContact CD1-CB 4.12Å; L15-Q94 HydrophobicContact CD1-CG 4.42Å; L15-F101 HydrophobicContact CD2-CD2 3.67Å; L15-F101 HydrophobicContact CD2-CE2 3.92Å |
| 16 | P | 78.2 | Confident | 76 | Confident | 30 Ų | 30 | 56 Ų | 56 | 20% | 0.195 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 146.3 | 175.4 | 27.1 | -32.4 | 0 | 0 | 0 | 112.1 | F101 F129 | P16-F101 HydrophobicContact CG-CE1 4.19Å; P16-F101 HydrophobicContact CG-CE2 3.98Å; P16-F101 HydrophobicContact CG-CZ 3.48Å; P16-F101 VanDerWaalsContact CG-CZ 3.48Å; P16-F129 HydrophobicContact CG-CZ 4.43Å |
| 17 | S | 71.9 | Confident | 75.8 | Confident | 67 Ų | 67 | 55.1 Ų | 55.1 | 47% | 0.469 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 148.1 | 177.5 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | D19 | S17-D19 PolarHBondContact O-N 3.42Š|
| 18 | S | 65 | Low | 75.7 | Confident | 101 Ų | 101 | 58.5 Ų | 58.5 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31.1 | 179.8 | 52.7 | 0 | 0 | 0 | 0 | 114.1 | F20 | S18-F20 VanDerWaalsContact C-N 3.28Å; S18-F20 PolarHBondContact O-N 2.87Å |
| 19 | D | 60 | Low | 75.6 | Confident | 143 Ų | 143 | 58.1 Ų | 58.1 | 77% | 0.765 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 30.2 | -168.2 | -56.8 | -10.3 | 0 | 0 | 0 | 112.9 | S17 | S17-D19 PolarHBondContact O-N 3.42Š|
| 20 | F | 61.6 | Low | 75.6 | Confident | 19 Ų | 19 | 62.3 Ų | 62.3 | 8% | 0.083 | 36% | 0.359 | C | S | . | . | trans | -77.2 | 126.9 | -168.2 | -173.5 | -105.5 | 0 | 0 | 0 | 114 | S18 E22 R28 K128 | S18-F20 VanDerWaalsContact C-N 3.28Å; S18-F20 PolarHBondContact O-N 2.87Å; F20-E22 HydrophobicContact CD2-CG 4.32Å; F20-E22 HydrophobicContact CE1-CB 3.82Å; F20-E22 HydrophobicContact CE1-CG 4.38Å; F20-E22 HydrophobicContact CE2-CB 3.81Å; F20-E22 HydrophobicContact CE2-CG 3.43Å; F20-E22 VanDerWaalsContact CE2-CG 3.43Å; F20-E22 WeakPolarHBondContact CE2-OE2 3.47Å; F20-E22 HydrophobicContact CZ-CB 3.31Å; F20-E22 VanDerWaalsContact CZ-CD 3.44Å; F20-E22 HydrophobicContact CZ-CG 3.51Å; F20-E22 WeakPolarHBondContact CZ-OE2 3.1Å; F20-R28 HydrophobicContact CD2-CG 4.17Å; F20-R28 HydrophobicContact CE1-CB 4.37Å; F20-R28 HydrophobicContact CE2-CB 3.86Å; F20-R28 VanDerWaalsContact CE2-CD 3.46Å; F20-R28 HydrophobicContact CE2-CG 3.51Å; F20-R28 HydrophobicContact CZ-CB 3.55Å; F20-R28 HydrophobicContact CZ-CG 3.74Å; F20-K128 PolarHBondContact O-NZ 2.95Å | ||
| 21 | C | 58 | Low | 75.5 | Confident | 126 Ų | 126 | 65.8 Ų | 65.8 | 85% | 0.851 | 38% | 0.375 | S | S | * | . | trans | -125.7 | 14.7 | -173 | -112.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 22 | E | 61.1 | Low | 75.4 | Confident | 89 Ų | 89 | 66 Ų | 66 | 42% | 0.416 | 38% | 0.378 | S | S | . | . | trans | -80.1 | 157.7 | 176.1 | -53.3 | 171.2 | -177 | 0 | 0 | 112.1 | F20 R28 | F20-E22 HydrophobicContact CD2-CG 4.32Å; F20-E22 HydrophobicContact CE1-CB 3.82Å; F20-E22 HydrophobicContact CE1-CG 4.38Å; F20-E22 HydrophobicContact CE2-CB 3.81Å; F20-E22 HydrophobicContact CE2-CG 3.43Å; F20-E22 VanDerWaalsContact CE2-CG 3.43Å; F20-E22 WeakPolarHBondContact CE2-OE2 3.47Å; F20-E22 HydrophobicContact CZ-CB 3.31Å; F20-E22 VanDerWaalsContact CZ-CD 3.44Å; F20-E22 HydrophobicContact CZ-CG 3.51Å; F20-E22 WeakPolarHBondContact CZ-OE2 3.1Å; E22-R28 IonicContact OE1-NH1 3.3Å | ||
| 23 | A | 61.4 | Low | 75.4 | Confident | 112 Ų | 112 | 63 Ų | 63 | 93% | 0.926 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -77.5 | -27.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 24 | D | 72.5 | Confident | 75.6 | Confident | 73 Ų | 73 | 66.3 Ų | 66.3 | 39% | 0.39 | 37% | 0.371 | S | S | . | . | trans | -124.4 | 109.7 | 177.8 | -173 | -4.7 | 0 | 0 | 0 | 111.4 | C26 I27 | D24-C26 PolarHBondContact O-N 2.76Å; D24-C26 VanDerWaalsContact OD1-CB 3.32Å; D24-C26 WeakPolarHBondContact OD1-CB 3.27Å; D24-C26 PolarHBondContact OD1-N 3.33Å; D24-C26 PolarHBondContact OD1-SG 3.17Å; D24-I27 HydrophobicContact CB-CD1 4.05Å; D24-I27 HydrophobicContact CB-CG1 4.23Å; D24-I27 PolarHBondContact O-N 3.04Å | ||
| 25 | P | 73.9 | Confident | 75.5 | Confident | 29 Ų | 29 | 67.7 Ų | 67.7 | 19% | 0.188 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.3 | -23.3 | 179.2 | 30.5 | -41 | 0 | 0 | 0 | 113.6 | I27 R28 L29 K128 F129 | P25-I27 VanDerWaalsContact C-N 3.32Å; P25-I27 PolarHBondContact O-N 3.15Å; P25-R28 PolarHBondContact O-N 3.16Å; P25-L29 WeakPolarHBondContact O-CG 3.38Å; P25-L29 PolarHBondContact O-N 3.31Å; P25-K128 WeakPolarHBondContact CB-O 3.38Å; P25-K128 WeakPolarHBondContact CG-O 3.3Å; P25-F129 HydrophobicContact CB-CD1 4.01Å; P25-F129 HydrophobicContact CB-CE1 3.94Å |
| 26 | C | 77.2 | Confident | 75.7 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 26% | 0.264 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.5 | -32.4 | -176.4 | -60.4 | 0 | 0 | 0 | 0 | 112.4 | D24 R28 L29 R30 | D24-C26 PolarHBondContact O-N 2.76Å; D24-C26 VanDerWaalsContact OD1-CB 3.32Å; D24-C26 WeakPolarHBondContact OD1-CB 3.27Å; D24-C26 PolarHBondContact OD1-N 3.33Å; D24-C26 PolarHBondContact OD1-SG 3.17Å; C26-R28 VanDerWaalsContact C-N 3.35Å; C26-L29 PolarHBondContact O-N 3.35Å; C26-R30 PolarHBondContact O-N 3.37Å |
| 27 | I | 79.1 | Confident | 76 | Confident | 90 Ų | 90 | 66 Ų | 66 | 46% | 0.462 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 178.6 | -60.8 | 175.5 | 0 | 0 | 0 | 109.3 | D24 P25 L29 R30 E31 | D24-I27 HydrophobicContact CB-CD1 4.05Å; D24-I27 HydrophobicContact CB-CG1 4.23Å; D24-I27 PolarHBondContact O-N 3.04Å; P25-I27 VanDerWaalsContact C-N 3.32Å; P25-I27 PolarHBondContact O-N 3.15Å; I27-L29 PolarHBondContact O-N 3.41Å; I27-R30 WeakPolarHBondContact O-CB 3.45Å; I27-R30 PolarHBondContact O-N 2.87Å; I27-R30 VanDerWaalsContact O-N 3.17Å; I27-E31 WeakPolarHBondContact O-CG 3.46Å; I27-E31 PolarHBondContact O-N 3.45Å |
| 28 | R | 80 | Confident | 76.6 | Confident | 87 Ų | 87 | 69.9 Ų | 69.9 | 33% | 0.328 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | -179.2 | -161.4 | 65.7 | 173.2 | 168.5 | 8.7 | 113.4 | F20 E22 P25 C26 R30 E31 G32 | F20-R28 HydrophobicContact CD2-CG 4.17Å; F20-R28 HydrophobicContact CE1-CB 4.37Å; F20-R28 HydrophobicContact CE2-CB 3.86Å; F20-R28 VanDerWaalsContact CE2-CD 3.46Å; F20-R28 HydrophobicContact CE2-CG 3.51Å; F20-R28 HydrophobicContact CZ-CB 3.55Å; F20-R28 HydrophobicContact CZ-CG 3.74Å; E22-R28 IonicContact OE1-NH1 3.3Å; P25-R28 PolarHBondContact O-N 3.16Å; C26-R28 VanDerWaalsContact C-N 3.35Å; R28-R30 VanDerWaalsContact C-N 3.3Å; R28-R30 PolarHBondContact O-N 3.46Å; R28-E31 IonicContact CZ-OE2 2.74Å; R28-E31 IonicContact NH1-OE2 3.32Å; R28-E31 PolarHBondContact NH1-OE2 3.14Å; R28-E31 PolarHBondContact O-N 3.09Å; R28-G32 PolarHBondContact O-N 3.24Å |
| 29 | L | 84.1 | Confident | 77.5 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 175.4 | -66.2 | 174 | 0 | 0 | 0 | 110.9 | P25 C26 I27 G32 V33 V54 H55 F58 F105 | P25-L29 WeakPolarHBondContact O-CG 3.38Å; P25-L29 PolarHBondContact O-N 3.31Å; C26-L29 PolarHBondContact O-N 3.35Å; I27-L29 PolarHBondContact O-N 3.41Å; L29-G32 PolarHBondContact O-N 3.14Å; L29-V33 WeakPolarHBondContact O-CG2 3.28Å; L29-V33 PolarHBondContact O-N 2.93Å; L29-V54 HydrophobicContact CB-CG1 3.73Å; L29-H55 VanDerWaalsContact CD1-ND1 3.34Å; L29-H55 WeakPolarHBondContact CD1-ND1 3.28Å; L29-F58 HydrophobicContact CB-CD2 3.97Å; L29-F58 HydrophobicContact CD2-CD1 4.32Å; L29-F58 HydrophobicContact CD2-CD2 3.49Å; L29-F58 VanDerWaalsContact CD2-CD2 3.49Å; L29-F58 HydrophobicContact CD2-CE1 4.28Å; L29-F58 HydrophobicContact CD2-CE2 3.43Å; L29-F58 VanDerWaalsContact CD2-CE2 3.43Å; L29-F58 HydrophobicContact CD2-CG 3.95Å; L29-F58 HydrophobicContact CD2-CZ 3.85Å; L29-F58 HydrophobicContact CG-CD2 4.3Å; L29-F105 HydrophobicContact CD1-CE2 3.82Å; L29-F105 HydrophobicContact CD1-CZ 3.82Å; L29-F105 HydrophobicContact CD2-CE2 3.93Å; L29-F105 HydrophobicContact CD2-CZ 4.43Å |
| 30 | R | 85.1 | Confident | 78.5 | Confident | 143 Ų | 143 | 64 Ų | 64 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.8 | -48.3 | 175.7 | -175.3 | -177.8 | -62.7 | -174.9 | 0.2 | 111.8 | C26 I27 R28 G32 V33 E34 V54 | C26-R30 PolarHBondContact O-N 3.37Å; I27-R30 WeakPolarHBondContact O-CB 3.45Å; I27-R30 PolarHBondContact O-N 2.87Å; I27-R30 VanDerWaalsContact O-N 3.17Å; R28-R30 VanDerWaalsContact C-N 3.3Å; R28-R30 PolarHBondContact O-N 3.46Å; R30-G32 VanDerWaalsContact C-N 3.25Å; R30-G32 PolarHBondContact O-N 2.95Å; R30-V33 PolarHBondContact O-N 3.19Å; R30-V33 VanDerWaalsContact O-N 3.13Å; R30-E34 HydrophobicContact CG-CG 4.44Å; R30-E34 WeakPolarHBondContact CG-OE1 3.41Å; R30-E34 WeakPolarHBondContact O-CG 3.45Å; R30-E34 PolarHBondContact O-N 3.37Å; R30-V54 HydrophobicContact CB-CG1 3.97Å; R30-V54 HydrophobicContact CB-CG2 4.47Å |
| 31 | E | 85 | Confident | 79.2 | Confident | 88 Ų | 88 | 69.9 Ų | 69.9 | 41% | 0.411 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55.5 | -43.4 | 175.6 | -71.2 | 179.7 | 168.2 | 0 | 0 | 111.5 | I27 R28 E34 A35 | I27-E31 WeakPolarHBondContact O-CG 3.46Å; I27-E31 PolarHBondContact O-N 3.45Å; R28-E31 IonicContact CZ-OE2 2.74Å; R28-E31 IonicContact NH1-OE2 3.32Å; R28-E31 PolarHBondContact NH1-OE2 3.14Å; R28-E31 PolarHBondContact O-N 3.09Å; E31-E34 PolarHBondContact O-N 3.09Å; E31-A35 VanDerWaalsContact O-CB 3.28Å; E31-A35 WeakPolarHBondContact O-CB 3.43Å; E31-A35 PolarHBondContact O-N 3.26Å |
| 32 | G | 84.9 | Confident | 80.1 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 5% | 0.052 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | S13 R28 L29 R30 Y36 | S13-G32 WeakPolarHBondContact O-CA 3.38Å; R28-G32 PolarHBondContact O-N 3.24Å; L29-G32 PolarHBondContact O-N 3.14Å; R30-G32 VanDerWaalsContact C-N 3.25Å; R30-G32 PolarHBondContact O-N 2.95Å; G32-Y36 WeakPolarHBondContact O-CB 3.16Å; G32-Y36 PolarHBondContact O-N 2.72Å |
| 33 | V | 87.7 | Confident | 80.9 | Confident | 14 Ų | 14 | 70.3 Ų | 70.3 | 9% | 0.085 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.4 | -49.5 | 175.6 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | L14 L29 R30 A35 Y36 V37 L49 A57 F58 | L14-V33 HydrophobicContact CD1-CG2 4.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.28Å; L29-V33 PolarHBondContact O-N 2.93Å; R30-V33 PolarHBondContact O-N 3.19Å; R30-V33 VanDerWaalsContact O-N 3.13Å; V33-A35 VanDerWaalsContact C-N 3.33Å; V33-A35 PolarHBondContact O-N 3.19Å; V33-Y36 PolarHBondContact O-N 2.87Å; V33-V37 HydrophobicContact CG1-CG2 4.24Å; V33-V37 VanDerWaalsContact O-CG2 3.26Å; V33-V37 WeakPolarHBondContact O-CG2 3.35Å; V33-V37 PolarHBondContact O-N 3.05Å; V33-L49 HydrophobicContact CG1-CD1 4.39Å; V33-A57 HydrophobicContact CG1-CB 4.28Å; V33-A57 HydrophobicContact CG2-CB 4.36Å; V33-F58 HydrophobicContact CG2-CB 4.01Å; V33-F58 HydrophobicContact CG2-CD2 3.95Å; V33-F58 HydrophobicContact CG2-CG 4.42Å |
| 34 | E | 86.9 | Confident | 81.6 | Confident | 104 Ų | 104 | 70.9 Ų | 70.9 | 49% | 0.486 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | 179.6 | -71.8 | 175.4 | -171.2 | 0 | 0 | 111.2 | R30 E31 Y36 V37 Q38 | R30-E34 HydrophobicContact CG-CG 4.44Å; R30-E34 WeakPolarHBondContact CG-OE1 3.41Å; R30-E34 WeakPolarHBondContact O-CG 3.45Å; R30-E34 PolarHBondContact O-N 3.37Å; E31-E34 PolarHBondContact O-N 3.09Å; E34-Y36 VanDerWaalsContact C-N 3.34Å; E34-Y36 PolarHBondContact O-N 3.03Å; E34-V37 PolarHBondContact O-N 2.97Å; E34-Q38 WeakPolarHBondContact O-CB 2.97Å; E34-Q38 WeakPolarHBondContact O-CG 3.5Å; E34-Q38 PolarHBondContact O-N 3.03Å |
| 35 | A | 86.2 | Confident | 82 | Confident | 31 Ų | 31 | 68 Ų | 68 | 26% | 0.256 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.7 | -36 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E31 V33 K39 | E31-A35 VanDerWaalsContact O-CB 3.28Å; E31-A35 WeakPolarHBondContact O-CB 3.43Å; E31-A35 PolarHBondContact O-N 3.26Å; V33-A35 VanDerWaalsContact C-N 3.33Å; V33-A35 PolarHBondContact O-N 3.19Å; A35-K39 WeakPolarHBondContact O-CG 3.42Å; A35-K39 PolarHBondContact O-N 2.79Å |
| 36 | Y | 89.2 | Confident | 82.2 | Confident | 3 Ų | 3 | 70.8 Ų | 70.8 | 1% | 0.012 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.1 | -48.6 | 176.5 | -178 | -93.6 | 0 | 0 | 0 | 111.5 | Q10 L14 G32 V33 E34 Q38 K39 S40 L45 C61 F65 | Q10-Y36 HydrophobicContact CB-CD2 3.83Å; Q10-Y36 HydrophobicContact CB-CE2 3.71Å; L14-Y36 HydrophobicContact CB-CD2 4.09Å; L14-Y36 HydrophobicContact CB-CG 4.46Å; L14-Y36 HydrophobicContact CD1-CG 4.42Å; L14-Y36 HydrophobicContact CD2-CD2 4.09Å; L14-Y36 HydrophobicContact CD2-CG 4.31Å; G32-Y36 WeakPolarHBondContact O-CB 3.16Å; G32-Y36 PolarHBondContact O-N 2.72Å; V33-Y36 PolarHBondContact O-N 2.87Å; E34-Y36 VanDerWaalsContact C-N 3.34Å; E34-Y36 PolarHBondContact O-N 3.03Å; Y36-Q38 PolarHBondContact O-N 2.74Å; Y36-K39 PolarHBondContact O-N 3.14Å; Y36-K39 VanDerWaalsContact O-N 3.12Å; Y36-S40 WeakPolarHBondContact O-CB 3.4Å; Y36-S40 PolarHBondContact O-N 2.98Å; Y36-S40 PolarHBondContact O-OG 3.05Å; Y36-L45 HydrophobicContact CD1-CD2 4.17Å; Y36-L45 HydrophobicContact CE1-CD2 3.89Å; Y36-C61 HydrophobicContact CD1-CB 3.72Å; Y36-C61 HydrophobicContact CE1-CB 4.03Å; Y36-C61 HydrophobicContact CG-CB 4.32Å; Y36-F65 HydrophobicContact CE2-CB 4.21Å; Y36-F65 HydrophobicContact CE2-CD2 4.46Å; Y36-F65 WeakPolarHBondContact OH-CA 3.2Å; Y36-F65 WeakPolarHBondContact OH-CB 3.4Å; Y36-F65 PolarHBondContact OH-N 2.93Å |
| 37 | V | 86 | Confident | 82.3 | Confident | 21 Ų | 21 | 76.7 Ų | 76.7 | 13% | 0.127 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | -178.6 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | V33 E34 K39 S40 N41 L45 L46 L49 | V33-V37 HydrophobicContact CG1-CG2 4.24Å; V33-V37 VanDerWaalsContact O-CG2 3.26Å; V33-V37 WeakPolarHBondContact O-CG2 3.35Å; V33-V37 PolarHBondContact O-N 3.05Å; E34-V37 PolarHBondContact O-N 2.97Å; V37-K39 PolarHBondContact O-N 3.3Å; V37-S40 PolarHBondContact O-N 3.17Å; V37-S40 PolarHBondContact O-OG 2.99Å; V37-N41 PolarHBondContact O-N 3.43Å; V37-L45 HydrophobicContact CG2-CD2 4.18Å; V37-L46 HydrophobicContact CG1-CD1 3.53Å; V37-L46 HydrophobicContact CG1-CG 4.18Å; V37-L49 HydrophobicContact CG2-CD1 3.38Å |
| 38 | Q | 84.7 | Confident | 82.2 | Confident | 149 Ų | 149 | 76.4 Ų | 76.4 | 70% | 0.696 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.2 | -32.4 | 176.1 | -75.4 | 178.9 | 6.9 | 0 | 0 | 113 | E34 Y36 N41 | E34-Q38 WeakPolarHBondContact O-CB 2.97Å; E34-Q38 WeakPolarHBondContact O-CG 3.5Å; E34-Q38 PolarHBondContact O-N 3.03Å; Y36-Q38 PolarHBondContact O-N 2.74Å; Q38-N41 PolarHBondContact O-OD1 3Å |
| 39 | K | 82.8 | Confident | 82.4 | Confident | 93 Ų | 93 | 73.2 Ų | 73.2 | 40% | 0.404 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -87.9 | -23.7 | 179.4 | -71.1 | 179.7 | -180 | 177 | 0 | 113.6 | S9 Q10 S13 A35 Y36 V37 | S9-K39 PolarHBondContact O-NZ 3.4Å; Q10-K39 HydrophobicContact CG-CB 3.7Å; Q10-K39 HydrophobicContact CG-CD 4.28Å; Q10-K39 PolarHBondContact NE2-O 3.5Å; S13-K39 PolarHBondContact OG-NZ 3.17Å; A35-K39 WeakPolarHBondContact O-CG 3.42Å; A35-K39 PolarHBondContact O-N 2.79Å; Y36-K39 PolarHBondContact O-N 3.14Å; Y36-K39 VanDerWaalsContact O-N 3.12Å; V37-K39 PolarHBondContact O-N 3.3Å |
| 40 | S | 81.4 | Confident | 82 | Confident | 27 Ų | 27 | 78.8 Ų | 78.8 | 19% | 0.189 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -81.2 | -31.4 | -178 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | Y36 V37 D42 | Y36-S40 WeakPolarHBondContact O-CB 3.4Å; Y36-S40 PolarHBondContact O-N 2.98Å; Y36-S40 PolarHBondContact O-OG 3.05Å; V37-S40 PolarHBondContact O-N 3.17Å; V37-S40 PolarHBondContact O-OG 2.99Å; S40-D42 PolarHBondContact O-N 3.47Å |
| 41 | N | 76.6 | Confident | 81.7 | Confident | 142 Ų | 142 | 76.3 Ų | 76.3 | 76% | 0.759 | 41% | 0.409 | S | S | * | . | trans | 52.8 | 32.5 | -174.4 | -78.2 | -10.9 | 0 | 0 | 0 | 113.6 | V37 Q38 | V37-N41 PolarHBondContact O-N 3.43Å; Q38-N41 PolarHBondContact O-OD1 3Å | ||
| 42 | D | 77.3 | Confident | 81.6 | Confident | 56 Ų | 56 | 74.1 Ų | 74.1 | 30% | 0.299 | 40% | 0.402 | S | S | . | . | trans | -96.1 | 101.4 | -179.6 | -164.5 | -6.7 | 0 | 0 | 0 | 110.6 | S40 N44 L45 L46 N64 | S40-D42 PolarHBondContact O-N 3.47Å; D42-N44 VanDerWaalsContact C-N 3.26Å; D42-N44 PolarHBondContact O-N 3.23Å; D42-L45 HydrophobicContact CB-CB 4Å; D42-L45 WeakPolarHBondContact O-CB 3.4Å; D42-L45 PolarHBondContact O-N 3.27Å; D42-L46 PolarHBondContact O-N 3.04Å; D42-N64 PolarHBondContact OD2-ND2 3.46Å | ||
| 43 | E | 76.3 | Confident | 81.7 | Confident | 168 Ų | 168 | 78.5 Ų | 78.5 | 79% | 0.785 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.5 | -32.5 | -176.9 | -67.4 | -172 | 170.3 | 0 | 0 | 112.7 | L46 F47 | E43-L46 PolarHBondContact O-N 2.95Å; E43-F47 PolarHBondContact O-N 2.74Å; E43-F47 VanDerWaalsContact O-N 3.15Å |
| 44 | N | 77.7 | Confident | 81.6 | Confident | 125 Ų | 125 | 79.1 Ų | 79.1 | 67% | 0.668 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.2 | -39.7 | 178.9 | -67.7 | -37.3 | 0 | 0 | 0 | 111.4 | D42 L46 F47 D48 | D42-N44 VanDerWaalsContact C-N 3.26Å; D42-N44 PolarHBondContact O-N 3.23Å; N44-L46 VanDerWaalsContact C-N 3.29Å; N44-L46 PolarHBondContact O-N 3.45Å; N44-F47 PolarHBondContact O-N 2.98Å; N44-D48 PolarHBondContact O-N 3.34Å; N44-D48 VanDerWaalsContact O-N 3.16Å |
| 45 | L | 80.6 | Confident | 81.6 | Confident | 11 Ų | 11 | 75.1 Ų | 75.1 | 6% | 0.058 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 174.2 | -173.9 | 73.8 | 0 | 0 | 0 | 110.2 | Y36 V37 D42 F47 D48 L49 N64 | Y36-L45 HydrophobicContact CD1-CD2 4.17Å; Y36-L45 HydrophobicContact CE1-CD2 3.89Å; V37-L45 HydrophobicContact CG2-CD2 4.18Å; D42-L45 HydrophobicContact CB-CB 4Å; D42-L45 WeakPolarHBondContact O-CB 3.4Å; D42-L45 PolarHBondContact O-N 3.27Å; L45-F47 VanDerWaalsContact C-N 3.27Å; L45-F47 PolarHBondContact O-N 3.34Å; L45-D48 PolarHBondContact O-N 3.08Å; L45-L49 HydrophobicContact CD2-CD1 4.18Å; L45-L49 HydrophobicContact CG-CD1 3.85Å; L45-L49 HydrophobicContact CG-CG 4.24Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 3.28Å; L45-N64 HydrophobicContact CD1-CB 3.8Å |
| 46 | L | 78.3 | Confident | 81.7 | Confident | 88 Ų | 88 | 74.9 Ų | 74.9 | 46% | 0.461 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.2 | -34.6 | -177.8 | -153.7 | 142.1 | 0 | 0 | 0 | 112.1 | V37 D42 E43 N44 N50 | V37-L46 HydrophobicContact CG1-CD1 3.53Å; V37-L46 HydrophobicContact CG1-CG 4.18Å; D42-L46 PolarHBondContact O-N 3.04Å; E43-L46 PolarHBondContact O-N 2.95Å; N44-L46 VanDerWaalsContact C-N 3.29Å; N44-L46 PolarHBondContact O-N 3.45Å; L46-N50 PolarHBondContact O-N 3.41Å; L46-N50 PolarHBondContact O-ND2 2.82Å |
| 47 | F | 78.3 | Confident | 81.7 | Confident | 164 Ų | 164 | 75.1 Ų | 75.1 | 72% | 0.719 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.7 | -47 | 172 | -174.4 | -95 | 0 | 0 | 0 | 112.1 | E43 N44 L45 L49 N50 | E43-F47 PolarHBondContact O-N 2.74Å; E43-F47 VanDerWaalsContact O-N 3.15Å; N44-F47 PolarHBondContact O-N 2.98Å; L45-F47 VanDerWaalsContact C-N 3.27Å; L45-F47 PolarHBondContact O-N 3.34Å; F47-L49 PolarHBondContact O-N 3.27Å; F47-N50 PolarHBondContact O-N 2.91Å |
| 48 | D | 77.2 | Confident | 81.9 | Confident | 83 Ų | 83 | 74.1 Ų | 74.1 | 44% | 0.444 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.3 | -25.7 | -179.9 | -80.8 | -4.6 | 0 | 0 | 0 | 113.3 | N44 L45 T52 | N44-D48 PolarHBondContact O-N 3.34Å; N44-D48 VanDerWaalsContact O-N 3.16Å; L45-D48 PolarHBondContact O-N 3.08Å; D48-T52 WeakPolarHBondContact O-CG2 3.41Å |
| 49 | L | 83.7 | Confident | 82.3 | Confident | 21 Ų | 21 | 67.4 Ų | 67.4 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -81.4 | -23.3 | 179.7 | -67.5 | 172.3 | 0 | 0 | 0 | 113.2 | V33 V37 L45 F47 G51 T52 A57 L60 | V33-L49 HydrophobicContact CG1-CD1 4.39Å; V37-L49 HydrophobicContact CG2-CD1 3.38Å; L45-L49 HydrophobicContact CD2-CD1 4.18Å; L45-L49 HydrophobicContact CG-CD1 3.85Å; L45-L49 HydrophobicContact CG-CG 4.24Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 3.28Å; F47-L49 PolarHBondContact O-N 3.27Å; L49-G51 PolarHBondContact O-N 3.49Å; L49-T52 PolarHBondContact O-N 3.49Å; L49-T52 PolarHBondContact O-OG1 3.06Å; L49-A57 VanDerWaalsContact CD2-CA 3.41Å; L49-A57 HydrophobicContact CD2-CB 3.65Å; L49-A57 WeakPolarHBondContact CD2-O 3.5Å; L49-L60 HydrophobicContact CD2-CB 4.1Å; L49-L60 HydrophobicContact CD2-CD1 4.36Å |
| 50 | N | 77 | Confident | 82.7 | Confident | 119 Ų | 119 | 63.9 Ų | 63.9 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 120.6 | -174.5 | -83.1 | -27.5 | 0 | 0 | 0 | 111.8 | L46 F47 T52 | L46-N50 PolarHBondContact O-N 3.41Å; L46-N50 PolarHBondContact O-ND2 2.82Å; F47-N50 PolarHBondContact O-N 2.91Å; N50-T52 VanDerWaalsContact C-N 3.35Å |
| 51 | G | 77.5 | Confident | 83.2 | Confident | 90 Ų | 90 | 62.6 Ų | 62.6 | 93% | 0.928 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | 3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | L49 | L49-G51 PolarHBondContact O-N 3.49Š|
| 52 | T | 84.2 | Confident | 83.9 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 26% | 0.258 | 31% | 0.305 | S | S | . | . | trans | -86.3 | 151.6 | 175.8 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | D48 L49 N50 E56 L60 | D48-T52 WeakPolarHBondContact O-CG2 3.41Å; L49-T52 PolarHBondContact O-N 3.49Å; L49-T52 PolarHBondContact O-OG1 3.06Å; N50-T52 VanDerWaalsContact C-N 3.35Å; T52-E56 HydrophobicContact CG2-CG 4.27Å; T52-L60 HydrophobicContact CG2-CD1 4.5Å | ||
| 53 | E | 85.6 | Confident | 84.6 | Confident | 97 Ų | 97 | 53.6 Ų | 53.6 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | trans | -67 | 154.3 | 172.7 | -74.6 | 176.1 | -160.3 | 0 | 0 | 111.3 | H55 E56 A57 K134 | E53-H55 VanDerWaalsContact C-N 3.29Å; E53-H55 PolarHBondContact O-N 3.41Å; E53-E56 WeakPolarHBondContact O-CA 3.19Å; E53-E56 WeakPolarHBondContact O-CB 3.27Å; E53-E56 PolarHBondContact O-N 3.4Å; E53-A57 PolarHBondContact O-N 2.78Å; E53-K134 IonicContact OE1-NZ 3.14Å; E53-K134 PolarHBondContact OE1-NZ 2.92Å; E53-K134 VanDerWaalsContact OE1-NZ 3.14Å; E53-K134 VanDerWaalsContact OE2-CE 3.28Å; E53-K134 WeakPolarHBondContact OE2-CE 3.37Å; E53-K134 IonicContact OE2-NZ 2.72Å; E53-K134 PolarHBondContact OE2-NZ 3.34Å | ||
| 54 | V | 86.8 | Confident | 85.4 | Confident | 27 Ų | 27 | 47.3 Ų | 47.3 | 16% | 0.164 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.1 | -40.6 | -174.4 | -178.5 | 0 | 0 | 0 | 0 | 112.9 | L29 R30 E56 F58 | L29-V54 HydrophobicContact CB-CG1 3.73Å; R30-V54 HydrophobicContact CB-CG1 3.97Å; R30-V54 HydrophobicContact CB-CG2 4.47Å; V54-E56 VanDerWaalsContact C-N 3.33Å; V54-E56 PolarHBondContact O-N 2.94Å; V54-F58 WeakPolarHBondContact O-CB 3.5Å; V54-F58 PolarHBondContact O-N 3.5Å |
| 55 | H | 86.8 | Confident | 86 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 10% | 0.097 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.4 | -34.6 | 177.5 | -58.5 | -66.9 | 0 | 0 | 0 | 112.6 | L29 E53 Y59 F105 | L29-H55 VanDerWaalsContact CD1-ND1 3.34Å; L29-H55 WeakPolarHBondContact CD1-ND1 3.28Å; E53-H55 VanDerWaalsContact C-N 3.29Å; E53-H55 PolarHBondContact O-N 3.41Å; H55-Y59 WeakPolarHBondContact O-CD1 3.36Å; H55-Y59 PolarHBondContact O-N 2.71Å; H55-F105 HydrophobicContact CB-CB 4.32Å; H55-F105 HydrophobicContact CB-CD1 4.44Å; H55-F105 HydrophobicContact CB-CG 4.26Å; H55-F105 AromaticContact ND1-CE1 3.82Å; H55-F105 AromaticContact ND1-CZ 3.99Å |
| 56 | E | 88.1 | Confident | 86.5 | Confident | 25 Ų | 25 | 40.9 Ų | 40.9 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.3 | -47.9 | 177.7 | 178.8 | 159.5 | -174 | 0 | 0 | 110.8 | T52 E53 V54 F58 Y59 L60 K143 | T52-E56 HydrophobicContact CG2-CG 4.27Å; E53-E56 WeakPolarHBondContact O-CA 3.19Å; E53-E56 WeakPolarHBondContact O-CB 3.27Å; E53-E56 PolarHBondContact O-N 3.4Å; V54-E56 VanDerWaalsContact C-N 3.33Å; V54-E56 PolarHBondContact O-N 2.94Å; E56-F58 PolarHBondContact O-N 3.44Å; E56-Y59 VanDerWaalsContact CA-CE1 3.46Å; E56-Y59 HydrophobicContact CB-CD1 4.5Å; E56-Y59 HydrophobicContact CB-CE1 3.93Å; E56-Y59 HydrophobicContact CG-CE1 3.73Å; E56-Y59 WeakPolarHBondContact O-CD1 3.47Å; E56-Y59 PolarHBondContact O-N 3.18Å; E56-L60 HydrophobicContact CG-CD1 4.07Å; E56-L60 WeakPolarHBondContact O-CB 3.44Å; E56-L60 VanDerWaalsContact O-CG 3.28Å; E56-L60 WeakPolarHBondContact O-CG 3.42Å; E56-L60 PolarHBondContact O-N 3.13Å; E56-K143 WeakPolarHBondContact OE1-CD 3.39Å; E56-K143 WeakPolarHBondContact OE1-CE 3.49Å; E56-K143 IonicContact OE1-NZ 3.03Å; E56-K143 PolarHBondContact OE1-NZ 3.18Å; E56-K143 IonicContact OE2-NZ 2.97Å; E56-K143 PolarHBondContact OE2-NZ 2.91Å |
| 57 | A | 89.2 | Confident | 87 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 7% | 0.074 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -52.7 | -43.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V33 L49 E53 L60 C61 | V33-A57 HydrophobicContact CG1-CB 4.28Å; V33-A57 HydrophobicContact CG2-CB 4.36Å; L49-A57 VanDerWaalsContact CD2-CA 3.41Å; L49-A57 HydrophobicContact CD2-CB 3.65Å; L49-A57 WeakPolarHBondContact CD2-O 3.5Å; E53-A57 PolarHBondContact O-N 2.78Å; A57-L60 PolarHBondContact O-N 3.33Å; A57-C61 PolarHBondContact O-N 2.91Å; A57-C61 PolarHBondContact O-SG 3.5Å; A57-C61 VanDerWaalsContact O-SG 3.37Å |
| 58 | F | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62 | -51.8 | -179.7 | -168.8 | -85.6 | 0 | 0 | 0 | 112.8 | L14 L29 V33 V54 E56 L60 C61 C62 F101 F105 | L14-F58 HydrophobicContact CD1-CD2 3.85Å; L14-F58 HydrophobicContact CD1-CE2 3.62Å; L14-F58 HydrophobicContact CD1-CZ 4.17Å; L14-F58 HydrophobicContact CG-CE2 3.92Å; L14-F58 HydrophobicContact CG-CZ 3.98Å; L14-F58 WeakPolarHBondContact O-CE2 3.33Å; L14-F58 WeakPolarHBondContact O-CZ 3.46Å; L29-F58 HydrophobicContact CB-CD2 3.97Å; L29-F58 HydrophobicContact CD2-CD1 4.32Å; L29-F58 HydrophobicContact CD2-CD2 3.49Å; L29-F58 VanDerWaalsContact CD2-CD2 3.49Å; L29-F58 HydrophobicContact CD2-CE1 4.28Å; L29-F58 HydrophobicContact CD2-CE2 3.43Å; L29-F58 VanDerWaalsContact CD2-CE2 3.43Å; L29-F58 HydrophobicContact CD2-CG 3.95Å; L29-F58 HydrophobicContact CD2-CZ 3.85Å; L29-F58 HydrophobicContact CG-CD2 4.3Å; V33-F58 HydrophobicContact CG2-CB 4.01Å; V33-F58 HydrophobicContact CG2-CD2 3.95Å; V33-F58 HydrophobicContact CG2-CG 4.42Å; V54-F58 WeakPolarHBondContact O-CB 3.5Å; V54-F58 PolarHBondContact O-N 3.5Å; E56-F58 PolarHBondContact O-N 3.44Å; F58-L60 VanDerWaalsContact C-N 3.29Å; F58-L60 PolarHBondContact O-N 2.79Å; F58-C61 WeakPolarHBondContact O-CB 3.37Å; F58-C61 PolarHBondContact O-N 2.94Å; F58-C62 PolarHBondContact O-N 2.73Å; F58-C62 PolarHBondContact O-SG 2.92Å; F58-F101 HydrophobicContact CD1-CB 4.3Å; F58-F101 HydrophobicContact CE1-CB 3.73Å; F58-F101 HydrophobicContact CE1-CD1 4.27Å; F58-F101 HydrophobicContact CE1-CD2 4.25Å; F58-F101 AromaticContact CE1-CG 3.83Å; F58-F101 HydrophobicContact CE1-CG 3.83Å; F58-F105 AromaticContact CD1-CD2 3.91Å; F58-F105 HydrophobicContact CD1-CD2 3.91Å; F58-F105 HydrophobicContact CD1-CE2 4.08Å; F58-F105 HydrophobicContact CE1-CE2 4.44Å; F58-F105 HydrophobicContact CG-CD2 4.5Å |
| 59 | Y | 91.6 | Very high | 87.8 | Confident | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.027 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.6 | -29.3 | -179.4 | 84.2 | -107.7 | 0 | 0 | 0 | 112 | H55 E56 C62 L63 F105 I147 | H55-Y59 WeakPolarHBondContact O-CD1 3.36Å; H55-Y59 PolarHBondContact O-N 2.71Å; E56-Y59 VanDerWaalsContact CA-CE1 3.46Å; E56-Y59 HydrophobicContact CB-CD1 4.5Å; E56-Y59 HydrophobicContact CB-CE1 3.93Å; E56-Y59 HydrophobicContact CG-CE1 3.73Å; E56-Y59 WeakPolarHBondContact O-CD1 3.47Å; E56-Y59 PolarHBondContact O-N 3.18Å; Y59-C62 WeakPolarHBondContact O-CB 3.15Å; Y59-C62 PolarHBondContact O-N 2.91Å; Y59-L63 HydrophobicContact CD2-CD1 3.74Å; Y59-L63 HydrophobicContact CD2-CG 4.24Å; Y59-L63 HydrophobicContact CE2-CD1 3.86Å; Y59-L63 WeakPolarHBondContact O-CG 3.37Å; Y59-L63 PolarHBondContact O-N 3.33Å; Y59-F105 HydrophobicContact CD1-CB 4.38Å; Y59-I147 HydrophobicContact CD2-CD1 4.46Å; Y59-I147 HydrophobicContact CD2-CG1 4.49Å; Y59-I147 HydrophobicContact CE2-CD1 4.18Å; Y59-I147 HydrophobicContact CE2-CG1 4.25Å |
| 60 | L | 91.7 | Very high | 87.9 | Confident | 19 Ų | 19 | 29.1 Ų | 29.1 | 10% | 0.099 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.4 | -42 | 173.6 | -72.4 | 172.2 | 0 | 0 | 0 | 111.4 | L49 T52 E56 A57 F58 C62 L63 N64 | L49-L60 HydrophobicContact CD2-CB 4.1Å; L49-L60 HydrophobicContact CD2-CD1 4.36Å; T52-L60 HydrophobicContact CG2-CD1 4.5Å; E56-L60 HydrophobicContact CG-CD1 4.07Å; E56-L60 WeakPolarHBondContact O-CB 3.44Å; E56-L60 VanDerWaalsContact O-CG 3.28Å; E56-L60 WeakPolarHBondContact O-CG 3.42Å; E56-L60 PolarHBondContact O-N 3.13Å; A57-L60 PolarHBondContact O-N 3.33Å; F58-L60 VanDerWaalsContact C-N 3.29Å; F58-L60 PolarHBondContact O-N 2.79Å; L60-C62 VanDerWaalsContact C-N 3.34Å; L60-C62 PolarHBondContact O-N 3.21Å; L60-L63 HydrophobicContact CD2-CD1 4.39Å; L60-L63 PolarHBondContact O-N 3.02Å; L60-N64 PolarHBondContact O-N 3.28Å |
| 61 | C | 91.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 170.7 | -71 | 0 | 0 | 0 | 0 | 112 | L14 Y36 A57 F58 L63 N64 F65 | L14-C61 HydrophobicContact CD1-CB 4.09Å; L14-C61 HydrophobicContact CD2-CB 3.92Å; Y36-C61 HydrophobicContact CD1-CB 3.72Å; Y36-C61 HydrophobicContact CE1-CB 4.03Å; Y36-C61 HydrophobicContact CG-CB 4.32Å; A57-C61 PolarHBondContact O-N 2.91Å; A57-C61 PolarHBondContact O-SG 3.5Å; A57-C61 VanDerWaalsContact O-SG 3.37Å; F58-C61 WeakPolarHBondContact O-CB 3.37Å; F58-C61 PolarHBondContact O-N 2.94Å; C61-L63 PolarHBondContact O-N 3.42Å; C61-N64 PolarHBondContact O-N 3.04Å; C61-F65 PolarHBondContact O-N 3.4Å |
| 62 | C | 92.3 | Very high | 88 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 174.5 | -68 | 0 | 0 | 0 | 0 | 112.5 | F58 Y59 L60 F65 L66 C98 V102 | F58-C62 PolarHBondContact O-N 2.73Å; F58-C62 PolarHBondContact O-SG 2.92Å; Y59-C62 WeakPolarHBondContact O-CB 3.15Å; Y59-C62 PolarHBondContact O-N 2.91Å; L60-C62 VanDerWaalsContact C-N 3.34Å; L60-C62 PolarHBondContact O-N 3.21Å; C62-F65 WeakPolarHBondContact O-CB 3.28Å; C62-F65 PolarHBondContact O-N 3.37Å; C62-L66 VanDerWaalsContact O-CG 3.29Å; C62-L66 WeakPolarHBondContact O-CG 3.39Å; C62-L66 PolarHBondContact O-N 3.17Å; C62-C98 VanDerWaalsContact CB-SG 3.54Å; C62-V102 HydrophobicContact CB-CG2 3.4Å |
| 63 | L | 92.2 | Very high | 87.2 | Confident | 10 Ų | 10 | 23.8 Ų | 23.8 | 5% | 0.052 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 176.9 | -71.7 | 175.9 | 0 | 0 | 0 | 111.4 | Y59 L60 C61 F65 L66 Y67 V102 I147 C150 | Y59-L63 HydrophobicContact CD2-CD1 3.74Å; Y59-L63 HydrophobicContact CD2-CG 4.24Å; Y59-L63 HydrophobicContact CE2-CD1 3.86Å; Y59-L63 WeakPolarHBondContact O-CG 3.37Å; Y59-L63 PolarHBondContact O-N 3.33Å; L60-L63 HydrophobicContact CD2-CD1 4.39Å; L60-L63 PolarHBondContact O-N 3.02Å; C61-L63 PolarHBondContact O-N 3.42Å; L63-F65 VanDerWaalsContact C-N 3.33Å; L63-F65 PolarHBondContact O-N 3.44Å; L63-L66 PolarHBondContact O-N 3.1Å; L63-Y67 WeakPolarHBondContact O-CD2 3.48Å; L63-Y67 PolarHBondContact O-N 3.03Å; L63-V102 HydrophobicContact CD2-CG1 3.93Å; L63-V102 HydrophobicContact CD2-CG2 4.42Å; L63-I147 HydrophobicContact CD1-CG1 4.02Å; L63-C150 HydrophobicContact CD2-CB 3.6Å |
| 64 | N | 91.5 | Very high | 86.4 | Confident | 35 Ų | 35 | 24.9 Ų | 24.9 | 19% | 0.187 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 176.8 | -169.2 | 4.3 | 0 | 0 | 0 | 110.9 | D42 L45 L60 C61 L66 Y67 A68 | D42-N64 PolarHBondContact OD2-ND2 3.46Å; L45-N64 HydrophobicContact CD1-CB 3.8Å; L60-N64 PolarHBondContact O-N 3.28Å; C61-N64 PolarHBondContact O-N 3.04Å; N64-L66 VanDerWaalsContact C-N 3.33Å; N64-L66 PolarHBondContact O-N 2.89Å; N64-Y67 PolarHBondContact O-N 3.27Å; N64-A68 WeakPolarHBondContact O-CB 3.43Å; N64-A68 PolarHBondContact O-N 3.03Å |
| 65 | F | 91.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.4 | -46.6 | 174.6 | 172.9 | -96.1 | 0 | 0 | 0 | 112.5 | L7 F8 L11 Y36 C61 C62 L63 Y67 A68 C69 L95 | L7-F65 HydrophobicContact CB-CE2 3.99Å; L7-F65 HydrophobicContact CD2-CD2 3.69Å; L7-F65 HydrophobicContact CD2-CE2 3.89Å; L7-F65 WeakPolarHBondContact O-CE2 3.49Å; F8-F65 HydrophobicContact CD1-CZ 4.45Å; F8-F65 HydrophobicContact CE1-CZ 4.27Å; F8-F65 HydrophobicContact CZ-CZ 4.32Å; L11-F65 HydrophobicContact CB-CD2 4.05Å; L11-F65 HydrophobicContact CB-CE1 4.37Å; L11-F65 HydrophobicContact CB-CE2 3.67Å; L11-F65 HydrophobicContact CB-CZ 3.85Å; L11-F65 HydrophobicContact CD1-CD1 3.83Å; L11-F65 HydrophobicContact CD1-CD2 4.41Å; L11-F65 HydrophobicContact CD1-CE1 3.93Å; L11-F65 HydrophobicContact CD1-CG 4.07Å; L11-F65 HydrophobicContact CD1-CZ 4.28Å; L11-F65 HydrophobicContact CD2-CD1 4.38Å; L11-F65 HydrophobicContact CD2-CE1 3.62Å; L11-F65 HydrophobicContact CD2-CE2 4.29Å; L11-F65 HydrophobicContact CD2-CZ 3.57Å; L11-F65 HydrophobicContact CG-CE1 4.17Å; L11-F65 HydrophobicContact CG-CE2 4.36Å; L11-F65 HydrophobicContact CG-CZ 4.09Å; Y36-F65 HydrophobicContact CE2-CB 4.21Å; Y36-F65 HydrophobicContact CE2-CD2 4.46Å; Y36-F65 WeakPolarHBondContact OH-CA 3.2Å; Y36-F65 WeakPolarHBondContact OH-CB 3.4Å; Y36-F65 PolarHBondContact OH-N 2.93Å; C61-F65 PolarHBondContact O-N 3.4Å; C62-F65 WeakPolarHBondContact O-CB 3.28Å; C62-F65 PolarHBondContact O-N 3.37Å; L63-F65 VanDerWaalsContact C-N 3.33Å; L63-F65 PolarHBondContact O-N 3.44Å; F65-Y67 PolarHBondContact O-N 3.26Å; F65-A68 PolarHBondContact O-N 3.45Å; F65-C69 WeakPolarHBondContact CZ-SG 3.32Å; F65-C69 PolarHBondContact O-N 3.5Å; F65-L95 HydrophobicContact CE1-CD2 3.73Å; F65-L95 HydrophobicContact CZ-CD2 4.39Å |
| 66 | L | 90.7 | Very high | 83.9 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.6 | -38.7 | -179 | -70.3 | 166.9 | 0 | 0 | 0 | 112.4 | C62 L63 N64 C69 N70 L95 L99 V102 L154 | C62-L66 VanDerWaalsContact O-CG 3.29Å; C62-L66 WeakPolarHBondContact O-CG 3.39Å; C62-L66 PolarHBondContact O-N 3.17Å; L63-L66 PolarHBondContact O-N 3.1Å; N64-L66 VanDerWaalsContact C-N 3.33Å; N64-L66 PolarHBondContact O-N 2.89Å; L66-C69 PolarHBondContact O-N 3.32Å; L66-N70 PolarHBondContact O-N 3.29Å; L66-L95 HydrophobicContact CD2-CD2 4.02Å; L66-L99 HydrophobicContact CD1-CD1 3.38Å; L66-L99 HydrophobicContact CD2-CD1 4.43Å; L66-V102 HydrophobicContact CD1-CG2 4.25Å; L66-L154 HydrophobicContact CD1-CD1 4.41Å; L66-L154 HydrophobicContact CD2-CD1 4.27Å |
| 67 | Y | 89.6 | Confident | 82.2 | Confident | 72 Ų | 72 | 31.4 Ų | 31.4 | 28% | 0.282 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.1 | -48.1 | 172.9 | -81.6 | -62.5 | 0 | 0 | 0 | 111.6 | L63 N64 F65 C69 N70 D71 C150 C153 | L63-Y67 WeakPolarHBondContact O-CD2 3.48Å; L63-Y67 PolarHBondContact O-N 3.03Å; N64-Y67 PolarHBondContact O-N 3.27Å; F65-Y67 PolarHBondContact O-N 3.26Å; Y67-C69 VanDerWaalsContact C-N 3.28Å; Y67-C69 PolarHBondContact O-N 3.28Å; Y67-N70 PolarHBondContact O-N 3.38Å; Y67-N70 VanDerWaalsContact O-N 3.08Å; Y67-D71 PolarHBondContact O-N 3.26Å; Y67-C150 HydrophobicContact CE1-CB 4.34Å; Y67-C150 HydrophobicContact CE2-CB 3.77Å; Y67-C150 VanDerWaalsContact OH-CA 3.29Å; Y67-C150 WeakPolarHBondContact OH-CA 3.32Å; Y67-C150 PolarHBondContact OH-N 3.41Å; Y67-C150 VanDerWaalsContact OH-N 3.08Å; Y67-C153 HydrophobicContact CE1-CB 4.23Å |
| 68 | A | 87.2 | Confident | 80.4 | Confident | 29 Ų | 29 | 36.8 Ų | 36.8 | 24% | 0.24 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59 | -39.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L7 N64 F65 L72 | L7-A68 HydrophobicContact CD1-CB 4.4Å; L7-A68 HydrophobicContact CD2-CB 3.85Å; N64-A68 WeakPolarHBondContact O-CB 3.43Å; N64-A68 PolarHBondContact O-N 3.03Å; F65-A68 PolarHBondContact O-N 3.45Å; A68-L72 WeakPolarHBondContact O-CG 3.26Å; A68-L72 PolarHBondContact O-N 3.49Å; A68-L72 VanDerWaalsContact O-N 3.11Å |
| 69 | C | 85.1 | Confident | 78.3 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 173.7 | -81.6 | 0 | 0 | 0 | 0 | 112.8 | F65 L66 Y67 H73 | F65-C69 WeakPolarHBondContact CZ-SG 3.32Å; F65-C69 PolarHBondContact O-N 3.5Å; L66-C69 PolarHBondContact O-N 3.32Å; Y67-C69 VanDerWaalsContact C-N 3.28Å; Y67-C69 PolarHBondContact O-N 3.28Å; C69-H73 PolarHBondContact O-N 2.96Å |
| 70 | N | 83.8 | Confident | 76.1 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.011 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 179.1 | -167.5 | 29.7 | 0 | 0 | 0 | 112 | L66 Y67 H73 K74 C153 L154 S157 | L66-N70 PolarHBondContact O-N 3.29Å; Y67-N70 PolarHBondContact O-N 3.38Å; Y67-N70 VanDerWaalsContact O-N 3.08Å; N70-H73 WeakPolarHBondContact O-CB 3.47Å; N70-H73 PolarHBondContact O-N 3.22Å; N70-K74 PolarHBondContact O-N 2.78Å; N70-K74 VanDerWaalsContact O-N 3.09Å; N70-C153 PolarHBondContact ND2-O 3.09Å; N70-C153 VanDerWaalsContact ND2-O 3.09Å; N70-L154 HydrophobicContact CB-CD2 4.49Å; N70-S157 WeakPolarHBondContact OD1-CB 3.4Å |
| 71 | D | 83 | Confident | 74 | Confident | 79 Ų | 79 | 51 Ų | 51 | 42% | 0.422 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71.3 | -36.3 | -177.4 | -71.5 | -22.3 | 0 | 0 | 0 | 112.6 | Y67 H73 K74 S75 | Y67-D71 PolarHBondContact O-N 3.26Å; D71-H73 PolarHBondContact O-N 3.45Å; D71-K74 PolarHBondContact O-N 3.3Å; D71-K74 IonicContact OD1-NZ 3.72Å; D71-K74 PolarHBondContact OD1-NZ 2.77Å; D71-K74 VanDerWaalsContact OD1-NZ 3.1Å; D71-S75 PolarHBondContact O-N 2.9Å; D71-S75 VanDerWaalsContact O-N 3.1Å |
| 72 | L | 74.8 | Confident | 72.1 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 18% | 0.183 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.3 | -31.4 | 170.2 | -81.3 | -177.9 | 0 | 0 | 0 | 113.1 | K3 L7 A68 S75 N76 | K3-L72 HydrophobicContact CB-CD1 4.22Å; K3-L72 HydrophobicContact CB-CD2 4.3Å; K3-L72 HydrophobicContact CD-CD2 3.93Å; L7-L72 HydrophobicContact CD1-CD1 3.12Å; L7-L72 HydrophobicContact CD1-CG 4.23Å; A68-L72 WeakPolarHBondContact O-CG 3.26Å; A68-L72 PolarHBondContact O-N 3.49Å; A68-L72 VanDerWaalsContact O-N 3.11Å; L72-S75 PolarHBondContact O-OG 3.34Å; L72-N76 VanDerWaalsContact O-CG 3.29Å; L72-N76 PolarHBondContact O-N 3.29Å; L72-N76 PolarHBondContact O-ND2 3.12Å; L72-N76 VanDerWaalsContact O-ND2 3.16Å |
| 73 | H | 68.2 | Low | 70.3 | Confident | 26 Ų | 26 | 62.7 Ų | 62.7 | 12% | 0.12 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.7 | -44.1 | 175.4 | -171.8 | -82.7 | 0 | 0 | 0 | 111.2 | C69 N70 D71 S75 N76 A77 I86 | C69-H73 PolarHBondContact O-N 2.96Å; N70-H73 WeakPolarHBondContact O-CB 3.47Å; N70-H73 PolarHBondContact O-N 3.22Å; D71-H73 PolarHBondContact O-N 3.45Å; H73-S75 PolarHBondContact O-N 3.37Å; H73-N76 PolarHBondContact O-N 2.75Å; H73-A77 PolarHBondContact O-N 2.84Å; H73-A77 VanDerWaalsContact O-N 3.16Å; H73-I86 WeakPolarHBondContact CD2-CD1 3.5Å; H73-I86 VanDerWaalsContact NE2-CD1 3.33Å; H73-I86 WeakPolarHBondContact NE2-CD1 3.5Å |
| 74 | K | 68.4 | Low | 68.9 | Low | 119 Ų | 119 | 67.7 Ų | 67.7 | 52% | 0.517 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -55.3 | -37.7 | 176 | -70.8 | 176.7 | -170.3 | 157.3 | 0 | 111.6 | N70 D71 | N70-K74 PolarHBondContact O-N 2.78Å; N70-K74 VanDerWaalsContact O-N 3.09Å; D71-K74 PolarHBondContact O-N 3.3Å; D71-K74 IonicContact OD1-NZ 3.72Å; D71-K74 PolarHBondContact OD1-NZ 2.77Å; D71-K74 VanDerWaalsContact OD1-NZ 3.1Å |
| 75 | S | 63.2 | Low | 67.7 | Low | 71 Ų | 71 | 70.5 Ų | 70.5 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -72.5 | -25.2 | 177.9 | 61.8 | 0 | 0 | 0 | 0 | 114.9 | D71 L72 H73 | D71-S75 PolarHBondContact O-N 2.9Å; D71-S75 VanDerWaalsContact O-N 3.1Å; L72-S75 PolarHBondContact O-OG 3.34Å; H73-S75 PolarHBondContact O-N 3.37Å |
| 76 | N | 57.3 | Low | 66.8 | Low | 102 Ų | 102 | 73.5 Ų | 73.5 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -94.9 | -11.1 | -177.3 | -66.9 | -20.7 | 0 | 0 | 0 | 113.6 | L72 H73 T78 | L72-N76 VanDerWaalsContact O-CG 3.29Å; L72-N76 PolarHBondContact O-N 3.29Å; L72-N76 PolarHBondContact O-ND2 3.12Å; L72-N76 VanDerWaalsContact O-ND2 3.16Å; H73-N76 PolarHBondContact O-N 2.75Å; N76-T78 PolarHBondContact O-N 2.87Å; N76-T78 VanDerWaalsContact O-N 3.09Å |
| 77 | A | 51.8 | Low | 66.3 | Low | 37 Ų | 37 | 74 Ų | 74 | 31% | 0.306 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 10.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | H73 N79 K158 | H73-A77 PolarHBondContact O-N 2.84Å; H73-A77 VanDerWaalsContact O-N 3.16Å; A77-N79 VanDerWaalsContact C-N 3.25Å; A77-N79 PolarHBondContact O-N 3.12Å; A77-K158 HydrophobicContact CB-CD 4.16Å |
| 78 | T | 51.4 | Low | 65.9 | Low | 123 Ų | 123 | 73.4 Ų | 73.4 | 76% | 0.755 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -8.6 | 174.6 | 54.6 | 0 | 0 | 0 | 0 | 113.3 | N76 | N76-T78 PolarHBondContact O-N 2.87Å; N76-T78 VanDerWaalsContact O-N 3.09Å |
| 79 | N | 47.4 | Very low | 65.6 | Low | 124 Ų | 124 | 77.1 Ų | 77.1 | 66% | 0.663 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -106.9 | 122.3 | 178.2 | -62.9 | -10.9 | 0 | 0 | 0 | 109.9 | A77 S81 | A77-N79 VanDerWaalsContact C-N 3.25Å; A77-N79 PolarHBondContact O-N 3.12Å; N79-S81 VanDerWaalsContact C-N 3.33Å; N79-S81 PolarHBondContact O-N 2.82Å |
| 80 | S | 45.1 | Very low | 65.5 | Low | 133 Ų | 133 | 83.1 Ų | 83.1 | 93% | 0.93 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -70 | 68.5 | -170.2 | 55.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 81 | S | 48.4 | Very low | 65.6 | Low | 68 Ų | 68 | 84.7 Ų | 84.7 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | trans | -143.3 | 84.3 | 167.8 | 61.1 | 0 | 0 | 0 | 0 | 110.2 | N79 D83 | N79-S81 VanDerWaalsContact C-N 3.33Å; N79-S81 PolarHBondContact O-N 2.82Å; S81-D83 PolarHBondContact O-N 3.18Å | ||
| 82 | S | 51.7 | Low | 65.7 | Low | 102 Ų | 102 | 83 Ų | 83 | 71% | 0.713 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -9.5 | -176.6 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 83 | D | 54.5 | Low | 66.2 | Low | 142 Ų | 142 | 88.3 Ų | 88.3 | 76% | 0.759 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | 3.8 | -163.4 | -63.9 | -2.2 | 0 | 0 | 0 | 114 | S81 P85 | S81-D83 PolarHBondContact O-N 3.18Å; D83-P85 WeakPolarHBondContact O-CD 3.39Å |
| 84 | I | 61.9 | Low | 67.2 | Low | 115 Ų | 115 | 88 Ų | 88 | 59% | 0.59 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -84.7 | 119.5 | 178.2 | -54.7 | 176.3 | 0 | 0 | 0 | 108.8 | I86 | I84-I86 WeakPolarHBondContact O-CG1 2.98Å; I84-I86 PolarHBondContact O-N 3.5Å |
| 85 | P | 65.9 | Low | 68.2 | Low | 94 Ų | 94 | 82.4 Ų | 82.4 | 61% | 0.61 | 47% | 0.474 | S | S | * | . | trans | -62.1 | 120.3 | 175.3 | 24.5 | -31.7 | 0 | 0 | 0 | 109.9 | D83 | D83-P85 WeakPolarHBondContact O-CD 3.39Š| ||
| 86 | I | 72.9 | Confident | 69.4 | Low | 63 Ų | 63 | 80.8 Ų | 80.8 | 32% | 0.323 | 46% | 0.463 | S | S | . | . | trans | -87.5 | -35.5 | -175.7 | -59.4 | 171.7 | 0 | 0 | 0 | 110.6 | L4 H73 I84 | L4-I86 HydrophobicContact CD1-CG2 3.86Å; H73-I86 WeakPolarHBondContact CD2-CD1 3.5Å; H73-I86 VanDerWaalsContact NE2-CD1 3.33Å; H73-I86 WeakPolarHBondContact NE2-CD1 3.5Å; I84-I86 WeakPolarHBondContact O-CG1 2.98Å; I84-I86 PolarHBondContact O-N 3.5Å | ||
| 87 | F | 79.9 | Confident | 70.9 | Confident | 12 Ų | 12 | 77.8 Ų | 77.8 | 5% | 0.053 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -98.9 | 139.2 | 179.3 | -52.6 | -70.3 | 0 | 0 | 0 | 110.7 | L4 F8 Q91 E92 L95 Q161 L162 | L4-F87 HydrophobicContact CD1-CE1 4.47Å; L4-F87 HydrophobicContact CD2-CD1 4.09Å; L4-F87 HydrophobicContact CD2-CE1 3.97Å; F8-F87 AromaticContact CE2-CD1 3.71Å; F8-F87 HydrophobicContact CE2-CD1 3.71Å; F8-F87 AromaticContact CE2-CE1 3.83Å; F8-F87 HydrophobicContact CE2-CE1 3.83Å; F8-F87 AromaticContact CZ-CD1 3.8Å; F8-F87 HydrophobicContact CZ-CD1 3.8Å; F8-F87 HydrophobicContact CZ-CE1 4.13Å; F87-Q91 HydrophobicContact CB-CB 4.02Å; F87-E92 HydrophobicContact CB-CG 4.05Å; F87-L95 HydrophobicContact CD1-CD1 4.14Å; F87-L95 HydrophobicContact CD2-CD1 4.2Å; F87-L95 HydrophobicContact CE1-CD1 4.35Å; F87-L95 HydrophobicContact CE2-CD1 4.44Å; F87-L95 HydrophobicContact CG-CD1 4.06Å; F87-L95 HydrophobicContact CZ-CD1 4.5Å; F87-Q161 HydrophobicContact CD2-CB 3.79Å; F87-Q161 HydrophobicContact CD2-CG 4.44Å; F87-Q161 VanDerWaalsContact CD2-OE1 3.25Å; F87-Q161 HydrophobicContact CE2-CB 4.37Å; F87-Q161 PolarHBondContact O-NE2 2.97Å; F87-L162 HydrophobicContact CE2-CD1 4.42Å; F87-L162 HydrophobicContact CE2-CD2 3.87Å; F87-L162 HydrophobicContact CE2-CG 3.86Å; F87-L162 HydrophobicContact CZ-CD1 4.49Å; F87-L162 HydrophobicContact CZ-CD2 4.11Å; F87-L162 HydrophobicContact CZ-CG 4.31Å |
| 88 | S | 82.3 | Confident | 72.8 | Confident | 59 Ų | 59 | 76 Ų | 76 | 41% | 0.413 | 44% | 0.436 | S | S | . | . | trans | -71.3 | 161.5 | 169.2 | 74.5 | 0 | 0 | 0 | 0 | 111.2 | F90 Q91 E92 | S88-F90 PolarHBondContact O-N 3.37Å; S88-F90 VanDerWaalsContact O-N 3.14Å; S88-Q91 WeakPolarHBondContact O-CA 3.14Å; S88-Q91 WeakPolarHBondContact O-CB 3.28Å; S88-Q91 PolarHBondContact O-N 3.23Å; S88-Q91 WeakPolarHBondContact OG-CG 3.23Å; S88-Q91 PolarHBondContact OG-N 2.88Å; S88-E92 PolarHBondContact O-N 3.39Å | ||
| 89 | V | 80.3 | Confident | 74.7 | Confident | 107 Ų | 107 | 70.2 Ų | 70.2 | 65% | 0.648 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -55 | -34 | 175 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | K93 | V89-K93 WeakPolarHBondContact O-CG 3.33Å; V89-K93 PolarHBondContact O-N 3.03Å; V89-K93 VanDerWaalsContact O-N 3.11Å |
| 90 | F | 82.5 | Confident | 76.7 | Confident | 133 Ų | 133 | 67 Ų | 67 | 58% | 0.583 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.8 | -44.4 | 175.1 | -178.5 | -100 | 0 | 0 | 0 | 112 | S88 K93 Q94 | S88-F90 PolarHBondContact O-N 3.37Å; S88-F90 VanDerWaalsContact O-N 3.14Å; F90-K93 WeakPolarHBondContact O-CB 3.2Å; F90-K93 PolarHBondContact O-N 3.5Å; F90-Q94 HydrophobicContact CD1-CG 4.33Å; F90-Q94 HydrophobicContact CE1-CG 3.97Å; F90-Q94 VanDerWaalsContact CE1-NE2 3.34Å; F90-Q94 HydrophobicContact CZ-CG 4.22Å; F90-Q94 WeakPolarHBondContact O-CG 3.33Å; F90-Q94 PolarHBondContact O-N 3.13Å |
| 91 | Q | 86.8 | Confident | 78.8 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 16% | 0.159 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66 | -38.1 | 176.9 | -73.4 | 175.2 | -35.6 | 0 | 0 | 112.3 | F8 F87 S88 K93 Q94 L95 | F8-Q91 HydrophobicContact CD1-CB 4.14Å; F8-Q91 HydrophobicContact CD1-CG 3.74Å; F8-Q91 HydrophobicContact CD2-CG 4.19Å; F8-Q91 HydrophobicContact CE1-CB 3.52Å; F8-Q91 HydrophobicContact CE1-CG 3.66Å; F8-Q91 HydrophobicContact CE2-CB 4.24Å; F8-Q91 HydrophobicContact CE2-CG 4.12Å; F8-Q91 HydrophobicContact CG-CG 3.99Å; F8-Q91 HydrophobicContact CZ-CB 3.57Å; F8-Q91 HydrophobicContact CZ-CG 3.85Å; F87-Q91 HydrophobicContact CB-CB 4.02Å; S88-Q91 WeakPolarHBondContact O-CA 3.14Å; S88-Q91 WeakPolarHBondContact O-CB 3.28Å; S88-Q91 PolarHBondContact O-N 3.23Å; S88-Q91 WeakPolarHBondContact OG-CG 3.23Å; S88-Q91 PolarHBondContact OG-N 2.88Å; Q91-K93 VanDerWaalsContact C-N 3.32Å; Q91-K93 PolarHBondContact O-N 3.27Å; Q91-Q94 PolarHBondContact O-N 3.05Å; Q91-L95 WeakPolarHBondContact O-CB 3.24Å; Q91-L95 WeakPolarHBondContact O-CG 3.45Å; Q91-L95 PolarHBondContact O-N 2.93Å |
| 92 | E | 84.3 | Confident | 80.9 | Confident | 45 Ų | 45 | 58.2 Ų | 58.2 | 21% | 0.21 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 172.5 | -72.3 | -172.5 | 168.3 | 0 | 0 | 111.7 | F87 S88 L95 S96 Q161 | F87-E92 HydrophobicContact CB-CG 4.05Å; S88-E92 PolarHBondContact O-N 3.39Å; E92-L95 PolarHBondContact O-N 3.37Å; E92-S96 PolarHBondContact O-N 3.46Å; E92-Q161 VanDerWaalsContact OE1-CG 3.29Å; E92-Q161 WeakPolarHBondContact OE1-CG 3.38Å; E92-Q161 PolarHBondContact OE1-NE2 3.38Å |
| 93 | K | 85.8 | Confident | 82.7 | Confident | 146 Ų | 146 | 53.3 Ų | 53.3 | 64% | 0.635 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.5 | -45 | 173.2 | -77.2 | -175.2 | 178 | -173 | 0 | 111.7 | V89 F90 Q91 L95 S96 S97 | V89-K93 WeakPolarHBondContact O-CG 3.33Å; V89-K93 PolarHBondContact O-N 3.03Å; V89-K93 VanDerWaalsContact O-N 3.11Å; F90-K93 WeakPolarHBondContact O-CB 3.2Å; F90-K93 PolarHBondContact O-N 3.5Å; Q91-K93 VanDerWaalsContact C-N 3.32Å; Q91-K93 PolarHBondContact O-N 3.27Å; K93-L95 VanDerWaalsContact C-N 3.34Å; K93-L95 PolarHBondContact O-N 3.41Å; K93-S96 WeakPolarHBondContact O-CB 3.31Å; K93-S96 PolarHBondContact O-N 2.86Å; K93-S97 PolarHBondContact O-N 3Å; K93-S97 PolarHBondContact O-OG 3.19Å |
| 94 | Q | 88.6 | Confident | 84.3 | Confident | 18 Ų | 18 | 46.8 Ų | 46.8 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 177.1 | -70.2 | -174.5 | -48.5 | 0 | 0 | 112.2 | F8 L11 T12 L15 F90 Q91 S97 C98 | F8-Q94 VanDerWaalsContact CD1-OE1 3.24Å; F8-Q94 HydrophobicContact CE1-CB 4.3Å; L11-Q94 HydrophobicContact CD2-CB 3.7Å; T12-Q94 PolarHBondContact OG1-NE2 3.45Å; L15-Q94 HydrophobicContact CD1-CB 4.12Å; L15-Q94 HydrophobicContact CD1-CG 4.42Å; F90-Q94 HydrophobicContact CD1-CG 4.33Å; F90-Q94 HydrophobicContact CE1-CG 3.97Å; F90-Q94 VanDerWaalsContact CE1-NE2 3.34Å; F90-Q94 HydrophobicContact CZ-CG 4.22Å; F90-Q94 WeakPolarHBondContact O-CG 3.33Å; F90-Q94 PolarHBondContact O-N 3.13Å; Q91-Q94 PolarHBondContact O-N 3.05Å; Q94-S97 PolarHBondContact O-N 3.39Å; Q94-C98 WeakPolarHBondContact O-CB 3.49Å; Q94-C98 PolarHBondContact O-N 2.96Å |
| 95 | L | 90.2 | Very high | 85.5 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 173.8 | -79.6 | 164.8 | 0 | 0 | 0 | 111.8 | F8 F65 L66 F87 Q91 E92 K93 C98 L99 L162 L165 | F8-L95 HydrophobicContact CE1-CG 4.22Å; F8-L95 HydrophobicContact CZ-CD1 3.99Å; F8-L95 HydrophobicContact CZ-CD2 4.45Å; F8-L95 HydrophobicContact CZ-CG 3.96Å; F65-L95 HydrophobicContact CE1-CD2 3.73Å; F65-L95 HydrophobicContact CZ-CD2 4.39Å; L66-L95 HydrophobicContact CD2-CD2 4.02Å; F87-L95 HydrophobicContact CD1-CD1 4.14Å; F87-L95 HydrophobicContact CD2-CD1 4.2Å; F87-L95 HydrophobicContact CE1-CD1 4.35Å; F87-L95 HydrophobicContact CE2-CD1 4.44Å; F87-L95 HydrophobicContact CG-CD1 4.06Å; F87-L95 HydrophobicContact CZ-CD1 4.5Å; Q91-L95 WeakPolarHBondContact O-CB 3.24Å; Q91-L95 WeakPolarHBondContact O-CG 3.45Å; Q91-L95 PolarHBondContact O-N 2.93Å; E92-L95 PolarHBondContact O-N 3.37Å; K93-L95 VanDerWaalsContact C-N 3.34Å; K93-L95 PolarHBondContact O-N 3.41Å; L95-C98 WeakPolarHBondContact O-CB 3.47Å; L95-C98 PolarHBondContact O-N 2.83Å; L95-L99 PolarHBondContact O-N 3.43Å; L95-L162 HydrophobicContact CD1-CD2 4.16Å; L95-L162 HydrophobicContact CD2-CD2 4.46Å; L95-L165 HydrophobicContact CB-CD1 3.94Å; L95-L165 HydrophobicContact CB-CD2 4.14Å; L95-L165 HydrophobicContact CD1-CD1 4.47Å; L95-L165 HydrophobicContact CD2-CD1 4.41Å |
| 96 | S | 88.8 | Confident | 86.6 | Confident | 37 Ų | 37 | 37.1 Ų | 37.1 | 26% | 0.259 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.4 | -46.2 | 174.7 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | E92 K93 C98 L99 Q100 | E92-S96 PolarHBondContact O-N 3.46Å; K93-S96 WeakPolarHBondContact O-CB 3.31Å; K93-S96 PolarHBondContact O-N 2.86Å; S96-C98 PolarHBondContact O-N 3.29Å; S96-L99 PolarHBondContact O-N 3.43Å; S96-Q100 WeakPolarHBondContact O-CG 3.23Å; S96-Q100 PolarHBondContact O-N 3.22Å |
| 97 | S | 88.5 | Confident | 87.4 | Confident | 40 Ų | 40 | 34.1 Ų | 34.1 | 28% | 0.28 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63 | -39.6 | 177 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | K93 Q94 L99 Q100 F101 | K93-S97 PolarHBondContact O-N 3Å; K93-S97 PolarHBondContact O-OG 3.19Å; Q94-S97 PolarHBondContact O-N 3.39Å; S97-L99 VanDerWaalsContact C-N 3.31Å; S97-L99 PolarHBondContact O-N 3Å; S97-Q100 WeakPolarHBondContact O-CB 3.14Å; S97-Q100 PolarHBondContact O-N 3.17Å; S97-F101 WeakPolarHBondContact O-CD2 3.49Å; S97-F101 PolarHBondContact O-N 3.35Å; S97-F101 VanDerWaalsContact O-N 3.08Å |
| 98 | C | 91.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.4 | -47.1 | 172.9 | -170.5 | 0 | 0 | 0 | 0 | 111 | L11 C62 Q94 L95 S96 F101 V102 | L11-C98 HydrophobicContact CD1-CB 4Å; C62-C98 VanDerWaalsContact CB-SG 3.54Å; Q94-C98 WeakPolarHBondContact O-CB 3.49Å; Q94-C98 PolarHBondContact O-N 2.96Å; L95-C98 WeakPolarHBondContact O-CB 3.47Å; L95-C98 PolarHBondContact O-N 2.83Å; S96-C98 PolarHBondContact O-N 3.29Å; C98-F101 PolarHBondContact O-N 3.44Å; C98-V102 WeakPolarHBondContact O-CG2 3.04Å; C98-V102 PolarHBondContact O-N 2.96Å; C98-V102 VanDerWaalsContact O-N 3.08Å |
| 99 | L | 91 | Very high | 88.2 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.2 | -33.2 | 177.6 | -143.5 | 71.4 | 0 | 0 | 0 | 112.9 | L66 L95 S96 S97 F101 V102 V103 L151 L154 L165 F171 | L66-L99 HydrophobicContact CD1-CD1 3.38Å; L66-L99 HydrophobicContact CD2-CD1 4.43Å; L95-L99 PolarHBondContact O-N 3.43Å; S96-L99 PolarHBondContact O-N 3.43Å; S97-L99 VanDerWaalsContact C-N 3.31Å; S97-L99 PolarHBondContact O-N 3Å; L99-F101 VanDerWaalsContact C-N 3.31Å; L99-F101 PolarHBondContact O-N 3.25Å; L99-V102 PolarHBondContact O-N 3.17Å; L99-V103 WeakPolarHBondContact O-CB 3.32Å; L99-V103 VanDerWaalsContact O-CG2 3.23Å; L99-V103 WeakPolarHBondContact O-CG2 3.34Å; L99-V103 PolarHBondContact O-N 2.85Å; L99-L151 HydrophobicContact CD1-CD2 3.8Å; L99-L151 HydrophobicContact CD2-CD2 3.74Å; L99-L151 HydrophobicContact CG-CD2 4.06Å; L99-L154 HydrophobicContact CD1-CD1 4.04Å; L99-L165 HydrophobicContact CD2-CB 4.37Å; L99-F171 HydrophobicContact CB-CD2 4.07Å; L99-F171 HydrophobicContact CB-CE2 3.83Å; L99-F171 HydrophobicContact CB-CZ 4.18Å; L99-F171 HydrophobicContact CD2-CB 3.83Å; L99-F171 HydrophobicContact CD2-CD1 4.47Å; L99-F171 HydrophobicContact CD2-CD2 3.18Å; L99-F171 HydrophobicContact CD2-CE2 3.83Å; L99-F171 HydrophobicContact CD2-CG 3.58Å; L99-F171 HydrophobicContact CG-CD2 4.03Å; L99-F171 HydrophobicContact CG-CE2 4.31Å; L99-F171 HydrophobicContact CG-CG 4.31Å |
| 100 | Q | 89.6 | Confident | 88.6 | Confident | 55 Ų | 55 | 27.6 Ų | 27.6 | 26% | 0.257 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -57.6 | -44.4 | 172.4 | -70.9 | 169.6 | -18.5 | 0 | 0 | 111.2 | S96 S97 V103 A104 L123 F171 | S96-Q100 WeakPolarHBondContact O-CG 3.23Å; S96-Q100 PolarHBondContact O-N 3.22Å; S97-Q100 WeakPolarHBondContact O-CB 3.14Å; S97-Q100 PolarHBondContact O-N 3.17Å; Q100-V103 PolarHBondContact O-N 3.17Å; Q100-A104 VanDerWaalsContact O-CB 3.27Å; Q100-A104 WeakPolarHBondContact O-CB 3.43Å; Q100-A104 PolarHBondContact O-N 3.2Å; Q100-L123 HydrophobicContact CB-CD1 4.15Å; Q100-F171 HydrophobicContact CG-CE1 4.02Å; Q100-F171 HydrophobicContact CG-CZ 3.63Å |
| 101 | F | 89.4 | Confident | 88.9 | Confident | 17 Ų | 17 | 21.5 Ų | 21.5 | 8% | 0.075 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -69.5 | -37.6 | 176.8 | -74.7 | -67 | 0 | 0 | 0 | 113 | L15 P16 F58 S97 C98 L99 V103 A104 F105 L123 | L15-F101 HydrophobicContact CD2-CD2 3.67Å; L15-F101 HydrophobicContact CD2-CE2 3.92Å; P16-F101 HydrophobicContact CG-CE1 4.19Å; P16-F101 HydrophobicContact CG-CE2 3.98Å; P16-F101 HydrophobicContact CG-CZ 3.48Å; P16-F101 VanDerWaalsContact CG-CZ 3.48Å; F58-F101 HydrophobicContact CD1-CB 4.3Å; F58-F101 HydrophobicContact CE1-CB 3.73Å; F58-F101 HydrophobicContact CE1-CD1 4.27Å; F58-F101 HydrophobicContact CE1-CD2 4.25Å; F58-F101 AromaticContact CE1-CG 3.83Å; F58-F101 HydrophobicContact CE1-CG 3.83Å; S97-F101 WeakPolarHBondContact O-CD2 3.49Å; S97-F101 PolarHBondContact O-N 3.35Å; S97-F101 VanDerWaalsContact O-N 3.08Å; C98-F101 PolarHBondContact O-N 3.44Å; L99-F101 VanDerWaalsContact C-N 3.31Å; L99-F101 PolarHBondContact O-N 3.25Å; F101-V103 VanDerWaalsContact C-N 3.29Å; F101-V103 PolarHBondContact O-N 3.41Å; F101-A104 PolarHBondContact O-N 3.45Å; F101-F105 HydrophobicContact CB-CD2 4.41Å; F101-F105 HydrophobicContact CD1-CD2 4.15Å; F101-F105 AromaticContact CD1-CE2 3.5Å; F101-F105 HydrophobicContact CD1-CE2 3.5Å; F101-F105 AromaticContact CD1-CZ 3.96Å; F101-F105 HydrophobicContact CD1-CZ 3.96Å; F101-F105 HydrophobicContact CE1-CE2 4.16Å; F101-F105 HydrophobicContact CE1-CZ 4.29Å; F101-F105 HydrophobicContact CG-CE2 4.41Å; F101-F105 WeakPolarHBondContact O-CB 3.06Å; F101-F105 PolarHBondContact O-N 3.26Å; F101-L123 HydrophobicContact CD1-CD1 4.14Å; F101-L123 HydrophobicContact CE1-CD1 3.99Å; F101-L123 HydrophobicContact CE1-CD2 4.41Å; F101-L123 HydrophobicContact CZ-CD1 4.37Å |
| 102 | V | 91.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | I | π-helix | trans | -59.1 | -43.4 | 172.3 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | C62 L63 L66 C98 L99 G106 I107 I147 | C62-V102 HydrophobicContact CB-CG2 3.4Å; L63-V102 HydrophobicContact CD2-CG1 3.93Å; L63-V102 HydrophobicContact CD2-CG2 4.42Å; L66-V102 HydrophobicContact CD1-CG2 4.25Å; C98-V102 WeakPolarHBondContact O-CG2 3.04Å; C98-V102 PolarHBondContact O-N 2.96Å; C98-V102 VanDerWaalsContact O-N 3.08Å; L99-V102 PolarHBondContact O-N 3.17Å; V102-G106 WeakPolarHBondContact O-CA 3.49Å; V102-G106 PolarHBondContact O-N 2.97Å; V102-I107 PolarHBondContact O-N 3.38Å; V102-I147 HydrophobicContact CG1-CG2 3.81Å |
| 103 | V | 89.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -66.2 | -47.4 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | L99 Q100 F101 I107 Y108 F171 D174 | L99-V103 WeakPolarHBondContact O-CB 3.32Å; L99-V103 VanDerWaalsContact O-CG2 3.23Å; L99-V103 WeakPolarHBondContact O-CG2 3.34Å; L99-V103 PolarHBondContact O-N 2.85Å; Q100-V103 PolarHBondContact O-N 3.17Å; F101-V103 VanDerWaalsContact C-N 3.29Å; F101-V103 PolarHBondContact O-N 3.41Å; V103-I107 HydrophobicContact CB-CD1 4.45Å; V103-I107 HydrophobicContact CG2-CD1 3.97Å; V103-I107 WeakPolarHBondContact O-CB 3.3Å; V103-I107 PolarHBondContact O-N 3.01Å; V103-I107 VanDerWaalsContact O-N 3.12Å; V103-Y108 HydrophobicContact CG1-CD2 3.59Å; V103-Y108 HydrophobicContact CG1-CE2 3.4Å; V103-Y108 VanDerWaalsContact CG1-CE2 3.4Å; V103-Y108 WeakPolarHBondContact O-CD2 3.14Å; V103-Y108 PolarHBondContact O-N 2.95Å; V103-F171 HydrophobicContact CG2-CD1 3.77Å; V103-F171 HydrophobicContact CG2-CE1 4.19Å; V103-D174 HydrophobicContact CG1-CB 4.3Å; V103-D174 HydrophobicContact CG2-CB 4.27Å |
| 104 | A | 88.1 | Confident | 88.5 | Confident | 4 Ų | 4 | 16.6 Ų | 16.6 | 3% | 0.033 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -66.5 | -39.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q100 F101 P109 L119 L123 | Q100-A104 VanDerWaalsContact O-CB 3.27Å; Q100-A104 WeakPolarHBondContact O-CB 3.43Å; Q100-A104 PolarHBondContact O-N 3.2Å; F101-A104 PolarHBondContact O-N 3.45Å; A104-P109 VanDerWaalsContact O-CD 3.3Å; A104-P109 WeakPolarHBondContact O-CD 3.42Å; A104-L119 HydrophobicContact CB-CD1 3.88Å; A104-L123 HydrophobicContact CB-CD1 4.33Å |
| 105 | F | 88.1 | Confident | 88.5 | Confident | 7 Ų | 7 | 15.8 Ų | 15.8 | 3% | 0.031 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -102.2 | -26.7 | -176.5 | -61.2 | -32.6 | 0 | 0 | 0 | 114 | L29 H55 F58 Y59 F101 P109 F129 C131 | L29-F105 HydrophobicContact CD1-CE2 3.82Å; L29-F105 HydrophobicContact CD1-CZ 3.82Å; L29-F105 HydrophobicContact CD2-CE2 3.93Å; L29-F105 HydrophobicContact CD2-CZ 4.43Å; H55-F105 HydrophobicContact CB-CB 4.32Å; H55-F105 HydrophobicContact CB-CD1 4.44Å; H55-F105 HydrophobicContact CB-CG 4.26Å; H55-F105 AromaticContact ND1-CE1 3.82Å; H55-F105 AromaticContact ND1-CZ 3.99Å; F58-F105 AromaticContact CD1-CD2 3.91Å; F58-F105 HydrophobicContact CD1-CD2 3.91Å; F58-F105 HydrophobicContact CD1-CE2 4.08Å; F58-F105 HydrophobicContact CE1-CE2 4.44Å; F58-F105 HydrophobicContact CG-CD2 4.5Å; Y59-F105 HydrophobicContact CD1-CB 4.38Å; F101-F105 HydrophobicContact CB-CD2 4.41Å; F101-F105 HydrophobicContact CD1-CD2 4.15Å; F101-F105 AromaticContact CD1-CE2 3.5Å; F101-F105 HydrophobicContact CD1-CE2 3.5Å; F101-F105 AromaticContact CD1-CZ 3.96Å; F101-F105 HydrophobicContact CD1-CZ 3.96Å; F101-F105 HydrophobicContact CE1-CE2 4.16Å; F101-F105 HydrophobicContact CE1-CZ 4.29Å; F101-F105 HydrophobicContact CG-CE2 4.41Å; F101-F105 WeakPolarHBondContact O-CB 3.06Å; F101-F105 PolarHBondContact O-N 3.26Å; F105-P109 WeakPolarHBondContact O-CG 3.19Å; F105-F129 HydrophobicContact CE1-CB 4.01Å; F105-F129 HydrophobicContact CZ-CB 4.07Å; F105-F129 AromaticContact CZ-CD1 3.87Å; F105-F129 HydrophobicContact CZ-CD1 3.87Å; F105-F129 HydrophobicContact CZ-CG 4.27Å; F105-C131 HydrophobicContact CD1-CB 4.31Å |
| 106 | G | 88.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -97 | -42 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V102 L110 I147 | V102-G106 WeakPolarHBondContact O-CA 3.49Å; V102-G106 PolarHBondContact O-N 2.97Å; G106-L110 WeakPolarHBondContact O-CD1 3.5Å; G106-L110 WeakPolarHBondContact O-CG 3.43Å; G106-I147 WeakPolarHBondContact O-CD1 3.46Å |
| 107 | I | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -91.9 | -58.9 | -174.4 | -61 | 177.2 | 0 | 0 | 0 | 111.1 | V102 V103 L110 L111 L144 I147 L151 D174 S178 | V102-I107 PolarHBondContact O-N 3.38Å; V103-I107 HydrophobicContact CB-CD1 4.45Å; V103-I107 HydrophobicContact CG2-CD1 3.97Å; V103-I107 WeakPolarHBondContact O-CB 3.3Å; V103-I107 PolarHBondContact O-N 3.01Å; V103-I107 VanDerWaalsContact O-N 3.12Å; I107-L110 CarbonylContact O-C 3.59Å; I107-L110 WeakPolarHBondContact O-CA 3.34Å; I107-L110 WeakPolarHBondContact O-CB 3.28Å; I107-L110 PolarHBondContact O-N 3.38Å; I107-L111 HydrophobicContact CG2-CD1 3.6Å; I107-L111 HydrophobicContact CG2-CD2 4.3Å; I107-L111 HydrophobicContact CG2-CG 3.81Å; I107-L111 WeakPolarHBondContact O-CG 3.38Å; I107-L111 PolarHBondContact O-N 3.44Å; I107-L144 HydrophobicContact CG2-CD2 4.5Å; I107-I147 HydrophobicContact CD1-CG2 3.81Å; I107-I147 HydrophobicContact CG1-CD1 4.14Å; I107-I147 HydrophobicContact CG1-CG2 3.76Å; I107-L151 HydrophobicContact CD1-CD1 4.08Å; I107-D174 HydrophobicContact CD1-CB 4.4Å; I107-S178 VanDerWaalsContact CG2-OG 3.25Å; I107-S178 WeakPolarHBondContact CG2-OG 3.26Å |
| 108 | Y | 89 | Confident | 87.3 | Confident | 27 Ų | 27 | 15.9 Ų | 15.9 | 11% | 0.106 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -56.3 | -41.7 | -171.4 | -91.3 | -108.9 | 0 | 0 | 0 | 114.9 | V103 L110 L111 S116 L117 P118 L119 R122 | V103-Y108 HydrophobicContact CG1-CD2 3.59Å; V103-Y108 HydrophobicContact CG1-CE2 3.4Å; V103-Y108 VanDerWaalsContact CG1-CE2 3.4Å; V103-Y108 WeakPolarHBondContact O-CD2 3.14Å; V103-Y108 PolarHBondContact O-N 2.95Å; Y108-L110 PolarHBondContact O-N 3.46Å; Y108-L111 PolarHBondContact O-N 3.03Å; Y108-S116 WeakPolarHBondContact CE1-OG 3.42Å; Y108-S116 VanDerWaalsContact CZ-OG 3.28Å; Y108-L117 WeakPolarHBondContact CE1-O 3.34Å; Y108-L117 PolarHBondContact OH-O 3.18Å; Y108-P118 PolarHBondContact OH-O 2.96Å; Y108-L119 HydrophobicContact CD1-CB 3.76Å; Y108-L119 HydrophobicContact CD1-CD1 3.93Å; Y108-L119 HydrophobicContact CD1-CG 4.28Å; Y108-L119 HydrophobicContact CD2-CD1 4.03Å; Y108-L119 VanDerWaalsContact CE1-CA 3.47Å; Y108-L119 HydrophobicContact CE1-CB 3.56Å; Y108-L119 HydrophobicContact CE1-CD1 4.03Å; Y108-L119 HydrophobicContact CE1-CG 4.36Å; Y108-L119 VanDerWaalsContact CE1-N 3.3Å; Y108-L119 HydrophobicContact CE2-CD1 4.14Å; Y108-L119 HydrophobicContact CG-CD1 3.9Å; Y108-R122 HydrophobicContact CE2-CG 4.42Å |
| 109 | P | 88.6 | Confident | 86.7 | Confident | 7 Ų | 7 | 17.6 Ų | 17.6 | 5% | 0.045 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -64.6 | -24.9 | 177.2 | -24.8 | 38.2 | 0 | 0 | 0 | 112.5 | A104 F105 C131 K134 | A104-P109 VanDerWaalsContact O-CD 3.3Å; A104-P109 WeakPolarHBondContact O-CD 3.42Å; F105-P109 WeakPolarHBondContact O-CG 3.19Å; P109-C131 HydrophobicContact CG-CB 3.9Å; P109-K134 CarbonylContact O-C 3.36Å; P109-K134 WeakPolarHBondContact O-CA 3.47Å; P109-K134 PolarHBondContact O-N 3.38Å |
| 110 | L | 89.1 | Confident | 85.8 | Confident | 7 Ų | 7 | 21 Ų | 21 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -96.3 | 4.7 | 179.8 | -56.6 | -177.8 | 0 | 0 | 0 | 112.9 | G106 I107 Y108 K134 R140 K143 L144 | G106-L110 WeakPolarHBondContact O-CD1 3.5Å; G106-L110 WeakPolarHBondContact O-CG 3.43Å; I107-L110 CarbonylContact O-C 3.59Å; I107-L110 WeakPolarHBondContact O-CA 3.34Å; I107-L110 WeakPolarHBondContact O-CB 3.28Å; I107-L110 PolarHBondContact O-N 3.38Å; Y108-L110 PolarHBondContact O-N 3.46Å; L110-K134 HydrophobicContact CD2-CB 4.02Å; L110-R140 HydrophobicContact CB-CG 4.22Å; L110-R140 HydrophobicContact CD2-CG 4.24Å; L110-R140 PolarHBondContact O-NE 2.72Å; L110-R140 PolarHBondContact O-NH2 3.22Å; L110-K143 HydrophobicContact CD1-CB 3.63Å; L110-L144 HydrophobicContact CB-CD1 4.12Å; L110-L144 HydrophobicContact CB-CD2 3.96Å; L110-L144 HydrophobicContact CB-CG 3.88Å; L110-L144 HydrophobicContact CD1-CD2 4.22Å; L110-L144 HydrophobicContact CD1-CG 3.86Å |
| 111 | L | 88.6 | Confident | 85.2 | Confident | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -100.9 | 144.9 | 175.1 | -68.8 | -175 | 0 | 0 | 0 | 111.1 | I107 Y108 V115 A177 Q181 | I107-L111 HydrophobicContact CG2-CD1 3.6Å; I107-L111 HydrophobicContact CG2-CD2 4.3Å; I107-L111 HydrophobicContact CG2-CG 3.81Å; I107-L111 WeakPolarHBondContact O-CG 3.38Å; I107-L111 PolarHBondContact O-N 3.44Å; Y108-L111 PolarHBondContact O-N 3.03Å; L111-V115 HydrophobicContact CB-CB 4.45Å; L111-V115 HydrophobicContact CD2-CG1 4.13Å; L111-A177 HydrophobicContact CD1-CB 4.4Å; L111-Q181 HydrophobicContact CD2-CB 3.57Å; L111-Q181 HydrophobicContact CD2-CG 3.82Å |
| 112 | E | 86.7 | Confident | 84.6 | Confident | 35 Ų | 35 | 23 Ų | 23 | 16% | 0.164 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 152.6 | 166.9 | -81.3 | 164.4 | -132.3 | 0 | 0 | 110.7 | G114 V115 R140 Q181 W253 | E112-G114 PolarHBondContact O-N 3.03Å; E112-G114 VanDerWaalsContact O-N 3.17Å; E112-V115 HydrophobicContact CB-CG2 3.76Å; E112-V115 WeakPolarHBondContact O-CB 3.47Å; E112-V115 WeakPolarHBondContact O-CG2 3.18Å; E112-V115 PolarHBondContact O-N 3.17Å; E112-R140 VanDerWaalsContact N-NH2 3.15Å; E112-R140 IonicContact OE1-NH1 3.97Å; E112-Q181 PolarHBondContact OE1-NE2 3.34Å; E112-W253 PolarHBondContact OE2-NE1 3.49Å |
| 113 | T | 82.6 | Confident | 83.8 | Confident | 74 Ų | 74 | 23.5 Ų | 23.5 | 45% | 0.454 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 122.4 | 173.5 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | R133 E135 P251 | T113-R133 VanDerWaalsContact CG2-CZ 3.49Å; T113-E135 PolarHBondContact N-OE1 2.83Å; T113-P251 WeakPolarHBondContact O-CG 3.49Å |
| 114 | G | 80.7 | Confident | 82.7 | Confident | 13 Ų | 13 | 31.8 Ų | 31.8 | 13% | 0.134 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 10 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | E112 A250 | E112-G114 PolarHBondContact O-N 3.03Å; E112-G114 VanDerWaalsContact O-N 3.17Å; G114-A250 WeakPolarHBondContact O-CA 3.19Å |
| 115 | V | 87.2 | Confident | 81.8 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -81.7 | -28.1 | 177.7 | 175.7 | 0 | 0 | 0 | 0 | 113.5 | L111 E112 A177 Q181 L233 P251 W253 L254 | L111-V115 HydrophobicContact CB-CB 4.45Å; L111-V115 HydrophobicContact CD2-CG1 4.13Å; E112-V115 HydrophobicContact CB-CG2 3.76Å; E112-V115 WeakPolarHBondContact O-CB 3.47Å; E112-V115 WeakPolarHBondContact O-CG2 3.18Å; E112-V115 PolarHBondContact O-N 3.17Å; V115-A177 HydrophobicContact CG1-CB 4.41Å; V115-Q181 HydrophobicContact CG1-CB 4.42Å; V115-L233 WeakPolarHBondContact O-CD2 3.43Å; V115-P251 HydrophobicContact CG2-CG 3.85Å; V115-W253 HydrophobicContact CG1-CH2 4.45Å; V115-W253 HydrophobicContact CG2-CH2 4.32Å; V115-W253 HydrophobicContact CG2-CZ2 3.78Å; V115-L254 HydrophobicContact CB-CD2 4.22Å; V115-L254 HydrophobicContact CG1-CD2 4.14Å; V115-L254 HydrophobicContact CG2-CD2 4.18Å |
| 116 | S | 84.3 | Confident | 80.9 | Confident | 18 Ų | 18 | 37.5 Ų | 37.5 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -120.6 | 179.2 | 173.6 | 70.5 | 0 | 0 | 0 | 0 | 111.7 | Y108 | Y108-S116 WeakPolarHBondContact CE1-OG 3.42Å; Y108-S116 VanDerWaalsContact CZ-OG 3.28Å |
| 117 | L | 79.8 | Confident | 80 | Confident | 40 Ų | 40 | 44.2 Ų | 44.2 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -54.6 | 160.5 | 166.2 | -69.5 | 168.1 | 0 | 0 | 0 | 111.1 | Y108 M121 I232 L247 | Y108-L117 WeakPolarHBondContact CE1-O 3.34Å; Y108-L117 PolarHBondContact OH-O 3.18Å; L117-M121 HydrophobicContact CB-SD 4.37Å; L117-M121 HydrophobicContact CD2-SD 4.03Å; L117-I232 HydrophobicContact CD2-CG2 3.86Å; L117-I232 HydrophobicContact CG-CG2 4.4Å; L117-L247 HydrophobicContact CD2-CD2 3.81Å |
| 118 | P | 78.6 | Confident | 78.9 | Confident | 24 Ų | 24 | 48.5 Ų | 48.5 | 16% | 0.156 | 26% | 0.256 | C | S | . | . | trans | -63.5 | 141.5 | 172.4 | -23.2 | 34 | 0 | 0 | 0 | 111.8 | Y108 S120 M121 L247 | Y108-P118 PolarHBondContact OH-O 2.96Å; P118-S120 WeakPolarHBondContact CB-OG 3.39Å; P118-S120 PolarHBondContact O-N 2.83Å; P118-M121 WeakPolarHBondContact O-CB 3.48Å; P118-M121 PolarHBondContact O-N 2.88Å; P118-L247 VanDerWaalsContact CD-CD2 3.48Å; P118-L247 HydrophobicContact CG-CD2 3.99Å | ||
| 119 | L | 78.4 | Confident | 78 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 18% | 0.183 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -59.2 | -23.6 | 178.7 | -172.5 | 58.3 | 0 | 0 | 0 | 111.9 | A104 Y108 M121 R122 L123 I126 | A104-L119 HydrophobicContact CB-CD1 3.88Å; Y108-L119 HydrophobicContact CD1-CB 3.76Å; Y108-L119 HydrophobicContact CD1-CD1 3.93Å; Y108-L119 HydrophobicContact CD1-CG 4.28Å; Y108-L119 HydrophobicContact CD2-CD1 4.03Å; Y108-L119 VanDerWaalsContact CE1-CA 3.47Å; Y108-L119 HydrophobicContact CE1-CB 3.56Å; Y108-L119 HydrophobicContact CE1-CD1 4.03Å; Y108-L119 HydrophobicContact CE1-CG 4.36Å; Y108-L119 VanDerWaalsContact CE1-N 3.3Å; Y108-L119 HydrophobicContact CE2-CD1 4.14Å; Y108-L119 HydrophobicContact CG-CD1 3.9Å; L119-M121 PolarHBondContact O-N 3.3Å; L119-R122 HydrophobicContact CD1-CB 4.34Å; L119-R122 PolarHBondContact O-N 3.12Å; L119-L123 PolarHBondContact O-N 3.32Å; L119-L123 VanDerWaalsContact O-N 3.07Å; L119-I126 HydrophobicContact CB-CG2 4.49Å; L119-I126 HydrophobicContact CD2-CG2 3.75Å; L119-I126 HydrophobicContact CG-CG2 4.09Å |
| 120 | S | 73.3 | Confident | 77 | Confident | 72 Ų | 72 | 53.5 Ų | 53.5 | 50% | 0.503 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -63.8 | -16.7 | 175 | 64.4 | 0 | 0 | 0 | 0 | 115 | P118 | P118-S120 WeakPolarHBondContact CB-OG 3.39Å; P118-S120 PolarHBondContact O-N 2.83Å |
| 121 | M | 76.1 | Confident | 76.3 | Confident | 74 Ų | 74 | 54.1 Ų | 54.1 | 37% | 0.365 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -90.8 | -0.7 | 173.5 | -63.7 | -174.8 | 163.1 | 0 | 0 | 112.8 | L117 P118 L119 I245 | L117-M121 HydrophobicContact CB-SD 4.37Å; L117-M121 HydrophobicContact CD2-SD 4.03Å; P118-M121 WeakPolarHBondContact O-CB 3.48Å; P118-M121 PolarHBondContact O-N 2.88Å; L119-M121 PolarHBondContact O-N 3.3Å; M121-I245 HydrophobicContact CE-CB 3.82Å; M121-I245 HydrophobicContact CE-CD1 3.34Å; M121-I245 HydrophobicContact CE-CG1 4.16Å; M121-I245 HydrophobicContact CE-CG2 3.71Å |
| 122 | R | 76.3 | Confident | 75.6 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 16% | 0.158 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | -41.6 | -174.6 | -64 | -61.9 | -174.4 | -135.1 | 15.7 | 113.5 | Y108 L119 S170 D174 | Y108-R122 HydrophobicContact CE2-CG 4.42Å; L119-R122 HydrophobicContact CD1-CB 4.34Å; L119-R122 PolarHBondContact O-N 3.12Å; R122-S170 PolarHBondContact NH2-O 3.1Å; R122-D174 IonicContact CZ-OD2 2.85Å; R122-D174 VanDerWaalsContact CZ-OD2 3.26Å; R122-D174 IonicContact NE-OD1 3.44Å; R122-D174 PolarHBondContact NE-OD1 3.34Å; R122-D174 IonicContact NE-OD2 2.79Å; R122-D174 PolarHBondContact NE-OD2 3.43Å; R122-D174 IonicContact NH2-OD1 2.98Å; R122-D174 IonicContact NH2-OD2 2.97Å; R122-D174 PolarHBondContact NH2-OD2 2.68Å |
| 123 | L | 75.1 | Confident | 75.2 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | trans | -122.1 | 127.4 | -176.4 | -150.3 | 83.8 | 0 | 0 | 0 | 110.4 | Q100 F101 A104 L119 I126 F129 | Q100-L123 HydrophobicContact CB-CD1 4.15Å; F101-L123 HydrophobicContact CD1-CD1 4.14Å; F101-L123 HydrophobicContact CE1-CD1 3.99Å; F101-L123 HydrophobicContact CE1-CD2 4.41Å; F101-L123 HydrophobicContact CZ-CD1 4.37Å; A104-L123 HydrophobicContact CB-CD1 4.33Å; L119-L123 PolarHBondContact O-N 3.32Å; L119-L123 VanDerWaalsContact O-N 3.07Å; L123-I126 VanDerWaalsContact O-CG1 3.26Å; L123-I126 WeakPolarHBondContact O-CG1 3.4Å; L123-F129 HydrophobicContact CD2-CB 3.7Å; L123-F129 HydrophobicContact CD2-CD2 3.7Å; L123-F129 HydrophobicContact CD2-CG 3.97Å | ||
| 124 | E | 67.7 | Low | 75.1 | Confident | 173 Ų | 173 | 62.3 Ų | 62.3 | 81% | 0.808 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | 146 | 166.2 | -67.8 | 179.1 | -179.4 | 0 | 0 | 109.2 | ||
| 125 | N | 69.5 | Low | 74.8 | Confident | 90 Ų | 90 | 64.6 Ų | 64.6 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 42.4 | -177.4 | -52.8 | -42.6 | 0 | 0 | 0 | 114.8 | D127 K128 | N125-D127 PolarHBondContact O-N 3.06Å; N125-K128 HydrophobicContact CB-CD 4.15Å; N125-K128 HydrophobicContact CB-CG 4.34Å; N125-K128 WeakPolarHBondContact O-CB 3.46Å; N125-K128 PolarHBondContact O-N 3.28Å |
| 126 | I | 67.4 | Low | 74.2 | Confident | 42 Ų | 42 | 73.1 Ų | 73.1 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -47.5 | -38.5 | 177.6 | -46.4 | 159 | 0 | 0 | 0 | 112.3 | L119 L123 K128 F129 I130 | L119-I126 HydrophobicContact CB-CG2 4.49Å; L119-I126 HydrophobicContact CD2-CG2 3.75Å; L119-I126 HydrophobicContact CG-CG2 4.09Å; L123-I126 VanDerWaalsContact O-CG1 3.26Å; L123-I126 WeakPolarHBondContact O-CG1 3.4Å; I126-K128 PolarHBondContact O-N 3.41Å; I126-F129 CarbonylContact O-C 3.58Å; I126-F129 PolarHBondContact O-N 3.42Å; I126-I130 VanDerWaalsContact O-CG1 3.26Å; I126-I130 WeakPolarHBondContact O-CG1 3.32Å; I126-I130 PolarHBondContact O-N 3.37Å |
| 127 | D | 69.5 | Low | 73.9 | Confident | 141 Ų | 141 | 73.9 Ų | 73.9 | 75% | 0.754 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -56.9 | -26.6 | -177.6 | -56.1 | -24.1 | 0 | 0 | 0 | 112.1 | N125 | N125-D127 PolarHBondContact O-N 3.06Š|
| 128 | K | 67.5 | Low | 73.7 | Confident | 89 Ų | 89 | 78.5 Ų | 78.5 | 39% | 0.387 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -87.5 | -7.9 | 176.7 | -60.5 | -175.3 | 178.7 | 177.8 | 0 | 113.8 | F20 P25 N125 I126 | F20-K128 PolarHBondContact O-NZ 2.95Å; P25-K128 WeakPolarHBondContact CB-O 3.38Å; P25-K128 WeakPolarHBondContact CG-O 3.3Å; N125-K128 HydrophobicContact CB-CD 4.15Å; N125-K128 HydrophobicContact CB-CG 4.34Å; N125-K128 WeakPolarHBondContact O-CB 3.46Å; N125-K128 PolarHBondContact O-N 3.28Å; I126-K128 PolarHBondContact O-N 3.41Å |
| 129 | F | 70.7 | Confident | 74 | Confident | 21 Ų | 21 | 82.2 Ų | 82.2 | 9% | 0.092 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -135.1 | 33.4 | -172.9 | -64.8 | -69.4 | 0 | 0 | 0 | 112.5 | P16 P25 F105 L123 I126 C131 | P16-F129 HydrophobicContact CG-CZ 4.43Å; P25-F129 HydrophobicContact CB-CD1 4.01Å; P25-F129 HydrophobicContact CB-CE1 3.94Å; F105-F129 HydrophobicContact CE1-CB 4.01Å; F105-F129 HydrophobicContact CZ-CB 4.07Å; F105-F129 AromaticContact CZ-CD1 3.87Å; F105-F129 HydrophobicContact CZ-CD1 3.87Å; F105-F129 HydrophobicContact CZ-CG 4.27Å; L123-F129 HydrophobicContact CD2-CB 3.7Å; L123-F129 HydrophobicContact CD2-CD2 3.7Å; L123-F129 HydrophobicContact CD2-CG 3.97Å; I126-F129 CarbonylContact O-C 3.58Å; I126-F129 PolarHBondContact O-N 3.42Å; F129-C131 PolarHBondContact O-N 2.79Å; F129-C131 VanDerWaalsContact O-N 3.17Å |
| 130 | I | 68.8 | Low | 74.3 | Confident | 118 Ų | 118 | 81.1 Ų | 81.1 | 61% | 0.605 | 40% | 0.395 | S | S | * | . | trans | -73.2 | 108.9 | 179.9 | -55.4 | 179.8 | 0 | 0 | 0 | 109.7 | I126 | I126-I130 VanDerWaalsContact O-CG1 3.26Å; I126-I130 WeakPolarHBondContact O-CG1 3.32Å; I126-I130 PolarHBondContact O-N 3.37Å | ||
| 131 | C | 73.6 | Confident | 74.9 | Confident | 20 Ų | 20 | 77.9 Ų | 77.9 | 14% | 0.135 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 136.6 | 170.6 | -172.5 | 0 | 0 | 0 | 0 | 110 | F105 P109 F129 R133 | F105-C131 HydrophobicContact CD1-CB 4.31Å; P109-C131 HydrophobicContact CG-CB 3.9Å; F129-C131 PolarHBondContact O-N 2.79Å; F129-C131 VanDerWaalsContact O-N 3.17Å; C131-R133 PolarHBondContact O-N 3.33Å |
| 132 | P | 73.1 | Confident | 75.5 | Confident | 81 Ų | 81 | 76.5 Ų | 76.5 | 53% | 0.526 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 138 | 175.2 | 23.7 | -33.2 | 0 | 0 | 0 | 111.1 | K134 | P132-K134 PolarHBondContact O-N 3.19Š|
| 133 | R | 79.9 | Confident | 76.2 | Confident | 160 Ų | 160 | 75.4 Ų | 75.4 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 128.9 | 176.8 | -75.2 | -161.7 | 172.2 | 123.8 | -1.4 | 110.8 | T113 C131 E135 | T113-R133 VanDerWaalsContact CG2-CZ 3.49Å; C131-R133 PolarHBondContact O-N 3.33Å; R133-E135 HydrophobicContact CB-CG 4.41Å; R133-E135 WeakPolarHBondContact CD-OE1 3.41Å |
| 134 | K | 80.2 | Confident | 77 | Confident | 45 Ų | 45 | 75 Ų | 75 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | trans | -110.7 | 46.2 | 179.5 | -66.3 | -167.7 | -176.6 | -173.8 | 0 | 111.2 | E53 P109 L110 P132 K136 D137 | E53-K134 IonicContact OE1-NZ 3.14Å; E53-K134 PolarHBondContact OE1-NZ 2.92Å; E53-K134 VanDerWaalsContact OE1-NZ 3.14Å; E53-K134 VanDerWaalsContact OE2-CE 3.28Å; E53-K134 WeakPolarHBondContact OE2-CE 3.37Å; E53-K134 IonicContact OE2-NZ 2.72Å; E53-K134 PolarHBondContact OE2-NZ 3.34Å; P109-K134 CarbonylContact O-C 3.36Å; P109-K134 WeakPolarHBondContact O-CA 3.47Å; P109-K134 PolarHBondContact O-N 3.38Å; L110-K134 HydrophobicContact CD2-CB 4.02Å; P132-K134 PolarHBondContact O-N 3.19Å; K134-K136 PolarHBondContact O-N 3.1Å; K134-K136 VanDerWaalsContact O-N 3.14Å; K134-D137 HydrophobicContact CB-CB 4.19Å; K134-D137 PolarHBondContact O-N 3.48Å | ||
| 135 | E | 73.6 | Confident | 78.2 | Confident | 61 Ų | 61 | 67 Ų | 67 | 29% | 0.285 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.9 | -178.6 | -67.7 | 178.7 | -174.8 | 0 | 0 | 113.2 | T113 R133 R140 | T113-E135 PolarHBondContact N-OE1 2.83Å; R133-E135 HydrophobicContact CB-CG 4.41Å; R133-E135 WeakPolarHBondContact CD-OE1 3.41Å; E135-R140 WeakPolarHBondContact O-CD 3.45Å; E135-R140 PolarHBondContact O-NH1 2.84Å |
| 136 | K | 73.8 | Confident | 79.2 | Confident | 180 Ų | 180 | 67.9 Ų | 67.9 | 78% | 0.783 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 12.9 | -178 | -60.9 | -174.6 | 178.4 | -177.3 | 0 | 114.5 | K134 E138 Y189 | K134-K136 PolarHBondContact O-N 3.1Å; K134-K136 VanDerWaalsContact O-N 3.14Å; K136-E138 PolarHBondContact O-N 3.32Å; K136-Y189 PolarHBondContact O-OH 2.95Å |
| 137 | D | 78.3 | Confident | 80.5 | Confident | 34 Ų | 34 | 65.9 Ų | 65.9 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | trans | -62.2 | 132.6 | 177.1 | -171.4 | -13 | 0 | 0 | 0 | 110.5 | K134 E139 R140 K143 | K134-D137 HydrophobicContact CB-CB 4.19Å; K134-D137 PolarHBondContact O-N 3.48Å; D137-E139 PolarHBondContact O-N 3.43Å; D137-E139 PolarHBondContact OD1-N 2.95Å; D137-R140 HydrophobicContact CB-CB 4.19Å; D137-R140 WeakPolarHBondContact O-CB 3.43Å; D137-R140 PolarHBondContact O-N 3.28Å; D137-K143 IonicContact OD2-NZ 2.93Å; D137-K143 PolarHBondContact OD2-NZ 3.37Å | ||
| 138 | E | 76.9 | Confident | 81.6 | Confident | 137 Ų | 137 | 59.2 Ų | 59.2 | 64% | 0.64 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -25.5 | 179.9 | -67.6 | -168.8 | 171.2 | 0 | 0 | 112.7 | K136 R199 | K136-E138 PolarHBondContact O-N 3.32Å; E138-R199 PolarHBondContact O-NH2 3.25Å |
| 139 | E | 83.2 | Confident | 82.9 | Confident | 101 Ų | 101 | 59.4 Ų | 59.4 | 47% | 0.472 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 10.8 | 179.4 | -61 | -173.3 | 170.7 | 0 | 0 | 112.5 | D137 I141 E142 K143 | D137-E139 PolarHBondContact O-N 3.43Å; D137-E139 PolarHBondContact OD1-N 2.95Å; E139-I141 VanDerWaalsContact C-N 3.32Å; E139-I141 PolarHBondContact O-N 3.49Å; E139-E142 PolarHBondContact O-N 3.39Å; E139-K143 HydrophobicContact CB-CD 4.5Å; E139-K143 HydrophobicContact CB-CG 4.43Å; E139-K143 PolarHBondContact O-N 3.36Å |
| 140 | R | 86 | Confident | 83.9 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -49.2 | -46.5 | -175 | 179.2 | 177 | -179.8 | -169.2 | 0 | 113.7 | L110 E112 E135 D137 L144 | L110-R140 HydrophobicContact CB-CG 4.22Å; L110-R140 HydrophobicContact CD2-CG 4.24Å; L110-R140 PolarHBondContact O-NE 2.72Å; L110-R140 PolarHBondContact O-NH2 3.22Å; E112-R140 VanDerWaalsContact N-NH2 3.15Å; E112-R140 IonicContact OE1-NH1 3.97Å; E135-R140 WeakPolarHBondContact O-CD 3.45Å; E135-R140 PolarHBondContact O-NH1 2.84Å; D137-R140 HydrophobicContact CB-CB 4.19Å; D137-R140 WeakPolarHBondContact O-CB 3.43Å; D137-R140 PolarHBondContact O-N 3.28Å; R140-L144 HydrophobicContact CG-CD1 4.23Å; R140-L144 WeakPolarHBondContact O-CB 3.25Å; R140-L144 WeakPolarHBondContact O-CG 3.38Å; R140-L144 PolarHBondContact O-N 3.21Å |
| 141 | I | 85.6 | Confident | 85.1 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.8 | -43.3 | 178.5 | -64.4 | 168 | 0 | 0 | 0 | 110.9 | E139 K143 L144 M145 M186 L203 Y206 | E139-I141 VanDerWaalsContact C-N 3.32Å; E139-I141 PolarHBondContact O-N 3.49Å; I141-K143 VanDerWaalsContact C-N 3.31Å; I141-K143 PolarHBondContact O-N 3.37Å; I141-L144 PolarHBondContact O-N 3.01Å; I141-M145 HydrophobicContact CG2-CG 3.65Å; I141-M145 VanDerWaalsContact O-CB 3.27Å; I141-M145 WeakPolarHBondContact O-CB 3.34Å; I141-M145 WeakPolarHBondContact O-CG 3.33Å; I141-M145 PolarHBondContact O-N 3.01Å; I141-M186 HydrophobicContact CD1-CE 3.28Å; I141-M186 HydrophobicContact CD1-CG 3.55Å; I141-M186 HydrophobicContact CD1-SD 3.2Å; I141-M186 WeakPolarHBondContact CD1-SD 3.49Å; I141-M186 HydrophobicContact CG1-CE 4.11Å; I141-M186 HydrophobicContact CG1-CG 3.78Å; I141-M186 HydrophobicContact CG1-SD 3.35Å; I141-M186 WeakPolarHBondContact CG1-SD 3.39Å; I141-L203 HydrophobicContact CB-CD2 4.46Å; I141-L203 HydrophobicContact CD1-CB 4.22Å; I141-L203 HydrophobicContact CD1-CD2 3.55Å; I141-L203 HydrophobicContact CD1-CG 4.41Å; I141-L203 HydrophobicContact CG1-CD2 4.47Å; I141-Y206 HydrophobicContact CG2-CD2 4.14Å; I141-Y206 HydrophobicContact CG2-CG 3.86Å |
| 142 | E | 89 | Confident | 86 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 21% | 0.206 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | -175.3 | -70 | 157.7 | 152.3 | 0 | 0 | 110.3 | E139 M145 K146 R199 Y206 | E139-E142 PolarHBondContact O-N 3.39Å; E142-M145 PolarHBondContact O-N 3.02Å; E142-K146 WeakPolarHBondContact O-CG 3.29Å; E142-K146 PolarHBondContact O-N 3.36Å; E142-R199 VanDerWaalsContact CD-NH2 3.31Å; E142-R199 IonicContact OE1-CZ 3.41Å; E142-R199 IonicContact OE1-NH1 2.67Å; E142-R199 PolarHBondContact OE1-NH1 2.97Å; E142-R199 IonicContact OE1-NH2 3.33Å; E142-R199 PolarHBondContact OE1-NH2 3.11Å; E142-R199 IonicContact OE2-CZ 3.62Å; E142-R199 IonicContact OE2-NH1 3.55Å; E142-R199 IonicContact OE2-NH2 2.76Å; E142-R199 PolarHBondContact OE2-NH2 3.41Å; E142-Y206 HydrophobicContact CG-CE2 3.87Å |
| 143 | K | 90.8 | Very high | 86.8 | Confident | 20 Ų | 20 | 51.4 Ų | 51.4 | 9% | 0.087 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -48.7 | 173.4 | -65.4 | -179.2 | -175.2 | -177.6 | 0 | 111.9 | E56 L110 D137 E139 I141 M145 K146 I147 | E56-K143 WeakPolarHBondContact OE1-CD 3.39Å; E56-K143 WeakPolarHBondContact OE1-CE 3.49Å; E56-K143 IonicContact OE1-NZ 3.03Å; E56-K143 PolarHBondContact OE1-NZ 3.18Å; E56-K143 IonicContact OE2-NZ 2.97Å; E56-K143 PolarHBondContact OE2-NZ 2.91Å; L110-K143 HydrophobicContact CD1-CB 3.63Å; D137-K143 IonicContact OD2-NZ 2.93Å; D137-K143 PolarHBondContact OD2-NZ 3.37Å; E139-K143 HydrophobicContact CB-CD 4.5Å; E139-K143 HydrophobicContact CB-CG 4.43Å; E139-K143 PolarHBondContact O-N 3.36Å; I141-K143 VanDerWaalsContact C-N 3.31Å; I141-K143 PolarHBondContact O-N 3.37Å; K143-M145 VanDerWaalsContact C-N 3.31Å; K143-M145 PolarHBondContact O-N 2.86Å; K143-K146 PolarHBondContact O-N 3.15Å; K143-I147 PolarHBondContact O-N 3.26Å |
| 144 | L | 92 | Very high | 87.3 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -41.3 | 175 | -81.4 | 170.7 | 0 | 0 | 0 | 112 | I107 L110 R140 I141 K146 I147 I148 Q181 | I107-L144 HydrophobicContact CG2-CD2 4.5Å; L110-L144 HydrophobicContact CB-CD1 4.12Å; L110-L144 HydrophobicContact CB-CD2 3.96Å; L110-L144 HydrophobicContact CB-CG 3.88Å; L110-L144 HydrophobicContact CD1-CD2 4.22Å; L110-L144 HydrophobicContact CD1-CG 3.86Å; R140-L144 HydrophobicContact CG-CD1 4.23Å; R140-L144 WeakPolarHBondContact O-CB 3.25Å; R140-L144 WeakPolarHBondContact O-CG 3.38Å; R140-L144 PolarHBondContact O-N 3.21Å; I141-L144 PolarHBondContact O-N 3.01Å; L144-K146 PolarHBondContact O-N 3.4Å; L144-I147 PolarHBondContact O-N 2.87Å; L144-I148 HydrophobicContact CB-CD1 4.48Å; L144-I148 WeakPolarHBondContact O-CB 3.44Å; L144-I148 VanDerWaalsContact O-CG1 3.24Å; L144-I148 WeakPolarHBondContact O-CG1 3.29Å; L144-I148 PolarHBondContact O-N 3.26Å; L144-Q181 HydrophobicContact CD1-CB 4.49Å; L144-Q181 HydrophobicContact CD1-CG 4.11Å |
| 145 | M | 92.2 | Very high | 87.6 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.3 | -34.2 | -179.3 | -74.3 | -59.3 | -61.9 | 0 | 0 | 112.2 | I141 E142 K143 I147 I148 K149 Y206 E209 S210 | I141-M145 HydrophobicContact CG2-CG 3.65Å; I141-M145 VanDerWaalsContact O-CB 3.27Å; I141-M145 WeakPolarHBondContact O-CB 3.34Å; I141-M145 WeakPolarHBondContact O-CG 3.33Å; I141-M145 PolarHBondContact O-N 3.01Å; E142-M145 PolarHBondContact O-N 3.02Å; K143-M145 VanDerWaalsContact C-N 3.31Å; K143-M145 PolarHBondContact O-N 2.86Å; M145-I147 VanDerWaalsContact C-N 3.33Å; M145-I148 HydrophobicContact SD-CD1 3.88Å; M145-K149 WeakPolarHBondContact O-CB 3.42Å; M145-K149 VanDerWaalsContact O-CG 3.23Å; M145-K149 WeakPolarHBondContact O-CG 3.42Å; M145-K149 PolarHBondContact O-N 2.98Å; M145-Y206 HydrophobicContact CB-CD1 4.33Å; M145-Y206 HydrophobicContact CB-CE1 4.37Å; M145-Y206 HydrophobicContact CE-CD1 4.29Å; M145-Y206 HydrophobicContact CG-CD1 3.76Å; M145-Y206 HydrophobicContact CG-CE1 4.29Å; M145-Y206 HydrophobicContact CG-CG 4.32Å; M145-E209 HydrophobicContact CE-CG 4.43Å; M145-S210 PolarHBondContact SD-OG 3.24Å; M145-S210 VanDerWaalsContact SD-OG 3.34Å |
| 146 | K | 91.3 | Very high | 88.2 | Confident | 108 Ų | 108 | 46.9 Ų | 46.9 | 47% | 0.47 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.8 | -45.9 | 169.8 | -75.3 | -178 | -179.9 | -176 | 0 | 110.7 | E142 K143 L144 C150 | E142-K146 WeakPolarHBondContact O-CG 3.29Å; E142-K146 PolarHBondContact O-N 3.36Å; K143-K146 PolarHBondContact O-N 3.15Å; L144-K146 PolarHBondContact O-N 3.4Å; K146-C150 PolarHBondContact O-N 2.97Å |
| 147 | I | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.9 | -45.9 | 179.3 | -59.5 | 162.9 | 0 | 0 | 0 | 111.5 | Y59 L63 V102 G106 I107 K143 L144 M145 K149 C150 L151 | Y59-I147 HydrophobicContact CD2-CD1 4.46Å; Y59-I147 HydrophobicContact CD2-CG1 4.49Å; Y59-I147 HydrophobicContact CE2-CD1 4.18Å; Y59-I147 HydrophobicContact CE2-CG1 4.25Å; L63-I147 HydrophobicContact CD1-CG1 4.02Å; V102-I147 HydrophobicContact CG1-CG2 3.81Å; G106-I147 WeakPolarHBondContact O-CD1 3.46Å; I107-I147 HydrophobicContact CD1-CG2 3.81Å; I107-I147 HydrophobicContact CG1-CD1 4.14Å; I107-I147 HydrophobicContact CG1-CG2 3.76Å; K143-I147 PolarHBondContact O-N 3.26Å; L144-I147 PolarHBondContact O-N 2.87Å; M145-I147 VanDerWaalsContact C-N 3.33Å; I147-K149 VanDerWaalsContact C-N 3.3Å; I147-K149 PolarHBondContact O-N 3.31Å; I147-C150 WeakPolarHBondContact O-CB 3.5Å; I147-C150 PolarHBondContact O-N 3.08Å; I147-C150 VanDerWaalsContact O-N 3.1Å; I147-L151 HydrophobicContact CG2-CD1 4.14Å; I147-L151 HydrophobicContact CG2-CG 4.42Å; I147-L151 PolarHBondContact O-N 2.96Å |
| 148 | I | 94.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.5 | -45.2 | 177.5 | -72.6 | 164.2 | 0 | 0 | 0 | 110.5 | L144 M145 C150 L151 L152 L175 L179 | L144-I148 HydrophobicContact CB-CD1 4.48Å; L144-I148 WeakPolarHBondContact O-CB 3.44Å; L144-I148 VanDerWaalsContact O-CG1 3.24Å; L144-I148 WeakPolarHBondContact O-CG1 3.29Å; L144-I148 PolarHBondContact O-N 3.26Å; M145-I148 HydrophobicContact SD-CD1 3.88Å; I148-C150 VanDerWaalsContact C-N 3.31Å; I148-C150 PolarHBondContact O-N 3.49Å; I148-L151 PolarHBondContact O-N 3.35Å; I148-L152 HydrophobicContact CG2-CD1 3.68Å; I148-L152 HydrophobicContact CG2-CG 4.3Å; I148-L152 WeakPolarHBondContact O-CB 3.49Å; I148-L152 VanDerWaalsContact O-CG 3.25Å; I148-L152 WeakPolarHBondContact O-CG 3.47Å; I148-L152 PolarHBondContact O-N 3.32Å; I148-L175 HydrophobicContact CB-CD1 4.43Å; I148-L175 HydrophobicContact CG1-CD1 4.37Å; I148-L175 HydrophobicContact CG2-CD1 4.04Å; I148-L179 HydrophobicContact CD1-CD2 4.17Å; I148-L179 HydrophobicContact CD1-CG 4.32Å; I148-L179 HydrophobicContact CG2-CD2 3.76Å; I148-L179 HydrophobicContact CG2-CG 4.18Å |
| 149 | K | 93.7 | Very high | 88.7 | Confident | 92 Ų | 92 | 38.4 Ų | 38.4 | 40% | 0.4 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.7 | -40.2 | 177.4 | -76.1 | 175 | -179 | -176.1 | 0 | 112.1 | M145 I147 C153 | M145-K149 WeakPolarHBondContact O-CB 3.42Å; M145-K149 VanDerWaalsContact O-CG 3.23Å; M145-K149 WeakPolarHBondContact O-CG 3.42Å; M145-K149 PolarHBondContact O-N 2.98Å; I147-K149 VanDerWaalsContact C-N 3.3Å; I147-K149 PolarHBondContact O-N 3.31Å; K149-C153 WeakPolarHBondContact O-CB 3.39Å; K149-C153 PolarHBondContact O-N 2.67Å; K149-C153 PolarHBondContact O-SG 3.1Å |
| 150 | C | 92.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -48.4 | 176.6 | -171.8 | 0 | 0 | 0 | 0 | 111.4 | L63 Y67 K146 I147 I148 L152 C153 L154 | L63-C150 HydrophobicContact CD2-CB 3.6Å; Y67-C150 HydrophobicContact CE1-CB 4.34Å; Y67-C150 HydrophobicContact CE2-CB 3.77Å; Y67-C150 VanDerWaalsContact OH-CA 3.29Å; Y67-C150 WeakPolarHBondContact OH-CA 3.32Å; Y67-C150 PolarHBondContact OH-N 3.41Å; Y67-C150 VanDerWaalsContact OH-N 3.08Å; K146-C150 PolarHBondContact O-N 2.97Å; I147-C150 WeakPolarHBondContact O-CB 3.5Å; I147-C150 PolarHBondContact O-N 3.08Å; I147-C150 VanDerWaalsContact O-N 3.1Å; I148-C150 VanDerWaalsContact C-N 3.31Å; I148-C150 PolarHBondContact O-N 3.49Å; C150-L152 VanDerWaalsContact C-N 3.34Å; C150-L152 PolarHBondContact O-N 2.91Å; C150-C153 WeakPolarHBondContact O-CB 3.46Å; C150-C153 PolarHBondContact O-N 3.09Å; C150-C153 VanDerWaalsContact O-N 3.14Å; C150-L154 WeakPolarHBondContact O-CG 3.43Å; C150-L154 PolarHBondContact O-N 3.26Å |
| 151 | L | 93.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -39.4 | 178 | -69.1 | 176 | 0 | 0 | 0 | 112.6 | L99 I107 I147 I148 L154 K155 V166 L175 | L99-L151 HydrophobicContact CD1-CD2 3.8Å; L99-L151 HydrophobicContact CD2-CD2 3.74Å; L99-L151 HydrophobicContact CG-CD2 4.06Å; I107-L151 HydrophobicContact CD1-CD1 4.08Å; I147-L151 HydrophobicContact CG2-CD1 4.14Å; I147-L151 HydrophobicContact CG2-CG 4.42Å; I147-L151 PolarHBondContact O-N 2.96Å; I148-L151 PolarHBondContact O-N 3.35Å; L151-L154 PolarHBondContact O-N 3.19Å; L151-K155 PolarHBondContact O-N 3.34Å; L151-V166 HydrophobicContact CD2-CG2 4.27Å; L151-L175 HydrophobicContact CB-CD1 3.96Å; L151-L175 HydrophobicContact CB-CD2 4.46Å; L151-L175 HydrophobicContact CD1-CB 4.1Å; L151-L175 HydrophobicContact CD1-CD1 4.24Å |
| 152 | L | 92.2 | Very high | 88.3 | Confident | 28 Ų | 28 | 40.6 Ų | 40.6 | 15% | 0.147 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 173.6 | -70.2 | 167.1 | 0 | 0 | 0 | 111.4 | I148 C150 L154 K155 E156 L175 V213 L217 | I148-L152 HydrophobicContact CG2-CD1 3.68Å; I148-L152 HydrophobicContact CG2-CG 4.3Å; I148-L152 WeakPolarHBondContact O-CB 3.49Å; I148-L152 VanDerWaalsContact O-CG 3.25Å; I148-L152 WeakPolarHBondContact O-CG 3.47Å; I148-L152 PolarHBondContact O-N 3.32Å; C150-L152 VanDerWaalsContact C-N 3.34Å; C150-L152 PolarHBondContact O-N 2.91Å; L152-L154 VanDerWaalsContact C-N 3.26Å; L152-L154 PolarHBondContact O-N 3.45Å; L152-K155 PolarHBondContact O-N 2.97Å; L152-K155 VanDerWaalsContact O-N 3.14Å; L152-E156 WeakPolarHBondContact O-CB 3.41Å; L152-E156 WeakPolarHBondContact O-CG 3.29Å; L152-E156 PolarHBondContact O-N 2.92Å; L152-L175 HydrophobicContact CD2-CD1 4.47Å; L152-L175 HydrophobicContact CD2-CD2 4.04Å; L152-L175 HydrophobicContact CG-CD1 4.33Å; L152-V213 HydrophobicContact CD1-CG1 3.68Å; L152-V213 HydrophobicContact CD2-CG1 4.13Å; L152-L217 HydrophobicContact CD2-CD1 4.05Å |
| 153 | C | 90.8 | Very high | 88.2 | Confident | 41 Ų | 41 | 42.4 Ų | 42.4 | 28% | 0.277 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60 | -34.6 | 175.6 | -78.3 | 0 | 0 | 0 | 0 | 113 | Y67 N70 K149 C150 S157 | Y67-C153 HydrophobicContact CE1-CB 4.23Å; N70-C153 PolarHBondContact ND2-O 3.09Å; N70-C153 VanDerWaalsContact ND2-O 3.09Å; K149-C153 WeakPolarHBondContact O-CB 3.39Å; K149-C153 PolarHBondContact O-N 2.67Å; K149-C153 PolarHBondContact O-SG 3.1Å; C150-C153 WeakPolarHBondContact O-CB 3.46Å; C150-C153 PolarHBondContact O-N 3.09Å; C150-C153 VanDerWaalsContact O-N 3.14Å; C153-S157 PolarHBondContact O-N 3.04Å |
| 154 | L | 89.3 | Confident | 87.9 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.3 | -40.8 | 174.2 | -66 | 174.1 | 0 | 0 | 0 | 111.7 | L66 N70 L99 C150 L151 L152 E156 S157 L162 V166 | L66-L154 HydrophobicContact CD1-CD1 4.41Å; L66-L154 HydrophobicContact CD2-CD1 4.27Å; N70-L154 HydrophobicContact CB-CD2 4.49Å; L99-L154 HydrophobicContact CD1-CD1 4.04Å; C150-L154 WeakPolarHBondContact O-CG 3.43Å; C150-L154 PolarHBondContact O-N 3.26Å; L151-L154 PolarHBondContact O-N 3.19Å; L152-L154 VanDerWaalsContact C-N 3.26Å; L152-L154 PolarHBondContact O-N 3.45Å; L154-E156 VanDerWaalsContact C-N 3.34Å; L154-E156 PolarHBondContact O-N 3.4Å; L154-S157 VanDerWaalsContact O-CB 3.25Å; L154-S157 WeakPolarHBondContact O-CB 3.32Å; L154-S157 PolarHBondContact O-N 3.47Å; L154-S157 PolarHBondContact O-OG 2.83Å; L154-L162 HydrophobicContact CD2-CD2 4.45Å; L154-V166 HydrophobicContact CB-CG2 3.88Å |
| 155 | K | 87.6 | Confident | 87.6 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 19% | 0.187 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -37.2 | 176.1 | -177 | 175.1 | 177.6 | 172.1 | 0 | 112.6 | L151 L152 S157 Q163 V166 L217 | L151-K155 PolarHBondContact O-N 3.34Å; L152-K155 PolarHBondContact O-N 2.97Å; L152-K155 VanDerWaalsContact O-N 3.14Å; K155-S157 VanDerWaalsContact C-N 3.3Å; K155-Q163 WeakPolarHBondContact O-CG 3.42Å; K155-V166 HydrophobicContact CB-CB 4.17Å; K155-V166 HydrophobicContact CB-CG1 4.25Å; K155-L217 HydrophobicContact CD-CD1 3.76Å |
| 156 | E | 86.9 | Confident | 87.3 | Confident | 128 Ų | 128 | 48.6 Ų | 48.6 | 60% | 0.598 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 0.4 | 178.8 | -65.6 | 177.5 | 173.5 | 0 | 0 | 113 | L152 L154 | L152-E156 WeakPolarHBondContact O-CB 3.41Å; L152-E156 WeakPolarHBondContact O-CG 3.29Å; L152-E156 PolarHBondContact O-N 2.92Å; L154-E156 VanDerWaalsContact C-N 3.34Å; L154-E156 PolarHBondContact O-N 3.4Å |
| 157 | S | 82.9 | Confident | 87 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | trans | -64.5 | 150.2 | -179.6 | 71.9 | 0 | 0 | 0 | 0 | 111.5 | N70 C153 L154 K155 S159 L162 Q163 | N70-S157 WeakPolarHBondContact OD1-CB 3.4Å; C153-S157 PolarHBondContact O-N 3.04Å; L154-S157 VanDerWaalsContact O-CB 3.25Å; L154-S157 WeakPolarHBondContact O-CB 3.32Å; L154-S157 PolarHBondContact O-N 3.47Å; L154-S157 PolarHBondContact O-OG 2.83Å; K155-S157 VanDerWaalsContact C-N 3.3Å; S157-S159 PolarHBondContact O-N 3.14Å; S157-S159 PolarHBondContact OG-O 2.9Å; S157-L162 VanDerWaalsContact OG-CB 3.32Å; S157-L162 WeakPolarHBondContact OG-CB 3.43Å; S157-Q163 VanDerWaalsContact O-CG 3.24Å; S157-Q163 WeakPolarHBondContact O-CG 3.25Å; S157-Q163 PolarHBondContact O-NE2 3.32Å | ||
| 158 | K | 76.2 | Confident | 85.9 | Confident | 163 Ų | 163 | 47.8 Ų | 47.8 | 71% | 0.709 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -75 | -10.8 | 176.1 | -68.2 | -174.3 | 178.4 | -176.9 | 0 | 113.6 | A77 | A77-K158 HydrophobicContact CB-CD 4.16Š|
| 159 | S | 78.5 | Confident | 84.9 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | trans | -87.5 | 119.2 | -178.1 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | S157 Q161 L162 Q163 | S157-S159 PolarHBondContact O-N 3.14Å; S157-S159 PolarHBondContact OG-O 2.9Å; S159-Q161 PolarHBondContact O-N 3.4Å; S159-L162 PolarHBondContact O-N 3.21Å; S159-L162 VanDerWaalsContact O-N 3.15Å; S159-Q163 WeakPolarHBondContact O-CG 3.25Å; S159-Q163 PolarHBondContact O-N 3.08Å | ||
| 160 | F | 80.7 | Confident | 84.4 | Confident | 145 Ų | 145 | 50.1 Ų | 50.1 | 64% | 0.636 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -56.2 | -36.9 | 175.3 | 179.9 | -101.1 | 0 | 0 | 0 | 112.5 | Q163 R164 | F160-Q163 PolarHBondContact O-N 2.93Å; F160-R164 VanDerWaalsContact O-CB 3.24Å; F160-R164 WeakPolarHBondContact O-CB 3.47Å; F160-R164 PolarHBondContact O-N 3.11Å |
| 161 | Q | 82.4 | Confident | 84.2 | Confident | 20 Ų | 20 | 50.4 Ų | 50.4 | 9% | 0.093 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.2 | -38.4 | 179.4 | -64.5 | 178.1 | -61.2 | 0 | 0 | 112.4 | F87 E92 S159 | F87-Q161 HydrophobicContact CD2-CB 3.79Å; F87-Q161 HydrophobicContact CD2-CG 4.44Å; F87-Q161 VanDerWaalsContact CD2-OE1 3.25Å; F87-Q161 HydrophobicContact CE2-CB 4.37Å; F87-Q161 PolarHBondContact O-NE2 2.97Å; E92-Q161 VanDerWaalsContact OE1-CG 3.29Å; E92-Q161 WeakPolarHBondContact OE1-CG 3.38Å; E92-Q161 PolarHBondContact OE1-NE2 3.38Å; S159-Q161 PolarHBondContact O-N 3.4Å |
| 162 | L | 84.9 | Confident | 84 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -75 | -40.2 | 175.1 | -65.7 | 178 | 0 | 0 | 0 | 111.9 | F87 L95 L154 S157 S159 R164 L165 | F87-L162 HydrophobicContact CE2-CD1 4.42Å; F87-L162 HydrophobicContact CE2-CD2 3.87Å; F87-L162 HydrophobicContact CE2-CG 3.86Å; F87-L162 HydrophobicContact CZ-CD1 4.49Å; F87-L162 HydrophobicContact CZ-CD2 4.11Å; F87-L162 HydrophobicContact CZ-CG 4.31Å; L95-L162 HydrophobicContact CD1-CD2 4.16Å; L95-L162 HydrophobicContact CD2-CD2 4.46Å; L154-L162 HydrophobicContact CD2-CD2 4.45Å; S157-L162 VanDerWaalsContact OG-CB 3.32Å; S157-L162 WeakPolarHBondContact OG-CB 3.43Å; S159-L162 PolarHBondContact O-N 3.21Å; S159-L162 VanDerWaalsContact O-N 3.15Å; L162-R164 PolarHBondContact O-N 3.01Å; L162-L165 HydrophobicContact CD2-CD1 4.01Å; L162-L165 WeakPolarHBondContact O-CB 3.37Å; L162-L165 PolarHBondContact O-N 3.39Å; L162-L165 VanDerWaalsContact O-N 3.12Å |
| 163 | Q | 85.7 | Confident | 83.9 | Confident | 81 Ų | 81 | 49.5 Ų | 49.5 | 38% | 0.379 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.1 | -39.6 | 172.9 | -70.3 | -171.7 | -7.2 | 0 | 0 | 111.6 | K155 S157 S159 F160 L165 V166 S167 | K155-Q163 WeakPolarHBondContact O-CG 3.42Å; S157-Q163 VanDerWaalsContact O-CG 3.24Å; S157-Q163 WeakPolarHBondContact O-CG 3.25Å; S157-Q163 PolarHBondContact O-NE2 3.32Å; S159-Q163 WeakPolarHBondContact O-CG 3.25Å; S159-Q163 PolarHBondContact O-N 3.08Å; F160-Q163 PolarHBondContact O-N 2.93Å; Q163-L165 PolarHBondContact O-N 3.13Å; Q163-V166 CarbonylContact O-C 3.53Å; Q163-V166 PolarHBondContact O-N 2.91Å; Q163-S167 PolarHBondContact O-N 3.19Å |
| 164 | R | 85.3 | Confident | 83.8 | Confident | 137 Ų | 137 | 47.6 Ų | 47.6 | 52% | 0.517 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.1 | -27.2 | 178.6 | -176.2 | 176.6 | 167 | -167.9 | -4.2 | 112.8 | F160 L162 V166 S167 S170 | F160-R164 VanDerWaalsContact O-CB 3.24Å; F160-R164 WeakPolarHBondContact O-CB 3.47Å; F160-R164 PolarHBondContact O-N 3.11Å; L162-R164 PolarHBondContact O-N 3.01Å; R164-V166 PolarHBondContact O-N 2.74Å; R164-S167 VanDerWaalsContact O-CB 3.23Å; R164-S167 WeakPolarHBondContact O-CB 3.35Å; R164-S167 PolarHBondContact O-N 3.09Å; R164-S167 PolarHBondContact O-OG 3.08Å; R164-S170 PolarHBondContact O-OG 3.28Å; R164-S170 VanDerWaalsContact O-OG 3.12Å |
| 165 | L | 84.9 | Confident | 84 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -32.5 | 172.3 | -62.6 | 170.3 | 0 | 0 | 0 | 111.4 | L95 L99 L162 Q163 S170 F171 | L95-L165 HydrophobicContact CB-CD1 3.94Å; L95-L165 HydrophobicContact CB-CD2 4.14Å; L95-L165 HydrophobicContact CD1-CD1 4.47Å; L95-L165 HydrophobicContact CD2-CD1 4.41Å; L99-L165 HydrophobicContact CD2-CB 4.37Å; L162-L165 HydrophobicContact CD2-CD1 4.01Å; L162-L165 WeakPolarHBondContact O-CB 3.37Å; L162-L165 PolarHBondContact O-N 3.39Å; L162-L165 VanDerWaalsContact O-N 3.12Å; Q163-L165 PolarHBondContact O-N 3.13Å; L165-S170 VanDerWaalsContact C-OG 3.23Å; L165-S170 VanDerWaalsContact O-CB 3.29Å; L165-S170 WeakPolarHBondContact O-CB 3.46Å; L165-S170 PolarHBondContact O-OG 3.1Å; L165-F171 VanDerWaalsContact O-CD2 3.24Å; L165-F171 WeakPolarHBondContact O-CD2 3.48Å |
| 166 | V | 86.1 | Confident | 84.3 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 40.2 | 176.5 | -162.6 | 0 | 0 | 0 | 0 | 110.6 | L151 L154 K155 Q163 R164 L175 | L151-V166 HydrophobicContact CD2-CG2 4.27Å; L154-V166 HydrophobicContact CB-CG2 3.88Å; K155-V166 HydrophobicContact CB-CB 4.17Å; K155-V166 HydrophobicContact CB-CG1 4.25Å; Q163-V166 CarbonylContact O-C 3.53Å; Q163-V166 PolarHBondContact O-N 2.91Å; R164-V166 PolarHBondContact O-N 2.74Å; V166-L175 HydrophobicContact CG1-CD2 3.95Å |
| 167 | S | 84.7 | Confident | 84.5 | Confident | 32 Ų | 32 | 39.4 Ų | 39.4 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -90.1 | 174 | 174.2 | 71.7 | 0 | 0 | 0 | 0 | 112.2 | Q163 R164 T169 S170 L172 | Q163-S167 PolarHBondContact O-N 3.19Å; R164-S167 VanDerWaalsContact O-CB 3.23Å; R164-S167 WeakPolarHBondContact O-CB 3.35Å; R164-S167 PolarHBondContact O-N 3.09Å; R164-S167 PolarHBondContact O-OG 3.08Å; S167-T169 PolarHBondContact O-N 2.79Å; S167-T169 PolarHBondContact OG-OG1 3.26Å; S167-S170 PolarHBondContact N-OG 3.19Å; S167-S170 VanDerWaalsContact N-OG 3.11Å; S167-S170 PolarHBondContact O-N 2.93Å; S167-S170 PolarHBondContact O-OG 3.41Å; S167-S170 PolarHBondContact OG-OG 2.93Å; S167-L172 WeakPolarHBondContact O-CB 3.49Å; S167-L172 PolarHBondContact O-N 3.05Å |
| 168 | T | 70.9 | Confident | 85 | Confident | 59 Ų | 59 | 39.3 Ų | 39.3 | 36% | 0.362 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -24.6 | -176.6 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | L172 I225 | T168-L172 HydrophobicContact CG2-CD2 3.8Å; T168-I225 HydrophobicContact CG2-CB 4.43Å; T168-I225 HydrophobicContact CG2-CD1 3.91Å; T168-I225 HydrophobicContact CG2-CG1 4.43Å; T168-I225 HydrophobicContact CG2-CG2 3.26Å |
| 169 | T | 73.3 | Confident | 85.9 | Confident | 119 Ų | 119 | 31.5 Ų | 31.5 | 73% | 0.73 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -8.3 | -179.5 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | S167 | S167-T169 PolarHBondContact O-N 2.79Å; S167-T169 PolarHBondContact OG-OG1 3.26Å |
| 170 | S | 83.2 | Confident | 86.6 | Confident | 23 Ų | 23 | 31.2 Ų | 31.2 | 16% | 0.161 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -104.3 | -175.5 | 56.7 | 0 | 0 | 0 | 0 | 111.3 | R122 R164 L165 S167 | R122-S170 PolarHBondContact NH2-O 3.1Å; R164-S170 PolarHBondContact O-OG 3.28Å; R164-S170 VanDerWaalsContact O-OG 3.12Å; L165-S170 VanDerWaalsContact C-OG 3.23Å; L165-S170 VanDerWaalsContact O-CB 3.29Å; L165-S170 WeakPolarHBondContact O-CB 3.46Å; L165-S170 PolarHBondContact O-OG 3.1Å; S167-S170 PolarHBondContact N-OG 3.19Å; S167-S170 VanDerWaalsContact N-OG 3.11Å; S167-S170 PolarHBondContact O-N 2.93Å; S167-S170 PolarHBondContact O-OG 3.41Å; S167-S170 PolarHBondContact OG-OG 2.93Å |
| 171 | F | 88.7 | Confident | 87.2 | Confident | 7 Ų | 7 | 24.5 Ų | 24.5 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 8.7 | -165.7 | -57.6 | -74.2 | 0 | 0 | 0 | 114.2 | L99 Q100 V103 L165 G173 D174 L175 | L99-F171 HydrophobicContact CB-CD2 4.07Å; L99-F171 HydrophobicContact CB-CE2 3.83Å; L99-F171 HydrophobicContact CB-CZ 4.18Å; L99-F171 HydrophobicContact CD2-CB 3.83Å; L99-F171 HydrophobicContact CD2-CD1 4.47Å; L99-F171 HydrophobicContact CD2-CD2 3.18Å; L99-F171 HydrophobicContact CD2-CE2 3.83Å; L99-F171 HydrophobicContact CD2-CG 3.58Å; L99-F171 HydrophobicContact CG-CD2 4.03Å; L99-F171 HydrophobicContact CG-CE2 4.31Å; L99-F171 HydrophobicContact CG-CG 4.31Å; Q100-F171 HydrophobicContact CG-CE1 4.02Å; Q100-F171 HydrophobicContact CG-CZ 3.63Å; V103-F171 HydrophobicContact CG2-CD1 3.77Å; V103-F171 HydrophobicContact CG2-CE1 4.19Å; L165-F171 VanDerWaalsContact O-CD2 3.24Å; L165-F171 WeakPolarHBondContact O-CD2 3.48Å; F171-G173 VanDerWaalsContact C-N 3.29Å; F171-G173 PolarHBondContact O-N 3.06Å; F171-D174 PolarHBondContact O-N 3.21Å; F171-L175 PolarHBondContact O-N 3.42Å; F171-L175 VanDerWaalsContact O-N 3.11Å |
| 172 | L | 89.8 | Confident | 87.5 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 174.9 | 179.4 | 66.8 | 0 | 0 | 0 | 111.7 | S167 T168 D174 L175 I176 L217 L221 I225 E229 | S167-L172 WeakPolarHBondContact O-CB 3.49Å; S167-L172 PolarHBondContact O-N 3.05Å; T168-L172 HydrophobicContact CG2-CD2 3.8Å; L172-D174 VanDerWaalsContact C-N 3.28Å; L172-D174 PolarHBondContact O-N 3.05Å; L172-L175 WeakPolarHBondContact O-CB 3.45Å; L172-L175 PolarHBondContact O-N 2.85Å; L172-I176 HydrophobicContact CD1-CD1 4.21Å; L172-I176 HydrophobicContact CD1-CG1 4.41Å; L172-I176 HydrophobicContact CD2-CD1 4.41Å; L172-I176 HydrophobicContact CG-CD1 3.89Å; L172-I176 HydrophobicContact CG-CG1 4.45Å; L172-I176 WeakPolarHBondContact O-CG1 3.46Å; L172-I176 PolarHBondContact O-N 3.37Å; L172-L217 HydrophobicContact CD1-CD2 4.37Å; L172-L221 HydrophobicContact CD1-CD1 4.37Å; L172-L221 HydrophobicContact CD2-CD1 3.98Å; L172-L221 HydrophobicContact CD2-CD2 3.86Å; L172-I225 HydrophobicContact CD2-CG2 4.4Å; L172-E229 HydrophobicContact CD2-CG 4.48Å |
| 173 | G | 88.3 | Confident | 87.8 | Confident | 9 Ų | 9 | 23.6 Ų | 23.6 | 9% | 0.093 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.1 | -37.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F171 I176 A177 E229 | F171-G173 VanDerWaalsContact C-N 3.29Å; F171-G173 PolarHBondContact O-N 3.06Å; G173-I176 PolarHBondContact O-N 2.83Å; G173-A177 WeakPolarHBondContact O-CB 3.33Å; G173-A177 PolarHBondContact O-N 2.91Å; G173-E229 WeakPolarHBondContact CA-OE2 3.46Å |
| 174 | D | 90 | Very high | 87.9 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -71.6 | -37.2 | 178.2 | -54.2 | -77.4 | 0 | 0 | 0 | 111.7 | V103 I107 R122 F171 L172 A177 S178 | V103-D174 HydrophobicContact CG1-CB 4.3Å; V103-D174 HydrophobicContact CG2-CB 4.27Å; I107-D174 HydrophobicContact CD1-CB 4.4Å; R122-D174 IonicContact CZ-OD2 2.85Å; R122-D174 VanDerWaalsContact CZ-OD2 3.26Å; R122-D174 IonicContact NE-OD1 3.44Å; R122-D174 PolarHBondContact NE-OD1 3.34Å; R122-D174 IonicContact NE-OD2 2.79Å; R122-D174 PolarHBondContact NE-OD2 3.43Å; R122-D174 IonicContact NH2-OD1 2.98Å; R122-D174 IonicContact NH2-OD2 2.97Å; R122-D174 PolarHBondContact NH2-OD2 2.68Å; F171-D174 PolarHBondContact O-N 3.21Å; L172-D174 VanDerWaalsContact C-N 3.28Å; L172-D174 PolarHBondContact O-N 3.05Å; D174-A177 PolarHBondContact O-N 3.27Å; D174-S178 WeakPolarHBondContact O-CB 3.42Å; D174-S178 PolarHBondContact O-N 3.08Å; D174-S178 PolarHBondContact O-OG 3.42Å |
| 175 | L | 93.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.1 | -47.3 | 171.1 | 172.2 | 60.5 | 0 | 0 | 0 | 111.2 | I148 L151 L152 V166 F171 L172 S178 L179 L217 | I148-L175 HydrophobicContact CB-CD1 4.43Å; I148-L175 HydrophobicContact CG1-CD1 4.37Å; I148-L175 HydrophobicContact CG2-CD1 4.04Å; L151-L175 HydrophobicContact CB-CD1 3.96Å; L151-L175 HydrophobicContact CB-CD2 4.46Å; L151-L175 HydrophobicContact CD1-CB 4.1Å; L151-L175 HydrophobicContact CD1-CD1 4.24Å; L152-L175 HydrophobicContact CD2-CD1 4.47Å; L152-L175 HydrophobicContact CD2-CD2 4.04Å; L152-L175 HydrophobicContact CG-CD1 4.33Å; V166-L175 HydrophobicContact CG1-CD2 3.95Å; F171-L175 PolarHBondContact O-N 3.42Å; F171-L175 VanDerWaalsContact O-N 3.11Å; L172-L175 WeakPolarHBondContact O-CB 3.45Å; L172-L175 PolarHBondContact O-N 2.85Å; L175-S178 PolarHBondContact O-N 3.44Å; L175-L179 HydrophobicContact CD1-CD1 4.02Å; L175-L179 HydrophobicContact CD1-CG 4.32Å; L175-L179 HydrophobicContact CG-CD1 4.12Å; L175-L179 WeakPolarHBondContact O-CB 3.17Å; L175-L179 WeakPolarHBondContact O-CG 3.42Å; L175-L179 PolarHBondContact O-N 2.96Å; L175-L217 HydrophobicContact CD2-CD1 4.24Å; L175-L217 HydrophobicContact CD2-CD2 4.28Å |
| 176 | I | 93.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | 179.3 | -65.5 | 170.8 | 0 | 0 | 0 | 110.1 | L172 G173 S178 L179 F180 L214 L217 L221 E229 L233 | L172-I176 HydrophobicContact CD1-CD1 4.21Å; L172-I176 HydrophobicContact CD1-CG1 4.41Å; L172-I176 HydrophobicContact CD2-CD1 4.41Å; L172-I176 HydrophobicContact CG-CD1 3.89Å; L172-I176 HydrophobicContact CG-CG1 4.45Å; L172-I176 WeakPolarHBondContact O-CG1 3.46Å; L172-I176 PolarHBondContact O-N 3.37Å; G173-I176 PolarHBondContact O-N 2.83Å; I176-S178 VanDerWaalsContact C-N 3.34Å; I176-S178 PolarHBondContact O-N 3.31Å; I176-L179 PolarHBondContact O-N 2.97Å; I176-F180 HydrophobicContact CG2-CD2 3.68Å; I176-F180 HydrophobicContact CG2-CE2 3.66Å; I176-F180 WeakPolarHBondContact O-CD2 3.27Å; I176-F180 PolarHBondContact O-N 3.21Å; I176-L214 HydrophobicContact CG2-CD1 4.09Å; I176-L217 HydrophobicContact CD1-CD2 4.39Å; I176-L217 HydrophobicContact CG1-CD2 3.71Å; I176-L221 HydrophobicContact CD1-CD1 4.32Å; I176-E229 HydrophobicContact CD1-CB 3.72Å; I176-E229 HydrophobicContact CD1-CG 3.78Å; I176-L233 HydrophobicContact CB-CD1 4.28Å; I176-L233 HydrophobicContact CG2-CD1 3.48Å; I176-L233 VanDerWaalsContact CG2-CD1 3.48Å |
| 177 | A | 91.8 | Very high | 86.7 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L111 V115 G173 D174 F180 Q181 L233 | L111-A177 HydrophobicContact CD1-CB 4.4Å; V115-A177 HydrophobicContact CG1-CB 4.41Å; G173-A177 WeakPolarHBondContact O-CB 3.33Å; G173-A177 PolarHBondContact O-N 2.91Å; D174-A177 PolarHBondContact O-N 3.27Å; A177-F180 PolarHBondContact O-N 3.08Å; A177-Q181 PolarHBondContact O-N 3.34Å; A177-L233 HydrophobicContact CB-CD2 3.9Å |
| 178 | S | 93.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 176.9 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | I107 D174 L175 I176 F180 Q181 S182 | I107-S178 VanDerWaalsContact CG2-OG 3.25Å; I107-S178 WeakPolarHBondContact CG2-OG 3.26Å; D174-S178 WeakPolarHBondContact O-CB 3.42Å; D174-S178 PolarHBondContact O-N 3.08Å; D174-S178 PolarHBondContact O-OG 3.42Å; L175-S178 PolarHBondContact O-N 3.44Å; I176-S178 VanDerWaalsContact C-N 3.34Å; I176-S178 PolarHBondContact O-N 3.31Å; S178-F180 VanDerWaalsContact C-N 3.34Å; S178-F180 PolarHBondContact O-N 3.2Å; S178-Q181 PolarHBondContact O-N 2.7Å; S178-S182 PolarHBondContact O-N 3.16Å; S178-S182 PolarHBondContact O-OG 2.88Å |
| 179 | L | 94.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.5 | -37.3 | 175 | -78.1 | 166.9 | 0 | 0 | 0 | 112.3 | I148 L175 I176 S182 A183 V213 L214 L217 | I148-L179 HydrophobicContact CD1-CD2 4.17Å; I148-L179 HydrophobicContact CD1-CG 4.32Å; I148-L179 HydrophobicContact CG2-CD2 3.76Å; I148-L179 HydrophobicContact CG2-CG 4.18Å; L175-L179 HydrophobicContact CD1-CD1 4.02Å; L175-L179 HydrophobicContact CD1-CG 4.32Å; L175-L179 HydrophobicContact CG-CD1 4.12Å; L175-L179 WeakPolarHBondContact O-CB 3.17Å; L175-L179 WeakPolarHBondContact O-CG 3.42Å; L175-L179 PolarHBondContact O-N 2.96Å; I176-L179 PolarHBondContact O-N 2.97Å; L179-S182 PolarHBondContact O-OG 2.94Å; L179-S182 VanDerWaalsContact O-OG 3.12Å; L179-A183 WeakPolarHBondContact O-CB 3.35Å; L179-A183 PolarHBondContact O-N 3.18Å; L179-V213 HydrophobicContact CD1-CG1 4.21Å; L179-V213 HydrophobicContact CD2-CB 4.21Å; L179-V213 HydrophobicContact CD2-CG1 3.92Å; L179-L214 HydrophobicContact CB-CB 4.22Å; L179-L214 HydrophobicContact CB-CD1 4.02Å; L179-L214 HydrophobicContact CD1-CB 4.49Å; L179-L214 HydrophobicContact CD1-CD1 4.36Å; L179-L217 HydrophobicContact CD1-CD2 4.09Å |
| 180 | F | 93.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.2 | -43.9 | 174.6 | -96 | -77.9 | 0 | 0 | 0 | 112.1 | I176 A177 S178 A183 F184 G185 L214 L230 L233 W253 L254 L261 | I176-F180 HydrophobicContact CG2-CD2 3.68Å; I176-F180 HydrophobicContact CG2-CE2 3.66Å; I176-F180 WeakPolarHBondContact O-CD2 3.27Å; I176-F180 PolarHBondContact O-N 3.21Å; A177-F180 PolarHBondContact O-N 3.08Å; S178-F180 VanDerWaalsContact C-N 3.34Å; S178-F180 PolarHBondContact O-N 3.2Å; F180-A183 PolarHBondContact O-N 3.39Å; F180-F184 AromaticContact CD1-CD2 3.64Å; F180-F184 HydrophobicContact CD1-CD2 3.64Å; F180-F184 AromaticContact CD1-CE2 3.99Å; F180-F184 HydrophobicContact CD1-CE2 3.99Å; F180-F184 HydrophobicContact CE1-CD2 4.05Å; F180-F184 AromaticContact CE1-CE2 3.98Å; F180-F184 HydrophobicContact CE1-CE2 3.98Å; F180-F184 PolarHBondContact O-N 2.92Å; F180-G185 PolarHBondContact O-N 3.33Å; F180-L214 HydrophobicContact CD1-CD2 4.2Å; F180-L214 HydrophobicContact CD2-CD1 4.18Å; F180-L214 HydrophobicContact CD2-CD2 4.09Å; F180-L214 HydrophobicContact CE1-CD2 4.12Å; F180-L214 HydrophobicContact CE2-CD1 4.02Å; F180-L214 HydrophobicContact CE2-CD2 4.01Å; F180-L214 HydrophobicContact CG-CD2 4.18Å; F180-L214 HydrophobicContact CZ-CD2 4.03Å; F180-L230 HydrophobicContact CE2-CD2 3.54Å; F180-L230 HydrophobicContact CZ-CD2 3.37Å; F180-L233 HydrophobicContact CD2-CD1 3.88Å; F180-L233 HydrophobicContact CE2-CD1 4.02Å; F180-W253 HydrophobicContact CB-CH2 4.49Å; F180-W253 HydrophobicContact CB-CZ3 4.46Å; F180-L254 HydrophobicContact CB-CD1 3.84Å; F180-L254 HydrophobicContact CD1-CD1 3.61Å; F180-L254 HydrophobicContact CD2-CD1 4.48Å; F180-L254 HydrophobicContact CE1-CD1 4.29Å; F180-L254 HydrophobicContact CG-CD1 3.74Å; F180-L261 HydrophobicContact CE1-CD1 3.68Å; F180-L261 HydrophobicContact CZ-CD1 3.5Å; F180-L261 VanDerWaalsContact CZ-CD1 3.5Å |
| 181 | Q | 91.8 | Very high | 85.1 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -60.9 | -45.8 | 177.8 | -174 | 68.2 | 64.3 | 0 | 0 | 111.1 | L111 E112 V115 L144 A177 S178 G185 | L111-Q181 HydrophobicContact CD2-CB 3.57Å; L111-Q181 HydrophobicContact CD2-CG 3.82Å; E112-Q181 PolarHBondContact OE1-NE2 3.34Å; V115-Q181 HydrophobicContact CG1-CB 4.42Å; L144-Q181 HydrophobicContact CD1-CB 4.49Å; L144-Q181 HydrophobicContact CD1-CG 4.11Å; A177-Q181 PolarHBondContact O-N 3.34Å; S178-Q181 PolarHBondContact O-N 2.7Å; Q181-G185 WeakPolarHBondContact O-CA 3.2Å; Q181-G185 PolarHBondContact O-N 3.32Å; Q181-G185 VanDerWaalsContact O-N 3.1Å |
| 182 | S | 90.4 | Very high | 84.1 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.007 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -72.2 | -29.7 | 178 | 65.1 | 0 | 0 | 0 | 0 | 113.1 | S178 L179 I207 S210 | S178-S182 PolarHBondContact O-N 3.16Å; S178-S182 PolarHBondContact O-OG 2.88Å; L179-S182 PolarHBondContact O-OG 2.94Å; L179-S182 VanDerWaalsContact O-OG 3.12Å; S182-I207 WeakPolarHBondContact O-CG1 3.34Å; S182-S210 WeakPolarHBondContact CB-OG 3.46Å; S182-S210 WeakPolarHBondContact OG-CB 3.44Å; S182-S210 PolarHBondContact OG-OG 3.48Å |
| 183 | A | 89.7 | Confident | 83.1 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -83 | -33.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L179 F180 I207 R211 L214 | L179-A183 WeakPolarHBondContact O-CB 3.35Å; L179-A183 PolarHBondContact O-N 3.18Å; F180-A183 PolarHBondContact O-N 3.39Å; A183-I207 WeakPolarHBondContact O-CG2 3.48Å; A183-R211 HydrophobicContact CB-CG 3.67Å; A183-R211 PolarHBondContact O-NE 3.44Å; A183-R211 PolarHBondContact O-NH2 3.06Å; A183-L214 HydrophobicContact CB-CD2 4.45Å |
| 184 | F | 88.6 | Confident | 82.2 | Confident | 42 Ų | 42 | 38.3 Ų | 38.3 | 18% | 0.184 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -136.8 | -25.6 | -169.3 | -58.2 | -75.8 | 0 | 0 | 0 | 114.9 | F180 M186 D187 R211 L214 W253 L261 | F180-F184 AromaticContact CD1-CD2 3.64Å; F180-F184 HydrophobicContact CD1-CD2 3.64Å; F180-F184 AromaticContact CD1-CE2 3.99Å; F180-F184 HydrophobicContact CD1-CE2 3.99Å; F180-F184 HydrophobicContact CE1-CD2 4.05Å; F180-F184 AromaticContact CE1-CE2 3.98Å; F180-F184 HydrophobicContact CE1-CE2 3.98Å; F180-F184 PolarHBondContact O-N 2.92Å; F184-M186 VanDerWaalsContact C-N 3.29Å; F184-M186 PolarHBondContact O-N 3.03Å; F184-D187 PolarHBondContact O-N 3.48Å; F184-R211 HydrophobicContact CE1-CG 4.36Å; F184-R211 HydrophobicContact CZ-CG 4.18Å; F184-L214 HydrophobicContact CE2-CD2 3.85Å; F184-W253 HydrophobicContact CB-CE3 3.63Å; F184-W253 HydrophobicContact CB-CZ3 3.64Å; F184-L261 HydrophobicContact CE2-CD1 4.31Å |
| 185 | G | 83.6 | Confident | 81.5 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -68 | -30 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F180 Q181 D187 S188 | F180-G185 PolarHBondContact O-N 3.33Å; Q181-G185 WeakPolarHBondContact O-CA 3.2Å; Q181-G185 PolarHBondContact O-N 3.32Å; Q181-G185 VanDerWaalsContact O-N 3.1Å; G185-D187 VanDerWaalsContact C-N 3.3Å; G185-D187 PolarHBondContact O-N 2.93Å; G185-S188 PolarHBondContact O-OG 3.42Å; G185-S188 VanDerWaalsContact O-OG 3.05Å |
| 186 | M | 76.6 | Confident | 80.9 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 4% | 0.044 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.2 | -22 | -179.9 | -75.9 | -81 | -44.9 | 0 | 0 | 115.3 | I141 F184 S188 Y189 L190 L203 I207 | I141-M186 HydrophobicContact CD1-CE 3.28Å; I141-M186 HydrophobicContact CD1-CG 3.55Å; I141-M186 HydrophobicContact CD1-SD 3.2Å; I141-M186 WeakPolarHBondContact CD1-SD 3.49Å; I141-M186 HydrophobicContact CG1-CE 4.11Å; I141-M186 HydrophobicContact CG1-CG 3.78Å; I141-M186 HydrophobicContact CG1-SD 3.35Å; I141-M186 WeakPolarHBondContact CG1-SD 3.39Å; F184-M186 VanDerWaalsContact C-N 3.29Å; F184-M186 PolarHBondContact O-N 3.03Å; M186-S188 PolarHBondContact O-N 2.88Å; M186-S188 VanDerWaalsContact O-N 3.14Å; M186-Y189 HydrophobicContact CE-CD1 3.74Å; M186-Y189 HydrophobicContact CE-CE1 4.45Å; M186-Y189 PolarHBondContact O-N 3.37Å; M186-Y189 HydrophobicContact SD-CD1 4.01Å; M186-L190 HydrophobicContact CE-CD1 4.41Å; M186-L190 HydrophobicContact CE-CD2 3.85Å; M186-L190 HydrophobicContact CE-CG 3.85Å; M186-L190 WeakPolarHBondContact O-CG 3.12Å; M186-L190 PolarHBondContact O-N 3.2Å; M186-L203 HydrophobicContact CE-CD1 4.18Å; M186-L203 HydrophobicContact CE-CD2 4.49Å; M186-I207 HydrophobicContact CB-CD1 3.9Å; M186-I207 HydrophobicContact CB-CG1 4.33Å |
| 187 | D | 71.3 | Confident | 80.1 | Confident | 66 Ų | 66 | 49.6 Ų | 49.6 | 35% | 0.353 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.2 | -26.6 | -175.5 | -76.7 | -18.4 | 0 | 0 | 0 | 111.6 | F184 G185 R191 R211 | F184-D187 PolarHBondContact O-N 3.48Å; G185-D187 VanDerWaalsContact C-N 3.3Å; G185-D187 PolarHBondContact O-N 2.93Å; D187-R191 WeakPolarHBondContact O-CG 3.49Å; D187-R211 IonicContact OD1-NH2 3.63Å; D187-R211 IonicContact OD2-NH2 3.04Å; D187-R211 PolarHBondContact OD2-NH2 3.29Å |
| 188 | S | 67.9 | Low | 79.6 | Confident | 69 Ų | 69 | 57.2 Ų | 57.2 | 48% | 0.483 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -76.9 | -43.5 | 172.7 | 68.3 | 0 | 0 | 0 | 0 | 112.3 | G185 M186 R191 S192 | G185-S188 PolarHBondContact O-OG 3.42Å; G185-S188 VanDerWaalsContact O-OG 3.05Å; M186-S188 PolarHBondContact O-N 2.88Å; M186-S188 VanDerWaalsContact O-N 3.14Å; S188-R191 PolarHBondContact O-N 3.49Å; S188-S192 PolarHBondContact O-N 3.04Å |
| 189 | Y | 69.6 | Low | 79.1 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 11% | 0.106 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.9 | -39.2 | -178.5 | -174.5 | -107.7 | 0 | 0 | 0 | 113.1 | K136 M186 R191 S192 N193 F195 | K136-Y189 PolarHBondContact O-OH 2.95Å; M186-Y189 HydrophobicContact CE-CD1 3.74Å; M186-Y189 HydrophobicContact CE-CE1 4.45Å; M186-Y189 PolarHBondContact O-N 3.37Å; M186-Y189 HydrophobicContact SD-CD1 4.01Å; Y189-R191 PolarHBondContact O-N 3.21Å; Y189-S192 PolarHBondContact O-N 3.46Å; Y189-S192 PolarHBondContact O-OG 2.92Å; Y189-S192 VanDerWaalsContact O-OG 3.07Å; Y189-N193 WeakPolarHBondContact CE2-ND2 3.41Å; Y189-N193 PolarHBondContact O-N 3.1Å; Y189-N193 PolarHBondContact OH-ND2 3.41Å; Y189-F195 HydrophobicContact CD1-CE2 4.08Å; Y189-F195 HydrophobicContact CD1-CZ 4.21Å; Y189-F195 AromaticContact CE1-CE2 3.79Å; Y189-F195 HydrophobicContact CE1-CE2 3.79Å; Y189-F195 AromaticContact CE1-CZ 3.45Å; Y189-F195 HydrophobicContact CE1-CZ 3.45Å; Y189-F195 VanDerWaalsContact CE1-CZ 3.45Å; Y189-F195 AromaticContact CZ-CZ 3.93Å |
| 190 | L | 72.2 | Confident | 78.5 | Confident | 35 Ų | 35 | 62.7 Ų | 62.7 | 18% | 0.183 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -23.4 | 175.7 | -71.5 | 173.8 | 0 | 0 | 0 | 113 | M186 F195 L203 M204 I207 | M186-L190 HydrophobicContact CE-CD1 4.41Å; M186-L190 HydrophobicContact CE-CD2 3.85Å; M186-L190 HydrophobicContact CE-CG 3.85Å; M186-L190 WeakPolarHBondContact O-CG 3.12Å; M186-L190 PolarHBondContact O-N 3.2Å; L190-F195 HydrophobicContact CD2-CD2 4.16Å; L190-F195 HydrophobicContact CD2-CE2 4.35Å; L190-L203 HydrophobicContact CD2-CB 4.44Å; L190-L203 HydrophobicContact CD2-CD1 3.87Å; L190-M204 HydrophobicContact CD1-SD 4.31Å; L190-I207 HydrophobicContact CD1-CD1 3.62Å |
| 191 | R | 67.9 | Low | 78.1 | Confident | 227 Ų | 227 | 66.4 Ų | 66.4 | 86% | 0.857 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -85.7 | -21.7 | 178 | -70.9 | 178.7 | -175.7 | -146.4 | 0.1 | 112.9 | D187 S188 Y189 | D187-R191 WeakPolarHBondContact O-CG 3.49Å; S188-R191 PolarHBondContact O-N 3.49Å; Y189-R191 PolarHBondContact O-N 3.21Å |
| 192 | S | 68.7 | Low | 77.8 | Confident | 83 Ų | 83 | 68.3 Ų | 68.3 | 58% | 0.58 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -93.7 | -19 | -174.6 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | S188 Y189 | S188-S192 PolarHBondContact O-N 3.04Å; Y189-S192 PolarHBondContact O-N 3.46Å; Y189-S192 PolarHBondContact O-OG 2.92Å; Y189-S192 VanDerWaalsContact O-OG 3.07Å |
| 193 | N | 68.7 | Low | 77.6 | Confident | 62 Ų | 62 | 68.5 Ų | 68.5 | 33% | 0.332 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -122.1 | 138.2 | -170.7 | -66.5 | 9.5 | 0 | 0 | 0 | 111.4 | Y189 F195 | Y189-N193 WeakPolarHBondContact CE2-ND2 3.41Å; Y189-N193 PolarHBondContact O-N 3.1Å; Y189-N193 PolarHBondContact OH-ND2 3.41Å; N193-F195 HydrophobicContact CB-CD2 4.02Å; N193-F195 HydrophobicContact CB-CE2 3.47Å; N193-F195 VanDerWaalsContact CB-CE2 3.47Å; N193-F195 HydrophobicContact CB-CZ 3.85Å; N193-F195 PolarHBondContact O-N 3.01Å; N193-F195 VanDerWaalsContact O-N 3.12Å |
| 194 | D | 69.7 | Low | 77.3 | Confident | 177 Ų | 177 | 71.5 Ų | 71.5 | 95% | 0.947 | 38% | 0.38 | S | S | * | . | trans | -80.4 | 88.5 | 179.1 | -69 | -31.6 | 0 | 0 | 0 | 111 | ||||
| 195 | F | 75 | Confident | 77.3 | Confident | 45 Ų | 45 | 72 Ų | 72 | 20% | 0.197 | 39% | 0.392 | C | S | . | . | trans | -91.7 | 151.1 | 174.9 | -68.7 | -68.4 | 0 | 0 | 0 | 112.5 | Y189 L190 N193 R199 V200 | Y189-F195 HydrophobicContact CD1-CE2 4.08Å; Y189-F195 HydrophobicContact CD1-CZ 4.21Å; Y189-F195 AromaticContact CE1-CE2 3.79Å; Y189-F195 HydrophobicContact CE1-CE2 3.79Å; Y189-F195 AromaticContact CE1-CZ 3.45Å; Y189-F195 HydrophobicContact CE1-CZ 3.45Å; Y189-F195 VanDerWaalsContact CE1-CZ 3.45Å; Y189-F195 AromaticContact CZ-CZ 3.93Å; L190-F195 HydrophobicContact CD2-CD2 4.16Å; L190-F195 HydrophobicContact CD2-CE2 4.35Å; N193-F195 HydrophobicContact CB-CD2 4.02Å; N193-F195 HydrophobicContact CB-CE2 3.47Å; N193-F195 VanDerWaalsContact CB-CE2 3.47Å; N193-F195 HydrophobicContact CB-CZ 3.85Å; N193-F195 PolarHBondContact O-N 3.01Å; N193-F195 VanDerWaalsContact O-N 3.12Å; F195-R199 HydrophobicContact CD1-CG 4.04Å; F195-V200 HydrophobicContact CB-CG2 3.64Å | ||
| 196 | T | 80.1 | Confident | 77.5 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 53% | 0.534 | 40% | 0.404 | S | S | . | . | trans | -63.7 | 147.3 | 169.2 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | E198 R199 V200 | T196-E198 PolarHBondContact O-N 2.94Å; T196-E198 VanDerWaalsContact O-N 3.16Å; T196-R199 PolarHBondContact O-N 2.95Å; T196-R199 VanDerWaalsContact OG1-CB 3.32Å; T196-R199 WeakPolarHBondContact OG1-CB 3.33Å; T196-R199 PolarHBondContact OG1-N 2.67Å; T196-V200 WeakPolarHBondContact O-CG2 3.19Å; T196-V200 PolarHBondContact O-N 3.26Å | ||
| 197 | P | 78.2 | Confident | 78.1 | Confident | 105 Ų | 105 | 74.6 Ų | 74.6 | 68% | 0.682 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.6 | -30.2 | -178.4 | 22.4 | -33.4 | 0 | 0 | 0 | 113.1 | S201 | P197-S201 WeakPolarHBondContact O-CB 3.33Å; P197-S201 PolarHBondContact O-N 3.15Å; P197-S201 PolarHBondContact O-OG 3.43Å |
| 198 | E | 81.4 | Confident | 78.9 | Confident | 161 Ų | 161 | 78.2 Ų | 78.2 | 75% | 0.752 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.9 | -45.8 | 173.9 | -66 | -179.6 | -179.8 | 0 | 0 | 111.7 | T196 S201 S202 | T196-E198 PolarHBondContact O-N 2.94Å; T196-E198 VanDerWaalsContact O-N 3.16Å; E198-S201 WeakPolarHBondContact O-CB 3.23Å; E198-S201 PolarHBondContact O-N 3.47Å; E198-S201 VanDerWaalsContact O-N 3.16Å; E198-S202 PolarHBondContact O-N 3.36Å |
| 199 | R | 82.7 | Confident | 80 | Confident | 62 Ų | 62 | 78.7 Ų | 78.7 | 23% | 0.234 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65 | -39.8 | 176.4 | -172.2 | 66.2 | 174.1 | 168.3 | 5.4 | 111.5 | E138 E142 F195 T196 S201 S202 L203 | E138-R199 PolarHBondContact O-NH2 3.25Å; E142-R199 VanDerWaalsContact CD-NH2 3.31Å; E142-R199 IonicContact OE1-CZ 3.41Å; E142-R199 IonicContact OE1-NH1 2.67Å; E142-R199 PolarHBondContact OE1-NH1 2.97Å; E142-R199 IonicContact OE1-NH2 3.33Å; E142-R199 PolarHBondContact OE1-NH2 3.11Å; E142-R199 IonicContact OE2-CZ 3.62Å; E142-R199 IonicContact OE2-NH1 3.55Å; E142-R199 IonicContact OE2-NH2 2.76Å; E142-R199 PolarHBondContact OE2-NH2 3.41Å; F195-R199 HydrophobicContact CD1-CG 4.04Å; T196-R199 PolarHBondContact O-N 2.95Å; T196-R199 VanDerWaalsContact OG1-CB 3.32Å; T196-R199 WeakPolarHBondContact OG1-CB 3.33Å; T196-R199 PolarHBondContact OG1-N 2.67Å; R199-S201 VanDerWaalsContact C-N 3.28Å; R199-S201 PolarHBondContact O-N 3.07Å; R199-S202 PolarHBondContact O-N 3.48Å; R199-S202 PolarHBondContact O-OG 3.28Å; R199-L203 HydrophobicContact CG-CD1 4.04Å; R199-L203 HydrophobicContact CG-CG 4.46Å; R199-L203 WeakPolarHBondContact O-CB 3.37Å; R199-L203 WeakPolarHBondContact O-CG 3.42Å; R199-L203 PolarHBondContact O-N 2.85Å |
| 200 | V | 82 | Confident | 81.1 | Confident | 53 Ų | 53 | 77.4 Ų | 77.4 | 32% | 0.321 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 173 | 177 | 0 | 0 | 0 | 0 | 110.6 | F195 T196 L203 M204 | F195-V200 HydrophobicContact CB-CG2 3.64Å; T196-V200 WeakPolarHBondContact O-CG2 3.19Å; T196-V200 PolarHBondContact O-N 3.26Å; V200-L203 PolarHBondContact O-N 3.44Å; V200-M204 HydrophobicContact CG1-CG 4.14Å; V200-M204 VanDerWaalsContact O-CB 3.27Å; V200-M204 WeakPolarHBondContact O-CB 3.41Å; V200-M204 WeakPolarHBondContact O-CG 3.37Å; V200-M204 PolarHBondContact O-N 3.08Å |
| 201 | S | 84.5 | Confident | 82 | Confident | 78 Ų | 78 | 80 Ų | 80 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 179.5 | -63 | 0 | 0 | 0 | 0 | 112.5 | P197 E198 R199 M204 A205 | P197-S201 WeakPolarHBondContact O-CB 3.33Å; P197-S201 PolarHBondContact O-N 3.15Å; P197-S201 PolarHBondContact O-OG 3.43Å; E198-S201 WeakPolarHBondContact O-CB 3.23Å; E198-S201 PolarHBondContact O-N 3.47Å; E198-S201 VanDerWaalsContact O-N 3.16Å; R199-S201 VanDerWaalsContact C-N 3.28Å; R199-S201 PolarHBondContact O-N 3.07Å; S201-M204 PolarHBondContact O-N 3.28Å; S201-A205 PolarHBondContact O-N 2.88Å; S201-A205 VanDerWaalsContact O-N 3.09Å |
| 202 | S | 85.4 | Confident | 83.2 | Confident | 44 Ų | 44 | 76.8 Ų | 76.8 | 31% | 0.308 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.1 | -44 | 176.2 | 67.6 | 0 | 0 | 0 | 0 | 112.1 | E198 R199 M204 A205 Y206 | E198-S202 PolarHBondContact O-N 3.36Å; R199-S202 PolarHBondContact O-N 3.48Å; R199-S202 PolarHBondContact O-OG 3.28Å; S202-M204 VanDerWaalsContact C-N 3.32Å; S202-M204 PolarHBondContact O-N 3.46Å; S202-A205 VanDerWaalsContact O-CB 3.3Å; S202-A205 WeakPolarHBondContact O-CB 3.27Å; S202-A205 PolarHBondContact O-N 3.23Å; S202-A205 VanDerWaalsContact O-N 3.09Å; S202-Y206 WeakPolarHBondContact O-CD2 3.29Å; S202-Y206 PolarHBondContact O-N 3.45Å |
| 203 | L | 85.2 | Confident | 84.4 | Confident | 5 Ų | 5 | 74.5 Ų | 74.5 | 3% | 0.026 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63 | -39.1 | 175.9 | -63.8 | 169.7 | 0 | 0 | 0 | 111.5 | I141 M186 L190 R199 V200 A205 Y206 I207 | I141-L203 HydrophobicContact CB-CD2 4.46Å; I141-L203 HydrophobicContact CD1-CB 4.22Å; I141-L203 HydrophobicContact CD1-CD2 3.55Å; I141-L203 HydrophobicContact CD1-CG 4.41Å; I141-L203 HydrophobicContact CG1-CD2 4.47Å; M186-L203 HydrophobicContact CE-CD1 4.18Å; M186-L203 HydrophobicContact CE-CD2 4.49Å; L190-L203 HydrophobicContact CD2-CB 4.44Å; L190-L203 HydrophobicContact CD2-CD1 3.87Å; R199-L203 HydrophobicContact CG-CD1 4.04Å; R199-L203 HydrophobicContact CG-CG 4.46Å; R199-L203 WeakPolarHBondContact O-CB 3.37Å; R199-L203 WeakPolarHBondContact O-CG 3.42Å; R199-L203 PolarHBondContact O-N 2.85Å; V200-L203 PolarHBondContact O-N 3.44Å; L203-A205 VanDerWaalsContact C-N 3.27Å; L203-A205 PolarHBondContact O-N 2.93Å; L203-Y206 PolarHBondContact O-N 3.01Å; L203-I207 WeakPolarHBondContact O-CG1 3.3Å; L203-I207 PolarHBondContact O-N 3.39Å |
| 204 | M | 84.5 | Confident | 85.6 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 31% | 0.31 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.4 | -30 | 174.7 | -74.4 | -70.7 | -85.3 | 0 | 0 | 112.7 | L190 V200 S201 S202 I207 R208 | L190-M204 HydrophobicContact CD1-SD 4.31Å; V200-M204 HydrophobicContact CG1-CG 4.14Å; V200-M204 VanDerWaalsContact O-CB 3.27Å; V200-M204 WeakPolarHBondContact O-CB 3.41Å; V200-M204 WeakPolarHBondContact O-CG 3.37Å; V200-M204 PolarHBondContact O-N 3.08Å; S201-M204 PolarHBondContact O-N 3.28Å; S202-M204 VanDerWaalsContact C-N 3.32Å; S202-M204 PolarHBondContact O-N 3.46Å; M204-I207 HydrophobicContact SD-CD1 4.07Å; M204-R208 VanDerWaalsContact O-CG 3.28Å; M204-R208 WeakPolarHBondContact O-CG 3.32Å; M204-R208 PolarHBondContact O-N 3.36Å; M204-R208 VanDerWaalsContact O-N 3.08Å |
| 205 | A | 87.9 | Confident | 86.7 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 44% | 0.438 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | S201 S202 L203 I207 R208 E209 | S201-A205 PolarHBondContact O-N 2.88Å; S201-A205 VanDerWaalsContact O-N 3.09Å; S202-A205 VanDerWaalsContact O-CB 3.3Å; S202-A205 WeakPolarHBondContact O-CB 3.27Å; S202-A205 PolarHBondContact O-N 3.23Å; S202-A205 VanDerWaalsContact O-N 3.09Å; L203-A205 VanDerWaalsContact C-N 3.27Å; L203-A205 PolarHBondContact O-N 2.93Å; A205-I207 PolarHBondContact O-N 3.42Å; A205-R208 PolarHBondContact O-N 3.14Å; A205-E209 WeakPolarHBondContact O-CB 3.4Å; A205-E209 PolarHBondContact O-N 3Å |
| 206 | Y | 88.1 | Confident | 87.5 | Confident | 62 Ų | 62 | 68.8 Ų | 68.8 | 24% | 0.243 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 176.1 | -70.3 | -62.6 | 0 | 0 | 0 | 113.3 | I141 E142 M145 S202 L203 E209 S210 | I141-Y206 HydrophobicContact CG2-CD2 4.14Å; I141-Y206 HydrophobicContact CG2-CG 3.86Å; E142-Y206 HydrophobicContact CG-CE2 3.87Å; M145-Y206 HydrophobicContact CB-CD1 4.33Å; M145-Y206 HydrophobicContact CB-CE1 4.37Å; M145-Y206 HydrophobicContact CE-CD1 4.29Å; M145-Y206 HydrophobicContact CG-CD1 3.76Å; M145-Y206 HydrophobicContact CG-CE1 4.29Å; M145-Y206 HydrophobicContact CG-CG 4.32Å; S202-Y206 WeakPolarHBondContact O-CD2 3.29Å; S202-Y206 PolarHBondContact O-N 3.45Å; L203-Y206 PolarHBondContact O-N 3.01Å; Y206-E209 PolarHBondContact O-N 2.89Å; Y206-S210 VanDerWaalsContact O-CB 3.28Å; Y206-S210 WeakPolarHBondContact O-CB 3.49Å; Y206-S210 PolarHBondContact O-N 2.98Å; Y206-S210 PolarHBondContact O-OG 3.25Å |
| 207 | I | 88.9 | Confident | 88.1 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 176.2 | -70.1 | 166.2 | 0 | 0 | 0 | 110.4 | S182 A183 M186 L190 L203 M204 A205 S210 R211 | S182-I207 WeakPolarHBondContact O-CG1 3.34Å; A183-I207 WeakPolarHBondContact O-CG2 3.48Å; M186-I207 HydrophobicContact CB-CD1 3.9Å; M186-I207 HydrophobicContact CB-CG1 4.33Å; L190-I207 HydrophobicContact CD1-CD1 3.62Å; L203-I207 WeakPolarHBondContact O-CG1 3.3Å; L203-I207 PolarHBondContact O-N 3.39Å; M204-I207 HydrophobicContact SD-CD1 4.07Å; A205-I207 PolarHBondContact O-N 3.42Å; I207-S210 PolarHBondContact O-N 3.33Å; I207-R211 WeakPolarHBondContact O-CG 3.38Å; I207-R211 PolarHBondContact O-N 3.09Å |
| 208 | R | 88.4 | Confident | 88.7 | Confident | 143 Ų | 143 | 59.9 Ų | 59.9 | 54% | 0.54 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 178.4 | -72.2 | 176.7 | -171.8 | 124.8 | -3.6 | 111.7 | M204 A205 R211 K212 | M204-R208 VanDerWaalsContact O-CG 3.28Å; M204-R208 WeakPolarHBondContact O-CG 3.32Å; M204-R208 PolarHBondContact O-N 3.36Å; M204-R208 VanDerWaalsContact O-N 3.08Å; A205-R208 PolarHBondContact O-N 3.14Å; R208-R211 PolarHBondContact O-N 3.07Å; R208-K212 WeakPolarHBondContact O-CG 3.3Å; R208-K212 PolarHBondContact O-N 3.43Å |
| 209 | E | 91.6 | Very high | 89.1 | Confident | 79 Ų | 79 | 55.7 Ų | 55.7 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.6 | -50 | 175 | -172 | -179.4 | -179.6 | 0 | 0 | 110.4 | M145 A205 Y206 R211 K212 V213 | M145-E209 HydrophobicContact CE-CG 4.43Å; A205-E209 WeakPolarHBondContact O-CB 3.4Å; A205-E209 PolarHBondContact O-N 3Å; Y206-E209 PolarHBondContact O-N 2.89Å; E209-R211 PolarHBondContact O-N 3.45Å; E209-K212 WeakPolarHBondContact O-CB 3.38Å; E209-K212 PolarHBondContact O-N 2.98Å; E209-K212 VanDerWaalsContact O-N 3.13Å; E209-V213 HydrophobicContact CG-CG2 4.33Å; E209-V213 WeakPolarHBondContact O-CB 3.31Å; E209-V213 VanDerWaalsContact O-CG2 3.31Å; E209-V213 WeakPolarHBondContact O-CG2 3.39Å; E209-V213 PolarHBondContact O-N 3.32Å |
| 210 | S | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 178.4 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | M145 S182 Y206 I207 K212 V213 L214 | M145-S210 PolarHBondContact SD-OG 3.24Å; M145-S210 VanDerWaalsContact SD-OG 3.34Å; S182-S210 WeakPolarHBondContact CB-OG 3.46Å; S182-S210 WeakPolarHBondContact OG-CB 3.44Å; S182-S210 PolarHBondContact OG-OG 3.48Å; Y206-S210 VanDerWaalsContact O-CB 3.28Å; Y206-S210 WeakPolarHBondContact O-CB 3.49Å; Y206-S210 PolarHBondContact O-N 2.98Å; Y206-S210 PolarHBondContact O-OG 3.25Å; I207-S210 PolarHBondContact O-N 3.33Å; S210-K212 PolarHBondContact O-N 3.19Å; S210-V213 PolarHBondContact O-N 3.33Å; S210-L214 WeakPolarHBondContact O-CB 3.25Å; S210-L214 PolarHBondContact O-N 2.69Å |
| 211 | R | 92.4 | Very high | 89.5 | Confident | 90 Ų | 90 | 56 Ų | 56 | 34% | 0.34 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 175.6 | -74.8 | 175.9 | -176.5 | 176.1 | 4.1 | 112.1 | A183 F184 D187 I207 R208 E209 W215 | A183-R211 HydrophobicContact CB-CG 3.67Å; A183-R211 PolarHBondContact O-NE 3.44Å; A183-R211 PolarHBondContact O-NH2 3.06Å; F184-R211 HydrophobicContact CE1-CG 4.36Å; F184-R211 HydrophobicContact CZ-CG 4.18Å; D187-R211 IonicContact OD1-NH2 3.63Å; D187-R211 IonicContact OD2-NH2 3.04Å; D187-R211 PolarHBondContact OD2-NH2 3.29Å; I207-R211 WeakPolarHBondContact O-CG 3.38Å; I207-R211 PolarHBondContact O-N 3.09Å; R208-R211 PolarHBondContact O-N 3.07Å; E209-R211 PolarHBondContact O-N 3.45Å; R211-W215 WeakPolarHBondContact O-CB 3.47Å; R211-W215 PolarHBondContact O-N 3.4Å |
| 212 | K | 92.2 | Very high | 89.6 | Confident | 158 Ų | 158 | 55.4 Ų | 55.4 | 69% | 0.687 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.1 | -49.2 | 177.9 | -75.1 | 177.1 | -180 | -176.4 | 0 | 111.1 | R208 E209 S210 W215 K216 | R208-K212 WeakPolarHBondContact O-CG 3.3Å; R208-K212 PolarHBondContact O-N 3.43Å; E209-K212 WeakPolarHBondContact O-CB 3.38Å; E209-K212 PolarHBondContact O-N 2.98Å; E209-K212 VanDerWaalsContact O-N 3.13Å; S210-K212 PolarHBondContact O-N 3.19Å; K212-W215 PolarHBondContact O-N 3.06Å; K212-K216 WeakPolarHBondContact O-CB 2.98Å; K212-K216 PolarHBondContact O-N 3.34Å |
| 213 | V | 93.5 | Very high | 89.8 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 21% | 0.212 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 179.9 | 173 | 0 | 0 | 0 | 0 | 110.8 | L152 L179 E209 S210 W215 K216 L217 | L152-V213 HydrophobicContact CD1-CG1 3.68Å; L152-V213 HydrophobicContact CD2-CG1 4.13Å; L179-V213 HydrophobicContact CD1-CG1 4.21Å; L179-V213 HydrophobicContact CD2-CB 4.21Å; L179-V213 HydrophobicContact CD2-CG1 3.92Å; E209-V213 HydrophobicContact CG-CG2 4.33Å; E209-V213 WeakPolarHBondContact O-CB 3.31Å; E209-V213 VanDerWaalsContact O-CG2 3.31Å; E209-V213 WeakPolarHBondContact O-CG2 3.39Å; E209-V213 PolarHBondContact O-N 3.32Å; S210-V213 PolarHBondContact O-N 3.33Å; V213-W215 PolarHBondContact O-N 3.06Å; V213-K216 PolarHBondContact O-N 3.16Å; V213-L217 VanDerWaalsContact O-CB 3.25Å; V213-L217 WeakPolarHBondContact O-CB 3.37Å; V213-L217 PolarHBondContact O-N 3.01Å |
| 214 | L | 94.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 176.6 | 177.8 | 61.7 | 0 | 0 | 0 | 111.6 | I176 L179 F180 A183 F184 S210 L217 L218 L261 | I176-L214 HydrophobicContact CG2-CD1 4.09Å; L179-L214 HydrophobicContact CB-CB 4.22Å; L179-L214 HydrophobicContact CB-CD1 4.02Å; L179-L214 HydrophobicContact CD1-CB 4.49Å; L179-L214 HydrophobicContact CD1-CD1 4.36Å; F180-L214 HydrophobicContact CD1-CD2 4.2Å; F180-L214 HydrophobicContact CD2-CD1 4.18Å; F180-L214 HydrophobicContact CD2-CD2 4.09Å; F180-L214 HydrophobicContact CE1-CD2 4.12Å; F180-L214 HydrophobicContact CE2-CD1 4.02Å; F180-L214 HydrophobicContact CE2-CD2 4.01Å; F180-L214 HydrophobicContact CG-CD2 4.18Å; F180-L214 HydrophobicContact CZ-CD2 4.03Å; A183-L214 HydrophobicContact CB-CD2 4.45Å; F184-L214 HydrophobicContact CE2-CD2 3.85Å; S210-L214 WeakPolarHBondContact O-CB 3.25Å; S210-L214 PolarHBondContact O-N 2.69Å; L214-L217 PolarHBondContact O-N 3.41Å; L214-L218 HydrophobicContact CD1-CD1 4.14Å; L214-L218 HydrophobicContact CD1-CG 4.29Å; L214-L218 HydrophobicContact CG-CD1 4.17Å; L214-L218 VanDerWaalsContact O-CG 3.31Å; L214-L218 WeakPolarHBondContact O-CG 3.41Å; L214-L218 PolarHBondContact O-N 3.47Å; L214-L261 HydrophobicContact CD2-CD1 4.23Å |
| 215 | W | 93.3 | Very high | 89.9 | Confident | 50 Ų | 50 | 56.4 Ų | 56.4 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 179.7 | -173.2 | -115.2 | 0 | 0 | 0 | 111.8 | R211 K212 V213 L217 L218 L219 L261 R264 L265 H268 | R211-W215 WeakPolarHBondContact O-CB 3.47Å; R211-W215 PolarHBondContact O-N 3.4Å; K212-W215 PolarHBondContact O-N 3.06Å; V213-W215 PolarHBondContact O-N 3.06Å; W215-L217 PolarHBondContact O-N 3.05Å; W215-L218 HydrophobicContact CE3-CD1 4.47Å; W215-L218 PolarHBondContact O-N 3.18Å; W215-L219 HydrophobicContact CD2-CG 4.49Å; W215-L219 HydrophobicContact CZ2-CD1 4.45Å; W215-L219 HydrophobicContact CZ2-CD2 4.05Å; W215-L219 HydrophobicContact CZ2-CG 4.38Å; W215-L219 WeakPolarHBondContact O-CG 3.16Å; W215-L219 PolarHBondContact O-N 2.97Å; W215-L219 VanDerWaalsContact O-N 3.08Å; W215-L261 HydrophobicContact CE3-CD2 3.65Å; W215-L261 HydrophobicContact CZ3-CD2 3.68Å; W215-R264 HydrophobicContact CH2-CB 3.88Å; W215-R264 HydrophobicContact CZ3-CB 4.39Å; W215-L265 HydrophobicContact CH2-CD2 3.9Å; W215-L265 HydrophobicContact CH2-CG 4.13Å; W215-L265 HydrophobicContact CZ3-CD2 4.09Å; W215-L265 HydrophobicContact CZ3-CG 4.1Å; W215-H268 AromaticContact CZ2-CD2 3.85Å |
| 216 | K | 92.4 | Very high | 90 | Very high | 111 Ų | 111 | 53.9 Ų | 53.9 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.1 | -47.9 | 175.1 | -169.4 | -169.7 | -177.4 | -127.7 | 0 | 111.2 | K212 V213 L218 L219 E220 | K212-K216 WeakPolarHBondContact O-CB 2.98Å; K212-K216 PolarHBondContact O-N 3.34Å; V213-K216 PolarHBondContact O-N 3.16Å; K216-L218 PolarHBondContact O-N 3.39Å; K216-L219 PolarHBondContact O-N 2.9Å; K216-L219 VanDerWaalsContact O-N 3.15Å; K216-E220 WeakPolarHBondContact CE-OE1 3.26Å; K216-E220 WeakPolarHBondContact CG-OE1 3.17Å; K216-E220 IonicContact NZ-OE1 3.38Å; K216-E220 PolarHBondContact NZ-OE1 3.18Å; K216-E220 WeakPolarHBondContact O-CG 3.45Å; K216-E220 PolarHBondContact O-N 3.08Å |
| 217 | L | 92.2 | Very high | 90.2 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -43.9 | 179 | -169.7 | 91.1 | 0 | 0 | 0 | 111.8 | L152 K155 L172 L175 I176 L179 V213 L214 W215 L219 E220 L221 | L152-L217 HydrophobicContact CD2-CD1 4.05Å; K155-L217 HydrophobicContact CD-CD1 3.76Å; L172-L217 HydrophobicContact CD1-CD2 4.37Å; L175-L217 HydrophobicContact CD2-CD1 4.24Å; L175-L217 HydrophobicContact CD2-CD2 4.28Å; I176-L217 HydrophobicContact CD1-CD2 4.39Å; I176-L217 HydrophobicContact CG1-CD2 3.71Å; L179-L217 HydrophobicContact CD1-CD2 4.09Å; V213-L217 VanDerWaalsContact O-CB 3.25Å; V213-L217 WeakPolarHBondContact O-CB 3.37Å; V213-L217 PolarHBondContact O-N 3.01Å; L214-L217 PolarHBondContact O-N 3.41Å; W215-L217 PolarHBondContact O-N 3.05Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 3.09Å; L217-E220 PolarHBondContact O-N 3.45Å; L217-L221 HydrophobicContact CG-CD1 4.48Å; L217-L221 VanDerWaalsContact O-CG 3.26Å; L217-L221 WeakPolarHBondContact O-CG 3.5Å; L217-L221 PolarHBondContact O-N 3.15Å |
| 218 | L | 91.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.7 | -30.7 | 178.4 | -70.2 | 171.9 | 0 | 0 | 0 | 112.6 | L214 W215 K216 A226 L230 L261 | L214-L218 HydrophobicContact CD1-CD1 4.14Å; L214-L218 HydrophobicContact CD1-CG 4.29Å; L214-L218 HydrophobicContact CG-CD1 4.17Å; L214-L218 VanDerWaalsContact O-CG 3.31Å; L214-L218 WeakPolarHBondContact O-CG 3.41Å; L214-L218 PolarHBondContact O-N 3.47Å; W215-L218 HydrophobicContact CE3-CD1 4.47Å; W215-L218 PolarHBondContact O-N 3.18Å; K216-L218 PolarHBondContact O-N 3.39Å; L218-A226 HydrophobicContact CB-CB 4.47Å; L218-A226 HydrophobicContact CD2-CB 3.94Å; L218-A226 WeakPolarHBondContact O-CB 3.37Å; L218-L230 HydrophobicContact CD1-CD1 4.49Å; L218-L230 HydrophobicContact CD1-CD2 4.33Å; L218-L230 HydrophobicContact CD2-CD2 4.44Å; L218-L230 HydrophobicContact CD2-CG 4.38Å; L218-L261 HydrophobicContact CD1-CD1 4.23Å |
| 219 | L | 88.6 | Confident | 90 | Very high | 73 Ų | 73 | 46.8 Ų | 46.8 | 38% | 0.382 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -77.6 | -32.5 | 175.8 | -70.5 | 178.8 | 0 | 0 | 0 | 113.2 | W215 K216 L217 L221 L265 | W215-L219 HydrophobicContact CD2-CG 4.49Å; W215-L219 HydrophobicContact CZ2-CD1 4.45Å; W215-L219 HydrophobicContact CZ2-CD2 4.05Å; W215-L219 HydrophobicContact CZ2-CG 4.38Å; W215-L219 WeakPolarHBondContact O-CG 3.16Å; W215-L219 PolarHBondContact O-N 2.97Å; W215-L219 VanDerWaalsContact O-N 3.08Å; K216-L219 PolarHBondContact O-N 2.9Å; K216-L219 VanDerWaalsContact O-N 3.15Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 3.09Å; L219-L221 VanDerWaalsContact C-N 3.34Å; L219-L265 HydrophobicContact CD2-CD2 4.16Å |
| 220 | E | 88 | Confident | 90 | Very high | 103 Ų | 103 | 43 Ų | 43 | 48% | 0.481 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -74.2 | -25.4 | 176.8 | -73 | 172 | -179.1 | 0 | 0 | 112.6 | K216 L217 | K216-E220 WeakPolarHBondContact CE-OE1 3.26Å; K216-E220 WeakPolarHBondContact CG-OE1 3.17Å; K216-E220 IonicContact NZ-OE1 3.38Å; K216-E220 PolarHBondContact NZ-OE1 3.18Å; K216-E220 WeakPolarHBondContact O-CG 3.45Å; K216-E220 PolarHBondContact O-N 3.08Å; L217-E220 PolarHBondContact O-N 3.45Å |
| 221 | L | 86.5 | Confident | 89.8 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 11% | 0.105 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -76 | 148.7 | 177.2 | -72.3 | 168.7 | 0 | 0 | 0 | 111.5 | L172 I176 L217 L219 R223 A226 | L172-L221 HydrophobicContact CD1-CD1 4.37Å; L172-L221 HydrophobicContact CD2-CD1 3.98Å; L172-L221 HydrophobicContact CD2-CD2 3.86Å; I176-L221 HydrophobicContact CD1-CD1 4.32Å; L217-L221 HydrophobicContact CG-CD1 4.48Å; L217-L221 VanDerWaalsContact O-CG 3.26Å; L217-L221 WeakPolarHBondContact O-CG 3.5Å; L217-L221 PolarHBondContact O-N 3.15Å; L219-L221 VanDerWaalsContact C-N 3.34Å; L221-R223 PolarHBondContact O-N 2.86Å; L221-A226 HydrophobicContact CB-CB 4.2Å |
| 222 | P | 86.4 | Confident | 89.4 | Confident | 65 Ų | 65 | 42.9 Ų | 42.9 | 42% | 0.422 | 21% | 0.205 | S | C | . | . | trans | -51.5 | 128 | 165.3 | -25.3 | 34.4 | 0 | 0 | 0 | 110 | H224 I225 A226 | P222-H224 VanDerWaalsContact C-N 3.27Å; P222-H224 PolarHBondContact O-N 3.23Å; P222-H224 VanDerWaalsContact O-N 3.13Å; P222-I225 HydrophobicContact CB-CB 4.42Å; P222-I225 HydrophobicContact CB-CD1 3.77Å; P222-I225 HydrophobicContact CB-CG1 4.03Å; P222-I225 HydrophobicContact CG-CD1 3.66Å; P222-I225 HydrophobicContact CG-CG1 4.44Å; P222-I225 WeakPolarHBondContact O-CA 3.34Å; P222-I225 VanDerWaalsContact O-CB 3.29Å; P222-I225 WeakPolarHBondContact O-CB 3.45Å; P222-I225 PolarHBondContact O-N 3.16Å; P222-A226 PolarHBondContact O-N 3.23Å | ||
| 223 | R | 88 | Confident | 89 | Confident | 28 Ų | 28 | 36 Ų | 36 | 11% | 0.106 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.7 | -36.8 | -166.1 | -174.6 | 175.5 | -66.8 | -168.3 | -13.5 | 114 | L221 I225 A226 M227 H268 S290 | L221-R223 PolarHBondContact O-N 2.86Å; R223-I225 VanDerWaalsContact C-N 3.3Å; R223-I225 PolarHBondContact O-N 3.41Å; R223-A226 PolarHBondContact O-N 3.21Å; R223-M227 HydrophobicContact CG-CE 3.91Å; R223-M227 HydrophobicContact CG-SD 4.23Å; R223-M227 WeakPolarHBondContact O-CB 3.33Å; R223-M227 WeakPolarHBondContact O-CG 3.39Å; R223-M227 PolarHBondContact O-N 3.14Å; R223-H268 PolarHBondContact NH1-O 3.16Å; R223-H268 PolarHBondContact NH2-O 3.05Å; R223-S290 WeakPolarHBondContact CB-OG 3.26Å |
| 224 | H | 85.8 | Confident | 88.6 | Confident | 75 Ų | 75 | 37.3 Ų | 37.3 | 35% | 0.347 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65 | -33.4 | 175.7 | 62.2 | -86.4 | 0 | 0 | 0 | 112.3 | P222 K228 S290 L293 A294 | P222-H224 VanDerWaalsContact C-N 3.27Å; P222-H224 PolarHBondContact O-N 3.23Å; P222-H224 VanDerWaalsContact O-N 3.13Å; H224-K228 VanDerWaalsContact O-CB 3.24Å; H224-K228 WeakPolarHBondContact O-CB 3.24Å; H224-K228 PolarHBondContact O-N 3.18Å; H224-S290 WeakPolarHBondContact CB-O 3.35Å; H224-L293 HydrophobicContact CB-CB 3.87Å; H224-L293 HydrophobicContact CB-CD1 4.43Å; H224-A294 VanDerWaalsContact O-CB 3.24Å; H224-A294 WeakPolarHBondContact O-CB 3.29Å |
| 225 | I | 87.1 | Confident | 87.5 | Confident | 30 Ų | 30 | 38.4 Ų | 38.4 | 15% | 0.154 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.8 | -47.3 | 174.5 | -60.1 | 176.6 | 0 | 0 | 0 | 109.8 | T168 L172 P222 R223 M227 K228 E229 | T168-I225 HydrophobicContact CG2-CB 4.43Å; T168-I225 HydrophobicContact CG2-CD1 3.91Å; T168-I225 HydrophobicContact CG2-CG1 4.43Å; T168-I225 HydrophobicContact CG2-CG2 3.26Å; L172-I225 HydrophobicContact CD2-CG2 4.4Å; P222-I225 HydrophobicContact CB-CB 4.42Å; P222-I225 HydrophobicContact CB-CD1 3.77Å; P222-I225 HydrophobicContact CB-CG1 4.03Å; P222-I225 HydrophobicContact CG-CD1 3.66Å; P222-I225 HydrophobicContact CG-CG1 4.44Å; P222-I225 WeakPolarHBondContact O-CA 3.34Å; P222-I225 VanDerWaalsContact O-CB 3.29Å; P222-I225 WeakPolarHBondContact O-CB 3.45Å; P222-I225 PolarHBondContact O-N 3.16Å; R223-I225 VanDerWaalsContact C-N 3.3Å; R223-I225 PolarHBondContact O-N 3.41Å; I225-M227 VanDerWaalsContact C-N 3.3Å; I225-M227 PolarHBondContact O-N 2.84Å; I225-K228 WeakPolarHBondContact O-CB 3.48Å; I225-K228 PolarHBondContact O-N 2.93Å; I225-K228 VanDerWaalsContact O-N 3.1Å; I225-E229 WeakPolarHBondContact O-CG 3.48Å; I225-E229 PolarHBondContact O-N 3.07Å |
| 226 | A | 90 | Very high | 85.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.1 | -46.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L218 L221 P222 R223 E229 L230 L265 | L218-A226 HydrophobicContact CB-CB 4.47Å; L218-A226 HydrophobicContact CD2-CB 3.94Å; L218-A226 WeakPolarHBondContact O-CB 3.37Å; L221-A226 HydrophobicContact CB-CB 4.2Å; P222-A226 PolarHBondContact O-N 3.23Å; R223-A226 PolarHBondContact O-N 3.21Å; A226-E229 PolarHBondContact O-N 2.94Å; A226-L230 VanDerWaalsContact O-CG 3.29Å; A226-L230 WeakPolarHBondContact O-CG 3.41Å; A226-L230 PolarHBondContact O-N 3.44Å; A226-L230 VanDerWaalsContact O-N 3.12Å; A226-L265 HydrophobicContact CB-CD1 4.21Å |
| 227 | M | 91.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -39.5 | 175.8 | -70.6 | 177.8 | 172.8 | 0 | 0 | 112.4 | R223 I225 L230 M231 L265 L266 L291 A294 | R223-M227 HydrophobicContact CG-CE 3.91Å; R223-M227 HydrophobicContact CG-SD 4.23Å; R223-M227 WeakPolarHBondContact O-CB 3.33Å; R223-M227 WeakPolarHBondContact O-CG 3.39Å; R223-M227 PolarHBondContact O-N 3.14Å; I225-M227 VanDerWaalsContact C-N 3.3Å; I225-M227 PolarHBondContact O-N 2.84Å; M227-L230 PolarHBondContact O-N 3.42Å; M227-M231 VanDerWaalsContact O-CG 3.26Å; M227-M231 WeakPolarHBondContact O-CG 3.32Å; M227-M231 PolarHBondContact O-N 3.49Å; M227-L265 HydrophobicContact CE-CB 3.62Å; M227-L265 HydrophobicContact CG-CD1 4.36Å; M227-L266 HydrophobicContact CE-CD1 4.5Å; M227-L291 VanDerWaalsContact SD-CA 3.53Å; M227-L291 HydrophobicContact SD-CB 3.78Å; M227-L291 HydrophobicContact SD-CD1 4.37Å; M227-L291 PolarHBondContact SD-N 3.28Å; M227-A294 HydrophobicContact CB-CB 3.87Å |
| 228 | K | 87.3 | Confident | 81 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 20% | 0.2 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 175.8 | -177.4 | -166.9 | -179 | -177.2 | 0 | 111.5 | H224 I225 L230 M231 I232 A294 S297 L298 | H224-K228 VanDerWaalsContact O-CB 3.24Å; H224-K228 WeakPolarHBondContact O-CB 3.24Å; H224-K228 PolarHBondContact O-N 3.18Å; I225-K228 WeakPolarHBondContact O-CB 3.48Å; I225-K228 PolarHBondContact O-N 2.93Å; I225-K228 VanDerWaalsContact O-N 3.1Å; K228-L230 VanDerWaalsContact C-N 3.32Å; K228-L230 PolarHBondContact O-N 3.03Å; K228-M231 PolarHBondContact O-N 2.99Å; K228-I232 HydrophobicContact CG-CD1 4.08Å; K228-I232 WeakPolarHBondContact O-CG1 3.42Å; K228-I232 PolarHBondContact O-N 3.01Å; K228-A294 HydrophobicContact CB-CB 4.12Å; K228-S297 WeakPolarHBondContact CD-OG 3.48Å; K228-L298 HydrophobicContact CG-CD1 4.37Å; K228-L298 HydrophobicContact CG-CD2 3.91Å; K228-L298 HydrophobicContact CG-CG 4.09Å |
| 229 | E | 87.4 | Confident | 78.5 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 5% | 0.051 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.9 | -41 | 178.5 | -64.1 | -56.4 | 137.4 | 0 | 0 | 111.4 | L172 G173 I176 I225 A226 M231 I232 L233 | L172-E229 HydrophobicContact CD2-CG 4.48Å; G173-E229 WeakPolarHBondContact CA-OE2 3.46Å; I176-E229 HydrophobicContact CD1-CB 3.72Å; I176-E229 HydrophobicContact CD1-CG 3.78Å; I225-E229 WeakPolarHBondContact O-CG 3.48Å; I225-E229 PolarHBondContact O-N 3.07Å; A226-E229 PolarHBondContact O-N 2.94Å; E229-M231 VanDerWaalsContact C-N 3.35Å; E229-M231 PolarHBondContact O-N 3.24Å; E229-I232 PolarHBondContact O-N 2.6Å; E229-L233 WeakPolarHBondContact O-CG 3.26Å; E229-L233 PolarHBondContact O-N 3.46Å |
| 230 | L | 90.7 | Very high | 75.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 174.8 | -68.4 | 177.2 | 0 | 0 | 0 | 112.6 | F180 L218 A226 M227 K228 L233 Q234 L261 L262 L265 | F180-L230 HydrophobicContact CE2-CD2 3.54Å; F180-L230 HydrophobicContact CZ-CD2 3.37Å; L218-L230 HydrophobicContact CD1-CD1 4.49Å; L218-L230 HydrophobicContact CD1-CD2 4.33Å; L218-L230 HydrophobicContact CD2-CD2 4.44Å; L218-L230 HydrophobicContact CD2-CG 4.38Å; A226-L230 VanDerWaalsContact O-CG 3.29Å; A226-L230 WeakPolarHBondContact O-CG 3.41Å; A226-L230 PolarHBondContact O-N 3.44Å; A226-L230 VanDerWaalsContact O-N 3.12Å; M227-L230 PolarHBondContact O-N 3.42Å; K228-L230 VanDerWaalsContact C-N 3.32Å; K228-L230 PolarHBondContact O-N 3.03Å; L230-L233 PolarHBondContact O-N 3.24Å; L230-Q234 WeakPolarHBondContact O-CB 3.45Å; L230-Q234 PolarHBondContact O-N 3.45Å; L230-L261 HydrophobicContact CD1-CB 4.14Å; L230-L262 HydrophobicContact CB-CD1 4.42Å; L230-L262 HydrophobicContact CD1-CB 4.25Å; L230-L265 HydrophobicContact CD1-CD1 3.68Å |
| 231 | M | 86.8 | Confident | 73.5 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 23% | 0.227 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 177.3 | -71.8 | 175.4 | 71.4 | 0 | 0 | 112 | M227 K228 E229 Q234 G235 L262 L291 A294 S295 L298 | M227-M231 VanDerWaalsContact O-CG 3.26Å; M227-M231 WeakPolarHBondContact O-CG 3.32Å; M227-M231 PolarHBondContact O-N 3.49Å; K228-M231 PolarHBondContact O-N 2.99Å; E229-M231 VanDerWaalsContact C-N 3.35Å; E229-M231 PolarHBondContact O-N 3.24Å; M231-Q234 PolarHBondContact O-N 3.03Å; M231-G235 PolarHBondContact O-N 3.33Å; M231-L262 HydrophobicContact CG-CD1 3.75Å; M231-L291 HydrophobicContact SD-CD1 3.99Å; M231-A294 HydrophobicContact SD-CB 4.12Å; M231-S295 WeakPolarHBondContact CE-OG 3.37Å; M231-L298 HydrophobicContact CB-CD1 3.76Å; M231-L298 HydrophobicContact CE-CD1 3.92Å; M231-L298 HydrophobicContact SD-CD1 4.16Å |
| 232 | I | 83.6 | Confident | 70.9 | Confident | 42 Ų | 42 | 67.4 Ų | 67.4 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 174.4 | -68.2 | 166.7 | 0 | 0 | 0 | 110 | L117 K228 E229 Q234 G235 L298 | L117-I232 HydrophobicContact CD2-CG2 3.86Å; L117-I232 HydrophobicContact CG-CG2 4.4Å; K228-I232 HydrophobicContact CG-CD1 4.08Å; K228-I232 WeakPolarHBondContact O-CG1 3.42Å; K228-I232 PolarHBondContact O-N 3.01Å; E229-I232 PolarHBondContact O-N 2.6Å; I232-Q234 PolarHBondContact O-N 2.91Å; I232-G235 PolarHBondContact O-N 2.95Å; I232-L298 HydrophobicContact CD1-CD2 3.94Å; I232-L298 HydrophobicContact CG1-CD2 3.63Å |
| 233 | L | 85.9 | Confident | 68.4 | Low | 12 Ų | 12 | 68.4 Ų | 68.4 | 6% | 0.063 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.1 | -31.5 | -179.1 | -67.5 | 171.1 | 0 | 0 | 0 | 113.5 | V115 I176 A177 F180 E229 L230 G235 A250 | V115-L233 WeakPolarHBondContact O-CD2 3.43Å; I176-L233 HydrophobicContact CB-CD1 4.28Å; I176-L233 HydrophobicContact CG2-CD1 3.48Å; I176-L233 VanDerWaalsContact CG2-CD1 3.48Å; A177-L233 HydrophobicContact CB-CD2 3.9Å; F180-L233 HydrophobicContact CD2-CD1 3.88Å; F180-L233 HydrophobicContact CE2-CD1 4.02Å; E229-L233 WeakPolarHBondContact O-CG 3.26Å; E229-L233 PolarHBondContact O-N 3.46Å; L230-L233 PolarHBondContact O-N 3.24Å; L233-G235 PolarHBondContact O-N 3.19Å; L233-A250 WeakPolarHBondContact O-CB 3.33Å |
| 234 | Q | 85 | Confident | 66.3 | Low | 64 Ų | 64 | 70 Ų | 70 | 30% | 0.299 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.1 | -25.2 | 176 | -170.3 | 171.7 | 10.3 | 0 | 0 | 112 | L230 M231 I232 R255 C258 | L230-Q234 WeakPolarHBondContact O-CB 3.45Å; L230-Q234 PolarHBondContact O-N 3.45Å; M231-Q234 PolarHBondContact O-N 3.03Å; I232-Q234 PolarHBondContact O-N 2.91Å; Q234-R255 HydrophobicContact CG-CB 4.25Å; Q234-R255 HydrophobicContact CG-CG 4.13Å; Q234-R255 WeakPolarHBondContact O-CD 3.33Å; Q234-R255 WeakPolarHBondContact O-CG 3.27Å; Q234-C258 HydrophobicContact CB-CB 3.99Å; Q234-C258 HydrophobicContact CG-CB 4.38Å |
| 235 | G | 69.8 | Low | 64.7 | Low | 26 Ų | 26 | 71.8 Ų | 71.8 | 27% | 0.268 | 40% | 0.402 | S | S | . | . | trans | 71.2 | 117.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M231 I232 L233 | M231-G235 PolarHBondContact O-N 3.33Å; I232-G235 PolarHBondContact O-N 2.95Å; L233-G235 PolarHBondContact O-N 3.19Å | ||
| 236 | G | 57.4 | Low | 63.3 | Low | 72 Ų | 72 | 77.4 Ų | 77.4 | 74% | 0.742 | 43% | 0.428 | S | S | * | . | trans | -69.1 | 145 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 237 | T | 44.2 | Very low | 62.1 | Low | 124 Ų | 124 | 80.7 Ų | 80.7 | 76% | 0.761 | 45% | 0.445 | S | S | * | . | trans | -59.8 | 136.5 | 171.7 | 49.3 | 0 | 0 | 0 | 0 | 110.5 | I239 | T237-I239 PolarHBondContact O-N 3.44Š| ||
| 238 | H | 41 | Very low | 60.9 | Low | 150 Ų | 150 | 83.6 Ų | 83.6 | 69% | 0.694 | 46% | 0.463 | S | S | * | . | trans | -44.8 | 84.4 | -178.8 | -61 | -84.7 | 0 | 0 | 0 | 114.5 | ||||
| 239 | I | 37.1 | Very low | 60.5 | Low | 109 Ų | 109 | 88.7 Ų | 88.7 | 56% | 0.559 | 49% | 0.486 | S | S | * | . | trans | -93.5 | 104.7 | 160.7 | -57 | 175.2 | 0 | 0 | 0 | 104.8 | T237 V241 | T237-I239 PolarHBondContact O-N 3.44Å; I239-V241 HydrophobicContact CB-CG2 4.48Å; I239-V241 HydrophobicContact CG2-CG2 3.75Å; I239-V241 PolarHBondContact O-N 2.74Å | ||
| 240 | R | 35.6 | Very low | 60.3 | Low | 231 Ų | 231 | 88.4 Ų | 88.4 | 87% | 0.872 | 49% | 0.485 | S | S | * | . | trans | -67.2 | 77 | 174.7 | -69.7 | -177.7 | 178.7 | -177.5 | -0.4 | 109.2 | ||||
| 241 | V | 37.4 | Very low | 60.2 | Low | 71 Ų | 71 | 89.5 Ų | 89.5 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | trans | -81.6 | 119.6 | 166.1 | -173.6 | 0 | 0 | 0 | 0 | 106.6 | I239 G243 A244 | I239-V241 HydrophobicContact CB-CG2 4.48Å; I239-V241 HydrophobicContact CG2-CG2 3.75Å; I239-V241 PolarHBondContact O-N 2.74Å; V241-G243 PolarHBondContact O-N 2.87Å; V241-G243 VanDerWaalsContact O-N 3.12Å; V241-A244 HydrophobicContact CB-CB 4.11Å; V241-A244 PolarHBondContact O-N 3.34Å; V241-A244 VanDerWaalsContact O-N 3.09Å | ||
| 242 | K | 30.5 | Very low | 60.2 | Low | 213 Ų | 213 | 91.4 Ų | 91.4 | 93% | 0.926 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 119.8 | 173.7 | -86.7 | -177.6 | 172.8 | 180 | 0 | 108.5 | ||
| 243 | G | 35 | Very low | 60.5 | Low | 87 Ų | 87 | 91.8 Ų | 91.8 | 90% | 0.897 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.9 | -8.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | V241 | V241-G243 PolarHBondContact O-N 2.87Å; V241-G243 VanDerWaalsContact O-N 3.12Å |
| 244 | A | 44.4 | Very low | 60.7 | Low | 61 Ų | 61 | 91.2 Ų | 91.2 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | trans | -86.1 | 133 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V241 Q246 | V241-A244 HydrophobicContact CB-CB 4.11Å; V241-A244 PolarHBondContact O-N 3.34Å; V241-A244 VanDerWaalsContact O-N 3.09Å; A244-Q246 PolarHBondContact O-N 2.88Å | ||
| 245 | I | 52.1 | Low | 60.8 | Low | 112 Ų | 112 | 92.2 Ų | 92.2 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | trans | -66.9 | 123.4 | 179 | -60.8 | 160.3 | 0 | 0 | 0 | 109 | M121 L247 | M121-I245 HydrophobicContact CE-CB 3.82Å; M121-I245 HydrophobicContact CE-CD1 3.34Å; M121-I245 HydrophobicContact CE-CG1 4.16Å; M121-I245 HydrophobicContact CE-CG2 3.71Å; I245-L247 PolarHBondContact O-N 3.48Å; I245-L247 VanDerWaalsContact O-N 3.14Å | ||
| 246 | Q | 56.5 | Low | 61.6 | Low | 149 Ų | 149 | 95.4 Ų | 95.4 | 70% | 0.696 | 51% | 0.51 | S | S | * | . | trans | -70.5 | 109.4 | 177.8 | -76.8 | -177.5 | 8.2 | 0 | 0 | 110 | A244 | A244-Q246 PolarHBondContact O-N 2.88Š| ||
| 247 | L | 64.8 | Low | 63.1 | Low | 69 Ų | 69 | 92.6 Ų | 92.6 | 36% | 0.361 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 136.7 | 171.5 | -68 | 167.9 | 0 | 0 | 0 | 109.8 | L117 P118 I245 | L117-L247 HydrophobicContact CD2-CD2 3.81Å; P118-L247 VanDerWaalsContact CD-CD2 3.48Å; P118-L247 HydrophobicContact CG-CD2 3.99Å; I245-L247 PolarHBondContact O-N 3.48Å; I245-L247 VanDerWaalsContact O-N 3.14Å |
| 248 | P | 67.2 | Low | 65.3 | Low | 60 Ų | 60 | 86.7 Ų | 86.7 | 39% | 0.39 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -60 | 146.4 | 173.6 | 24.3 | -32.6 | 0 | 0 | 0 | 110.6 | A250 | P248-A250 PolarHBondContact O-N 2.93Š|
| 249 | K | 77.2 | Confident | 67.5 | Low | 154 Ų | 154 | 80.4 Ų | 80.4 | 67% | 0.67 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 118.9 | -177.7 | -172.2 | 177.5 | -178.1 | 179 | 0 | 110.3 | ||
| 250 | A | 85 | Confident | 69.9 | Low | 5 Ų | 5 | 79.9 Ų | 79.9 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 141.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G114 L233 P248 L254 R255 | G114-A250 WeakPolarHBondContact O-CA 3.19Å; L233-A250 WeakPolarHBondContact O-CB 3.33Å; P248-A250 PolarHBondContact O-N 2.93Å; A250-L254 HydrophobicContact CB-CD2 4.25Å; A250-R255 HydrophobicContact CB-CG 3.83Å; A250-R255 PolarHBondContact O-NE 3.29Å |
| 251 | P | 87.7 | Confident | 72.5 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 14% | 0.143 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 149.7 | 175.2 | -27.2 | 34.8 | 0 | 0 | 0 | 113 | T113 V115 W253 L254 R255 | T113-P251 WeakPolarHBondContact O-CG 3.49Å; V115-P251 HydrophobicContact CG2-CG 3.85Å; P251-W253 VanDerWaalsContact C-N 3.29Å; P251-W253 HydrophobicContact CB-CG 4.28Å; P251-W253 PolarHBondContact O-N 3.39Å; P251-L254 HydrophobicContact CB-CB 4.35Å; P251-L254 PolarHBondContact O-N 3.24Å; P251-L254 VanDerWaalsContact O-N 3.17Å; P251-R255 WeakPolarHBondContact O-CG 3.38Å; P251-R255 PolarHBondContact O-N 3.34Å |
| 252 | V | 86.8 | Confident | 75 | Confident | 87 Ų | 87 | 66.8 Ų | 66.8 | 53% | 0.527 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | -178.5 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | L254 R255 K256 | V252-L254 VanDerWaalsContact C-N 3.31Å; V252-L254 PolarHBondContact O-N 2.86Å; V252-R255 PolarHBondContact O-N 3.46Å; V252-K256 HydrophobicContact CG1-CD 4.34Å; V252-K256 WeakPolarHBondContact O-CG 3.47Å; V252-K256 PolarHBondContact O-N 2.87Å |
| 253 | W | 89.1 | Confident | 77.8 | Confident | 49 Ų | 49 | 57.7 Ų | 57.7 | 19% | 0.186 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 178.6 | 69.7 | -103.2 | 0 | 0 | 0 | 111.2 | E112 V115 F180 F184 P251 K256 S257 | E112-W253 PolarHBondContact OE2-NE1 3.49Å; V115-W253 HydrophobicContact CG1-CH2 4.45Å; V115-W253 HydrophobicContact CG2-CH2 4.32Å; V115-W253 HydrophobicContact CG2-CZ2 3.78Å; F180-W253 HydrophobicContact CB-CH2 4.49Å; F180-W253 HydrophobicContact CB-CZ3 4.46Å; F184-W253 HydrophobicContact CB-CE3 3.63Å; F184-W253 HydrophobicContact CB-CZ3 3.64Å; P251-W253 VanDerWaalsContact C-N 3.29Å; P251-W253 HydrophobicContact CB-CG 4.28Å; P251-W253 PolarHBondContact O-N 3.39Å; W253-K256 PolarHBondContact O-N 3.45Å; W253-S257 WeakPolarHBondContact O-CB 3.48Å; W253-S257 PolarHBondContact O-N 3.23Å; W253-S257 PolarHBondContact O-OG 3.26Å; W253-S257 VanDerWaalsContact O-OG 3.1Å |
| 254 | L | 90.5 | Very high | 80.3 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.9 | -46.3 | -179.8 | -178.5 | 61.9 | 0 | 0 | 0 | 110.2 | V115 F180 A250 P251 V252 K256 S257 C258 | V115-L254 HydrophobicContact CB-CD2 4.22Å; V115-L254 HydrophobicContact CG1-CD2 4.14Å; V115-L254 HydrophobicContact CG2-CD2 4.18Å; F180-L254 HydrophobicContact CB-CD1 3.84Å; F180-L254 HydrophobicContact CD1-CD1 3.61Å; F180-L254 HydrophobicContact CD2-CD1 4.48Å; F180-L254 HydrophobicContact CE1-CD1 4.29Å; F180-L254 HydrophobicContact CG-CD1 3.74Å; A250-L254 HydrophobicContact CB-CD2 4.25Å; P251-L254 HydrophobicContact CB-CB 4.35Å; P251-L254 PolarHBondContact O-N 3.24Å; P251-L254 VanDerWaalsContact O-N 3.17Å; V252-L254 VanDerWaalsContact C-N 3.31Å; V252-L254 PolarHBondContact O-N 2.86Å; L254-K256 VanDerWaalsContact C-N 3.31Å; L254-K256 PolarHBondContact O-N 2.98Å; L254-S257 PolarHBondContact O-N 3.29Å; L254-C258 WeakPolarHBondContact O-CB 3.37Å; L254-C258 PolarHBondContact O-N 3.39Å; L254-C258 PolarHBondContact O-SG 3.1Å; L254-C258 VanDerWaalsContact O-SG 3.34Å |
| 255 | R | 87.4 | Confident | 82.4 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 33% | 0.325 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.3 | -42 | 177.4 | -69.9 | -168.7 | -75.9 | 140.1 | 5.1 | 112.7 | Q234 A250 P251 V252 G259 | Q234-R255 HydrophobicContact CG-CB 4.25Å; Q234-R255 HydrophobicContact CG-CG 4.13Å; Q234-R255 WeakPolarHBondContact O-CD 3.33Å; Q234-R255 WeakPolarHBondContact O-CG 3.27Å; A250-R255 HydrophobicContact CB-CG 3.83Å; A250-R255 PolarHBondContact O-NE 3.29Å; P251-R255 WeakPolarHBondContact O-CG 3.38Å; P251-R255 PolarHBondContact O-N 3.34Å; V252-R255 PolarHBondContact O-N 3.46Å; R255-G259 PolarHBondContact O-N 3.3Å |
| 256 | K | 86.5 | Confident | 84 | Confident | 93 Ų | 93 | 51.6 Ų | 51.6 | 40% | 0.404 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.5 | -45.9 | 175.9 | -72.8 | -174.2 | 177 | -125.1 | 0 | 111.8 | V252 W253 L254 G259 R260 E333 | V252-K256 HydrophobicContact CG1-CD 4.34Å; V252-K256 WeakPolarHBondContact O-CG 3.47Å; V252-K256 PolarHBondContact O-N 2.87Å; W253-K256 PolarHBondContact O-N 3.45Å; L254-K256 VanDerWaalsContact C-N 3.31Å; L254-K256 PolarHBondContact O-N 2.98Å; K256-G259 PolarHBondContact O-N 3.08Å; K256-R260 WeakPolarHBondContact O-CB 3.32Å; K256-R260 VanDerWaalsContact O-CG 3.29Å; K256-R260 WeakPolarHBondContact O-CG 3.35Å; K256-R260 PolarHBondContact O-N 3.15Å; K256-E333 IonicContact NZ-OE1 3.81Å; K256-E333 PolarHBondContact NZ-OE1 3.25Å |
| 257 | S | 89.5 | Confident | 85.4 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.7 | -44.7 | -179.9 | -66 | 0 | 0 | 0 | 0 | 112.2 | W253 L254 R260 L261 | W253-S257 WeakPolarHBondContact O-CB 3.48Å; W253-S257 PolarHBondContact O-N 3.23Å; W253-S257 PolarHBondContact O-OG 3.26Å; W253-S257 VanDerWaalsContact O-OG 3.1Å; L254-S257 PolarHBondContact O-N 3.29Å; S257-R260 PolarHBondContact O-N 3.12Å; S257-L261 WeakPolarHBondContact O-CG 3.48Å; S257-L261 PolarHBondContact O-N 3.47Å |
| 258 | C | 90.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -48.2 | 173.2 | -69.1 | 0 | 0 | 0 | 0 | 111.2 | Q234 L254 R260 L261 L262 | Q234-C258 HydrophobicContact CB-CB 3.99Å; Q234-C258 HydrophobicContact CG-CB 4.38Å; L254-C258 WeakPolarHBondContact O-CB 3.37Å; L254-C258 PolarHBondContact O-N 3.39Å; L254-C258 PolarHBondContact O-SG 3.1Å; L254-C258 VanDerWaalsContact O-SG 3.34Å; C258-R260 PolarHBondContact O-N 3.11Å; C258-L261 PolarHBondContact O-N 3.17Å; C258-L262 VanDerWaalsContact O-CB 3.27Å; C258-L262 WeakPolarHBondContact O-CB 3.26Å; C258-L262 PolarHBondContact O-N 2.94Å |
| 259 | G | 87.6 | Confident | 86.4 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 19% | 0.186 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.4 | -45.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R255 K256 L261 L262 S263 | R255-G259 PolarHBondContact O-N 3.3Å; K256-G259 PolarHBondContact O-N 3.08Å; G259-L261 PolarHBondContact O-N 3.27Å; G259-L262 PolarHBondContact O-N 3.27Å; G259-S263 PolarHBondContact O-N 3.15Å; G259-S263 PolarHBondContact O-OG 3.25Å |
| 260 | R | 87.4 | Confident | 85.8 | Confident | 98 Ų | 98 | 40.4 Ų | 40.4 | 37% | 0.37 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 176.6 | -72.9 | 172.4 | -173.3 | -174.1 | -1.8 | 112.2 | K256 S257 C258 R264 E333 | K256-R260 WeakPolarHBondContact O-CB 3.32Å; K256-R260 VanDerWaalsContact O-CG 3.29Å; K256-R260 WeakPolarHBondContact O-CG 3.35Å; K256-R260 PolarHBondContact O-N 3.15Å; S257-R260 PolarHBondContact O-N 3.12Å; C258-R260 PolarHBondContact O-N 3.11Å; R260-R264 VanDerWaalsContact O-CG 3.32Å; R260-R264 WeakPolarHBondContact O-CG 3.42Å; R260-R264 PolarHBondContact O-N 3.46Å; R260-E333 IonicContact CZ-OE2 3.38Å; R260-E333 IonicContact NE-OE2 3Å; R260-E333 PolarHBondContact NE-OE2 3.09Å; R260-E333 VanDerWaalsContact NE-OE2 3.15Å; R260-E333 IonicContact NH2-OE2 2.75Å; R260-E333 PolarHBondContact NH2-OE2 2.57Å |
| 261 | L | 89.9 | Confident | 84.5 | Confident | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.9 | -36.9 | 179.7 | -69.8 | 173.2 | 0 | 0 | 0 | 111.9 | F180 F184 L214 W215 L218 L230 S257 C258 G259 R264 L265 | F180-L261 HydrophobicContact CE1-CD1 3.68Å; F180-L261 HydrophobicContact CZ-CD1 3.5Å; F180-L261 VanDerWaalsContact CZ-CD1 3.5Å; F184-L261 HydrophobicContact CE2-CD1 4.31Å; L214-L261 HydrophobicContact CD2-CD1 4.23Å; W215-L261 HydrophobicContact CE3-CD2 3.65Å; W215-L261 HydrophobicContact CZ3-CD2 3.68Å; L218-L261 HydrophobicContact CD1-CD1 4.23Å; L230-L261 HydrophobicContact CD1-CB 4.14Å; S257-L261 WeakPolarHBondContact O-CG 3.48Å; S257-L261 PolarHBondContact O-N 3.47Å; C258-L261 PolarHBondContact O-N 3.17Å; G259-L261 PolarHBondContact O-N 3.27Å; L261-R264 PolarHBondContact O-N 3.39Å; L261-L265 WeakPolarHBondContact O-CG 3.29Å; L261-L265 PolarHBondContact O-N 2.99Å |
| 262 | L | 89.4 | Confident | 82.8 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 7% | 0.068 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -46.3 | 175.5 | -169.7 | 145 | 0 | 0 | 0 | 111 | L230 M231 C258 G259 R264 L265 L266 L291 | L230-L262 HydrophobicContact CB-CD1 4.42Å; L230-L262 HydrophobicContact CD1-CB 4.25Å; M231-L262 HydrophobicContact CG-CD1 3.75Å; C258-L262 VanDerWaalsContact O-CB 3.27Å; C258-L262 WeakPolarHBondContact O-CB 3.26Å; C258-L262 PolarHBondContact O-N 2.94Å; G259-L262 PolarHBondContact O-N 3.27Å; L262-R264 VanDerWaalsContact C-N 3.3Å; L262-R264 PolarHBondContact O-N 2.93Å; L262-L265 PolarHBondContact O-N 3.24Å; L262-L266 PolarHBondContact O-N 3.01Å; L262-L291 HydrophobicContact CD1-CD1 4.09Å; L262-L291 HydrophobicContact CD2-CD1 3.88Å; L262-L291 HydrophobicContact CD2-CD2 4.44Å; L262-L291 HydrophobicContact CG-CD1 4.28Å |
| 263 | S | 88.5 | Confident | 80.4 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.8 | -34.9 | 174.2 | -61.2 | 0 | 0 | 0 | 0 | 112.7 | G259 L266 | G259-S263 PolarHBondContact O-N 3.15Å; G259-S263 PolarHBondContact O-OG 3.25Å; S263-L266 WeakPolarHBondContact O-CB 3.45Å; S263-L266 PolarHBondContact O-N 3.12Å |
| 264 | R | 88.3 | Confident | 77.9 | Confident | 125 Ų | 125 | 54.1 Ų | 54.1 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 173.3 | -73.7 | 178.1 | 74.8 | 171.5 | 4.6 | 112 | W215 R260 L261 L262 L266 V267 H268 F334 | W215-R264 HydrophobicContact CH2-CB 3.88Å; W215-R264 HydrophobicContact CZ3-CB 4.39Å; R260-R264 VanDerWaalsContact O-CG 3.32Å; R260-R264 WeakPolarHBondContact O-CG 3.42Å; R260-R264 PolarHBondContact O-N 3.46Å; L261-R264 PolarHBondContact O-N 3.39Å; L262-R264 VanDerWaalsContact C-N 3.3Å; L262-R264 PolarHBondContact O-N 2.93Å; R264-L266 VanDerWaalsContact C-N 3.25Å; R264-L266 PolarHBondContact O-N 2.95Å; R264-V267 PolarHBondContact O-N 3.12Å; R264-H268 WeakPolarHBondContact O-CB 3.46Å; R264-H268 PolarHBondContact O-N 3.23Å; R264-F334 HydrophobicContact CG-CE1 4.29Å |
| 265 | L | 87.9 | Confident | 75.2 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -29.4 | 176.3 | -73.6 | 172.4 | 0 | 0 | 0 | 112.5 | W215 L219 A226 M227 L230 L261 L262 V267 | W215-L265 HydrophobicContact CH2-CD2 3.9Å; W215-L265 HydrophobicContact CH2-CG 4.13Å; W215-L265 HydrophobicContact CZ3-CD2 4.09Å; W215-L265 HydrophobicContact CZ3-CG 4.1Å; L219-L265 HydrophobicContact CD2-CD2 4.16Å; A226-L265 HydrophobicContact CB-CD1 4.21Å; M227-L265 HydrophobicContact CE-CB 3.62Å; M227-L265 HydrophobicContact CG-CD1 4.36Å; L230-L265 HydrophobicContact CD1-CD1 3.68Å; L261-L265 WeakPolarHBondContact O-CG 3.29Å; L261-L265 PolarHBondContact O-N 2.99Å; L262-L265 PolarHBondContact O-N 3.24Å; L265-V267 VanDerWaalsContact C-N 3.3Å; L265-V267 PolarHBondContact O-N 3.05Å |
| 266 | L | 87.2 | Confident | 72.5 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.3 | -36.4 | 177.1 | -163.5 | 83.7 | 0 | 0 | 0 | 112.6 | M227 L262 S263 R264 G287 V288 L291 L328 Y351 V355 Q358 | M227-L266 HydrophobicContact CE-CD1 4.5Å; L262-L266 PolarHBondContact O-N 3.01Å; S263-L266 WeakPolarHBondContact O-CB 3.45Å; S263-L266 PolarHBondContact O-N 3.12Å; R264-L266 VanDerWaalsContact C-N 3.25Å; R264-L266 PolarHBondContact O-N 2.95Å; L266-G287 WeakPolarHBondContact O-CA 3.24Å; L266-V288 HydrophobicContact CD1-CG2 4.16Å; L266-V288 HydrophobicContact CG-CG2 4.35Å; L266-L291 HydrophobicContact CD1-CB 4.09Å; L266-L291 HydrophobicContact CD1-CD2 3.86Å; L266-L328 HydrophobicContact CD1-CD2 4Å; L266-L328 HydrophobicContact CD2-CD2 3.96Å; L266-Y351 VanDerWaalsContact CD2-OH 3.27Å; L266-Y351 WeakPolarHBondContact CD2-OH 3.49Å; L266-V355 HydrophobicContact CD2-CG2 3.65Å; L266-Q358 PolarHBondContact O-NE2 3.25Å; L266-Q358 VanDerWaalsContact O-NE2 3.08Å |
| 267 | V | 85.3 | Confident | 69.8 | Low | 27 Ų | 27 | 64 Ų | 64 | 16% | 0.164 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -108.7 | -0.1 | -175.9 | -62.4 | 0 | 0 | 0 | 0 | 113.8 | R264 L265 Y351 L354 V355 | R264-V267 PolarHBondContact O-N 3.12Å; L265-V267 VanDerWaalsContact C-N 3.3Å; L265-V267 PolarHBondContact O-N 3.05Å; V267-Y351 HydrophobicContact CB-CE2 4.45Å; V267-Y351 HydrophobicContact CG1-CD2 3.59Å; V267-Y351 HydrophobicContact CG1-CE2 3.4Å; V267-Y351 HydrophobicContact CG2-CD2 4.29Å; V267-Y351 HydrophobicContact CG2-CE2 4.22Å; V267-L354 HydrophobicContact CB-CB 4.45Å; V267-L354 HydrophobicContact CB-CD1 4.15Å; V267-L354 HydrophobicContact CG1-CB 4.17Å; V267-V355 HydrophobicContact CG1-CG2 4.03Å |
| 268 | H | 82.6 | Confident | 66.9 | Low | 66 Ų | 66 | 72 Ų | 72 | 31% | 0.306 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 128.8 | 178.4 | -164.5 | -74.1 | 0 | 0 | 0 | 110.7 | W215 R223 R264 | W215-H268 AromaticContact CZ2-CD2 3.85Å; R223-H268 PolarHBondContact NH1-O 3.16Å; R223-H268 PolarHBondContact NH2-O 3.05Å; R264-H268 WeakPolarHBondContact O-CB 3.46Å; R264-H268 PolarHBondContact O-N 3.23Å |
| 269 | P | 70.5 | Confident | 64.2 | Low | 63 Ų | 63 | 82 Ų | 82 | 41% | 0.409 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 141.7 | 174.9 | 25.7 | -31.7 | 0 | 0 | 0 | 111.6 | N285 | P269-N285 VanDerWaalsContact CA-OD1 3.26Å; P269-N285 WeakPolarHBondContact CA-OD1 3.33Å |
| 270 | V | 64.5 | Low | 61.3 | Low | 41 Ų | 41 | 86.7 Ų | 86.7 | 25% | 0.248 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -93 | 123.6 | 167.7 | -172.5 | 0 | 0 | 0 | 0 | 107.3 | I272 | V270-I272 HydrophobicContact CG1-CG1 4.08Š|
| 271 | V | 57.1 | Low | 58.7 | Low | 123 Ų | 123 | 90.8 Ų | 90.8 | 75% | 0.745 | 50% | 0.5 | S | S | * | . | trans | -89.2 | 107.4 | 163.7 | -178.1 | 0 | 0 | 0 | 0 | 106.6 | S273 | V271-S273 PolarHBondContact O-N 2.95Å; V271-S273 VanDerWaalsContact O-N 3.12Å | ||
| 272 | I | 51.3 | Low | 56.2 | Low | 88 Ų | 88 | 96.8 Ų | 96.8 | 45% | 0.451 | 53% | 0.532 | S | S | . | . | trans | -78.6 | 94.9 | 174 | -56.2 | 172.4 | 0 | 0 | 0 | 106.7 | V270 N274 | V270-I272 HydrophobicContact CG1-CG1 4.08Å; I272-N274 HydrophobicContact CG2-CB 4.33Å; I272-N274 PolarHBondContact O-N 3.4Å | ||
| 273 | S | 37.9 | Very low | 54.1 | Low | 107 Ų | 107 | 99.1 Ų | 99.1 | 75% | 0.748 | 55% | 0.553 | S | S | * | * | trans | -78.1 | 76.2 | 169.9 | 58.7 | 0 | 0 | 0 | 0 | 109.3 | V271 | V271-S273 PolarHBondContact O-N 2.95Å; V271-S273 VanDerWaalsContact O-N 3.12Å | ||
| 274 | N | 36.7 | Very low | 52.7 | Low | 134 Ų | 134 | 102.2 Ų | 102.2 | 72% | 0.717 | 57% | 0.565 | S | S | * | * | trans | -91.7 | 126.4 | 162.3 | -85.5 | -2.5 | 0 | 0 | 0 | 108.6 | I272 N276 | I272-N274 HydrophobicContact CG2-CB 4.33Å; I272-N274 PolarHBondContact O-N 3.4Å; N274-N276 VanDerWaalsContact C-N 3.3Å; N274-N276 PolarHBondContact O-N 2.93Å | ||
| 275 | T | 32.5 | Very low | 51.6 | Low | 135 Ų | 135 | 98 Ų | 98 | 83% | 0.828 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -57.9 | 89.6 | 169.2 | 48.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 276 | N | 30.5 | Very low | 50.9 | Low | 149 Ų | 149 | 100.2 Ų | 100.2 | 80% | 0.797 | 56% | 0.563 | S | S | * | * | trans | -158.2 | 106.6 | 150.2 | -85.8 | -24.3 | 0 | 0 | 0 | 105.5 | N274 E278 | N274-N276 VanDerWaalsContact C-N 3.3Å; N274-N276 PolarHBondContact O-N 2.93Å; N276-E278 VanDerWaalsContact C-N 3.27Å; N276-E278 PolarHBondContact O-N 3.36Å | ||
| 277 | A | 30.2 | Very low | 50.8 | Low | 103 Ų | 103 | 100 Ų | 100 | 85% | 0.851 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -69.1 | 89 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||
| 278 | E | 28.8 | Very low | 51 | Low | 180 Ų | 180 | 98.8 Ų | 98.8 | 84% | 0.841 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 170.7 | 119.6 | 152.9 | -94.8 | 165.2 | -156.1 | 0 | 0 | 107.6 | N276 | N276-E278 VanDerWaalsContact C-N 3.27Å; N276-E278 PolarHBondContact O-N 3.36Å |
| 279 | K | 33.2 | Very low | 51.3 | Low | 210 Ų | 210 | 98 Ų | 98 | 91% | 0.913 | 55% | 0.549 | S | S | * | . | trans | 93.4 | 55.6 | -169.8 | -53.8 | -178.8 | -179.8 | -178.9 | 0 | 116.1 | E281 | K279-E281 PolarHBondContact O-N 3.04Š| ||
| 280 | S | 27.9 | Very low | 52.1 | Low | 117 Ų | 117 | 95.5 Ų | 95.5 | 82% | 0.818 | 53% | 0.533 | S | S | * | . | trans | -74.6 | 100.9 | 154 | 59.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 281 | E | 32.3 | Very low | 53.3 | Low | 184 Ų | 184 | 93.7 Ų | 93.7 | 86% | 0.86 | 52% | 0.522 | S | S | * | . | trans | -168 | -6.2 | 156.8 | -113.8 | 170.4 | -154.3 | 0 | 0 | 116.9 | K279 A283 | K279-E281 PolarHBondContact O-N 3.04Å; E281-A283 PolarHBondContact O-N 3.44Å | ||
| 282 | N | 37.6 | Very low | 54.8 | Low | 140 Ų | 140 | 87.9 Ų | 87.9 | 75% | 0.749 | 49% | 0.487 | S | S | * | . | trans | -106.9 | 81.2 | -174.5 | -68.9 | -16.4 | 0 | 0 | 0 | 113.3 | Q284 | N282-Q284 PolarHBondContact O-N 2.94Å; N282-Q284 VanDerWaalsContact O-N 3.08Å | ||
| 283 | A | 46.1 | Very low | 56.4 | Low | 61 Ų | 61 | 86.5 Ų | 86.5 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | trans | -68.6 | 97.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | E281 N285 | E281-A283 PolarHBondContact O-N 3.44Å; A283-N285 PolarHBondContact O-N 3.35Å | ||
| 284 | Q | 58.4 | Low | 58.7 | Low | 87 Ų | 87 | 81.4 Ų | 81.4 | 41% | 0.407 | 44% | 0.444 | S | S | . | . | trans | -78.8 | 117.3 | 177.4 | -71.2 | -174.6 | -13.5 | 0 | 0 | 110.6 | N282 L286 | N282-Q284 PolarHBondContact O-N 2.94Å; N282-Q284 VanDerWaalsContact O-N 3.08Å; Q284-L286 HydrophobicContact CB-CD1 4.42Å; Q284-L286 HydrophobicContact CB-CG 4.17Å; Q284-L286 PolarHBondContact O-N 3.15Å; Q284-L286 VanDerWaalsContact O-N 3.1Å | ||
| 285 | N | 64.5 | Low | 61 | Low | 36 Ų | 36 | 75.3 Ų | 75.3 | 19% | 0.193 | 41% | 0.412 | C | S | . | . | trans | -77.9 | 92.3 | 174.4 | -74.3 | -31.6 | 0 | 0 | 0 | 109.5 | P269 A283 Q358 | P269-N285 VanDerWaalsContact CA-OD1 3.26Å; P269-N285 WeakPolarHBondContact CA-OD1 3.33Å; A283-N285 PolarHBondContact O-N 3.35Å; N285-Q358 HydrophobicContact CB-CG 3.72Å; N285-Q358 VanDerWaalsContact O-CD 3.24Å; N285-Q358 WeakPolarHBondContact O-CG 3.33Å; N285-Q358 PolarHBondContact O-OE1 3.03Å | ||
| 286 | L | 74.6 | Confident | 63.2 | Low | 50 Ų | 50 | 68.9 Ų | 68.9 | 26% | 0.262 | 37% | 0.372 | S | S | . | . | trans | -95.2 | 17.1 | -176.3 | -67.1 | 164.9 | 0 | 0 | 0 | 113.7 | Q284 S290 | Q284-L286 HydrophobicContact CB-CD1 4.42Å; Q284-L286 HydrophobicContact CB-CG 4.17Å; Q284-L286 PolarHBondContact O-N 3.15Å; Q284-L286 VanDerWaalsContact O-N 3.1Å; L286-S290 VanDerWaalsContact O-CB 3.23Å; L286-S290 WeakPolarHBondContact O-CB 3.29Å; L286-S290 PolarHBondContact O-N 3.39Å; L286-S290 PolarHBondContact O-OG 3.17Å | ||
| 287 | G | 84.4 | Confident | 65.4 | Low | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.9 | -50.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L266 S290 L291 | L266-G287 WeakPolarHBondContact O-CA 3.24Å; G287-S290 PolarHBondContact O-N 2.62Å; G287-L291 PolarHBondContact O-N 2.99Å |
| 288 | V | 89.4 | Confident | 67.5 | Low | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.6 | -51.5 | 178.5 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | L266 S290 L291 L292 L328 V355 Q358 L359 I362 | L266-V288 HydrophobicContact CD1-CG2 4.16Å; L266-V288 HydrophobicContact CG-CG2 4.35Å; V288-S290 VanDerWaalsContact C-N 3.25Å; V288-S290 PolarHBondContact O-N 2.81Å; V288-L291 WeakPolarHBondContact O-CB 3.46Å; V288-L291 PolarHBondContact O-N 3.44Å; V288-L292 HydrophobicContact CG1-CD1 4.18Å; V288-L292 HydrophobicContact CG1-CG 4.41Å; V288-L292 WeakPolarHBondContact O-CG 3.31Å; V288-L292 PolarHBondContact O-N 3.42Å; V288-L328 HydrophobicContact CG1-CD1 4.07Å; V288-L328 HydrophobicContact CG1-CD2 4.25Å; V288-L328 HydrophobicContact CG2-CD2 4.1Å; V288-V355 HydrophobicContact CG2-CG1 4.06Å; V288-Q358 HydrophobicContact CB-CB 4.09Å; V288-Q358 HydrophobicContact CG2-CB 3.78Å; V288-Q358 HydrophobicContact CG2-CG 4.45Å; V288-L359 HydrophobicContact CG1-CD2 3.89Å; V288-I362 HydrophobicContact CB-CD1 4.32Å; V288-I362 HydrophobicContact CG1-CD1 3.73Å |
| 289 | R | 88.5 | Confident | 69.4 | Low | 51 Ų | 51 | 54.3 Ų | 54.3 | 19% | 0.192 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -53.7 | -42.7 | 176.1 | -76.4 | -175.7 | 152.3 | 95.1 | 3.4 | 112.6 | L292 L293 E361 I362 T365 F384 | R289-L292 PolarHBondContact O-N 3.19Å; R289-L293 WeakPolarHBondContact O-CG 3.47Å; R289-L293 PolarHBondContact O-N 2.68Å; R289-E361 IonicContact NH1-OE1 3.82Å; R289-E361 IonicContact NH1-OE2 3.1Å; R289-I362 HydrophobicContact CG-CD1 3.88Å; R289-I362 HydrophobicContact CG-CG1 3.89Å; R289-T365 PolarHBondContact NH2-OG1 3.14Å; R289-F384 HydrophobicContact CG-CD2 4.43Å; R289-F384 HydrophobicContact CG-CE2 4.49Å |
| 290 | S | 87.2 | Confident | 70.4 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 178.8 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | R223 H224 L286 G287 V288 L293 A294 | R223-S290 WeakPolarHBondContact CB-OG 3.26Å; H224-S290 WeakPolarHBondContact CB-O 3.35Å; L286-S290 VanDerWaalsContact O-CB 3.23Å; L286-S290 WeakPolarHBondContact O-CB 3.29Å; L286-S290 PolarHBondContact O-N 3.39Å; L286-S290 PolarHBondContact O-OG 3.17Å; G287-S290 PolarHBondContact O-N 2.62Å; V288-S290 VanDerWaalsContact C-N 3.25Å; V288-S290 PolarHBondContact O-N 2.81Å; S290-L293 PolarHBondContact O-N 3.29Å; S290-A294 VanDerWaalsContact O-CB 3.31Å; S290-A294 WeakPolarHBondContact O-CB 3.46Å; S290-A294 PolarHBondContact O-N 3.45Å |
| 291 | L | 90.5 | Very high | 71.4 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 175.6 | 179.5 | 63.8 | 0 | 0 | 0 | 111 | M227 M231 L262 L266 G287 V288 A294 S295 I327 L328 | M227-L291 VanDerWaalsContact SD-CA 3.53Å; M227-L291 HydrophobicContact SD-CB 3.78Å; M227-L291 HydrophobicContact SD-CD1 4.37Å; M227-L291 PolarHBondContact SD-N 3.28Å; M231-L291 HydrophobicContact SD-CD1 3.99Å; L262-L291 HydrophobicContact CD1-CD1 4.09Å; L262-L291 HydrophobicContact CD2-CD1 3.88Å; L262-L291 HydrophobicContact CD2-CD2 4.44Å; L262-L291 HydrophobicContact CG-CD1 4.28Å; L266-L291 HydrophobicContact CD1-CB 4.09Å; L266-L291 HydrophobicContact CD1-CD2 3.86Å; G287-L291 PolarHBondContact O-N 2.99Å; V288-L291 WeakPolarHBondContact O-CB 3.46Å; V288-L291 PolarHBondContact O-N 3.44Å; L291-A294 PolarHBondContact O-N 3.08Å; L291-S295 WeakPolarHBondContact O-CB 3.34Å; L291-S295 PolarHBondContact O-N 2.77Å; L291-S295 PolarHBondContact O-OG 2.8Å; L291-I327 HydrophobicContact CD2-CG2 4.3Å; L291-L328 HydrophobicContact CD2-CD2 4.07Å |
| 292 | L | 89.1 | Confident | 72.1 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.5 | -43.9 | 178.8 | -57.6 | 178.5 | 0 | 0 | 0 | 111.2 | V288 R289 S295 L296 L324 I362 F384 V387 | V288-L292 HydrophobicContact CG1-CD1 4.18Å; V288-L292 HydrophobicContact CG1-CG 4.41Å; V288-L292 WeakPolarHBondContact O-CG 3.31Å; V288-L292 PolarHBondContact O-N 3.42Å; R289-L292 PolarHBondContact O-N 3.19Å; L292-S295 PolarHBondContact O-N 3.37Å; L292-L296 WeakPolarHBondContact O-CG 3.43Å; L292-L296 PolarHBondContact O-N 3.12Å; L292-L324 HydrophobicContact CD2-CB 4.33Å; L292-L324 HydrophobicContact CD2-CD1 3.81Å; L292-L324 HydrophobicContact CD2-CG 4.49Å; L292-I362 HydrophobicContact CD1-CD1 4.26Å; L292-F384 HydrophobicContact CB-CD1 3.52Å; L292-F384 HydrophobicContact CB-CE1 3.26Å; L292-F384 HydrophobicContact CB-CE2 4.36Å; L292-F384 HydrophobicContact CB-CG 4.22Å; L292-F384 HydrophobicContact CB-CZ 3.74Å; L292-F384 HydrophobicContact CD1-CB 3.83Å; L292-F384 HydrophobicContact CD1-CD1 3.58Å; L292-F384 HydrophobicContact CD1-CD2 4.19Å; L292-F384 HydrophobicContact CD1-CE1 4.21Å; L292-F384 HydrophobicContact CD1-CG 3.6Å; L292-F384 HydrophobicContact CG-CD1 4.16Å; L292-F384 HydrophobicContact CG-CE1 4.36Å; L292-V387 HydrophobicContact CD2-CB 4.22Å; L292-V387 HydrophobicContact CD2-CG1 3.78Å; L292-V387 HydrophobicContact CD2-CG2 4.18Å |
| 293 | L | 85.1 | Confident | 72 | Confident | 59 Ų | 59 | 39 Ų | 39 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.4 | -45.5 | 172.8 | -76.2 | 173.2 | 0 | 0 | 0 | 112.4 | H224 R289 S290 S295 L296 S297 V380 F384 | H224-L293 HydrophobicContact CB-CB 3.87Å; H224-L293 HydrophobicContact CB-CD1 4.43Å; R289-L293 WeakPolarHBondContact O-CG 3.47Å; R289-L293 PolarHBondContact O-N 2.68Å; S290-L293 PolarHBondContact O-N 3.29Å; L293-S295 VanDerWaalsContact C-N 3.29Å; L293-S295 PolarHBondContact O-N 2.99Å; L293-L296 PolarHBondContact O-N 3.5Å; L293-S297 PolarHBondContact O-N 3.35Å; L293-V380 HydrophobicContact CD2-CG1 4.36Å; L293-F384 HydrophobicContact CD2-CE2 4.44Å; L293-F384 HydrophobicContact CD2-CZ 3.75Å; L293-F384 HydrophobicContact CG-CE2 4.27Å; L293-F384 HydrophobicContact CG-CZ 3.72Å |
| 294 | A | 84.8 | Confident | 71.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.1 | -45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | H224 M227 K228 M231 S290 L291 S297 L298 | H224-A294 VanDerWaalsContact O-CB 3.24Å; H224-A294 WeakPolarHBondContact O-CB 3.29Å; M227-A294 HydrophobicContact CB-CB 3.87Å; K228-A294 HydrophobicContact CB-CB 4.12Å; M231-A294 HydrophobicContact SD-CB 4.12Å; S290-A294 VanDerWaalsContact O-CB 3.31Å; S290-A294 WeakPolarHBondContact O-CB 3.46Å; S290-A294 PolarHBondContact O-N 3.45Å; L291-A294 PolarHBondContact O-N 3.08Å; A294-S297 PolarHBondContact O-N 2.73Å; A294-S297 PolarHBondContact O-OG 2.96Å; A294-L298 PolarHBondContact O-N 2.89Å |
| 295 | S | 85.5 | Confident | 70.3 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 4% | 0.035 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 179.9 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | M231 L291 L292 L293 S297 L298 M320 L324 | M231-S295 WeakPolarHBondContact CE-OG 3.37Å; L291-S295 WeakPolarHBondContact O-CB 3.34Å; L291-S295 PolarHBondContact O-N 2.77Å; L291-S295 PolarHBondContact O-OG 2.8Å; L292-S295 PolarHBondContact O-N 3.37Å; L293-S295 VanDerWaalsContact C-N 3.29Å; L293-S295 PolarHBondContact O-N 2.99Å; S295-S297 VanDerWaalsContact C-N 3.33Å; S295-S297 PolarHBondContact O-N 3.35Å; S295-L298 PolarHBondContact O-N 3.09Å; S295-M320 VanDerWaalsContact CB-CE 3.43Å; S295-M320 WeakPolarHBondContact O-CE 3.31Å; S295-L324 VanDerWaalsContact OG-CD2 3.3Å; S295-L324 WeakPolarHBondContact OG-CD2 3.29Å |
| 296 | L | 79.4 | Confident | 68.9 | Low | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 175.1 | -71.1 | -179.2 | 0 | 0 | 0 | 112 | L292 L293 L298 C299 I302 I309 I312 M320 V380 F383 F384 | L292-L296 WeakPolarHBondContact O-CG 3.43Å; L292-L296 PolarHBondContact O-N 3.12Å; L293-L296 PolarHBondContact O-N 3.5Å; L296-L298 PolarHBondContact O-N 2.71Å; L296-C299 PolarHBondContact O-N 2.83Å; L296-C299 VanDerWaalsContact O-N 3.15Å; L296-I302 WeakPolarHBondContact O-CD1 3.46Å; L296-I309 HydrophobicContact CB-CD1 4.35Å; L296-I309 HydrophobicContact CD1-CD1 4.35Å; L296-I312 HydrophobicContact CD1-CD1 4.25Å; L296-I312 HydrophobicContact CD2-CD1 3.28Å; L296-I312 HydrophobicContact CD2-CG1 3.76Å; L296-I312 HydrophobicContact CG-CD1 4.41Å; L296-M320 HydrophobicContact CD2-CE 4.04Å; L296-M320 HydrophobicContact CD2-SD 4.36Å; L296-V380 HydrophobicContact CD1-CG1 3.88Å; L296-V380 HydrophobicContact CD1-CG2 4.35Å; L296-F383 HydrophobicContact CD1-CD1 3.94Å; L296-F383 HydrophobicContact CD1-CE1 4.36Å; L296-F383 HydrophobicContact CD2-CD1 3.72Å; L296-F383 HydrophobicContact CD2-CE1 3.61Å; L296-F383 HydrophobicContact CD2-CG 4.28Å; L296-F383 HydrophobicContact CD2-CZ 4.03Å; L296-F383 HydrophobicContact CG-CD1 4.01Å; L296-F383 HydrophobicContact CG-CE1 3.94Å; L296-F384 HydrophobicContact CD1-CE1 3.76Å; L296-F384 HydrophobicContact CD1-CZ 4.44Å |
| 297 | S | 75.5 | Confident | 67 | Low | 32 Ų | 32 | 46.3 Ų | 46.3 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -11.3 | 179.6 | 78.7 | 0 | 0 | 0 | 0 | 114.9 | K228 L293 A294 S295 | K228-S297 WeakPolarHBondContact CD-OG 3.48Å; L293-S297 PolarHBondContact O-N 3.35Å; A294-S297 PolarHBondContact O-N 2.73Å; A294-S297 PolarHBondContact O-OG 2.96Å; S295-S297 VanDerWaalsContact C-N 3.33Å; S295-S297 PolarHBondContact O-N 3.35Å |
| 298 | L | 75.3 | Confident | 64.9 | Low | 70 Ų | 70 | 50 Ų | 50 | 37% | 0.366 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -6.5 | 179.7 | -67.4 | 169.6 | 0 | 0 | 0 | 113.2 | K228 M231 I232 A294 S295 L296 | K228-L298 HydrophobicContact CG-CD1 4.37Å; K228-L298 HydrophobicContact CG-CD2 3.91Å; K228-L298 HydrophobicContact CG-CG 4.09Å; M231-L298 HydrophobicContact CB-CD1 3.76Å; M231-L298 HydrophobicContact CE-CD1 3.92Å; M231-L298 HydrophobicContact SD-CD1 4.16Å; I232-L298 HydrophobicContact CD1-CD2 3.94Å; I232-L298 HydrophobicContact CG1-CD2 3.63Å; A294-L298 PolarHBondContact O-N 2.89Å; S295-L298 PolarHBondContact O-N 3.09Å; L296-L298 PolarHBondContact O-N 2.71Å |
| 299 | C | 68.7 | Low | 62.9 | Low | 25 Ų | 25 | 52 Ų | 52 | 17% | 0.169 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -78.9 | 136.5 | -178.2 | -76.7 | 0 | 0 | 0 | 0 | 112.1 | L296 I302 M320 | L296-C299 PolarHBondContact O-N 2.83Å; L296-C299 VanDerWaalsContact O-N 3.15Å; C299-I302 HydrophobicContact CB-CD1 3.9Å; C299-M320 VanDerWaalsContact SG-CE 3.51Å; C299-M320 PolarHBondContact SG-SD 3.37Å |
| 300 | P | 54.1 | Low | 60.8 | Low | 88 Ų | 88 | 53.9 Ų | 53.9 | 57% | 0.571 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 137.5 | 177 | 24.9 | -31.3 | 0 | 0 | 0 | 110.9 | I316 | P300-I316 HydrophobicContact CG-CD1 4.49Š|
| 301 | G | 47.7 | Very low | 59.2 | Low | 72 Ų | 72 | 57.8 Ų | 57.8 | 74% | 0.742 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.4 | -8.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 302 | I | 48.9 | Very low | 57.7 | Low | 24 Ų | 24 | 58.3 Ų | 58.3 | 12% | 0.123 | 38% | 0.38 | C | S | . | . | trans | -97.6 | 100 | 173.6 | -62.3 | 163.7 | 0 | 0 | 0 | 107.1 | L296 C299 P304 I309 I312 | L296-I302 WeakPolarHBondContact O-CD1 3.46Å; C299-I302 HydrophobicContact CB-CD1 3.9Å; I302-P304 WeakPolarHBondContact O-CD 3.49Å; I302-P304 VanDerWaalsContact O-N 3.1Å; I302-I309 HydrophobicContact CD1-CG2 3.96Å; I302-I309 HydrophobicContact CG1-CG2 4.18Å; I302-I309 HydrophobicContact CG2-CG1 4.28Å; I302-I309 HydrophobicContact CG2-CG2 4.15Å; I302-I312 HydrophobicContact CD1-CG1 4.41Å | ||
| 303 | L | 34 | Very low | 56.4 | Low | 145 Ų | 145 | 61.3 Ų | 61.3 | 76% | 0.759 | 40% | 0.396 | S | S | * | . | trans | -61.4 | 110 | 177.6 | -90.7 | 108.6 | 0 | 0 | 0 | 109.9 | S305 | L303-S305 VanDerWaalsContact C-N 3.34Å; L303-S305 PolarHBondContact O-N 2.9Å; L303-S305 VanDerWaalsContact O-N 3.16Å | ||
| 304 | P | 34 | Very low | 55.6 | Low | 95 Ų | 95 | 63 Ų | 63 | 62% | 0.617 | 41% | 0.411 | S | S | * | . | trans | -94.9 | 73.1 | -179.7 | 32.9 | -18.2 | 0 | 0 | 0 | 108.3 | I302 | I302-P304 WeakPolarHBondContact O-CD 3.49Å; I302-P304 VanDerWaalsContact O-N 3.1Å | ||
| 305 | S | 36.2 | Very low | 54.7 | Low | 85 Ų | 85 | 73.5 Ų | 73.5 | 59% | 0.594 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -156.1 | 101.2 | 155.6 | 59.1 | 0 | 0 | 0 | 0 | 107.6 | L303 G307 | L303-S305 VanDerWaalsContact C-N 3.34Å; L303-S305 PolarHBondContact O-N 2.9Å; L303-S305 VanDerWaalsContact O-N 3.16Å; S305-G307 PolarHBondContact O-N 3.49Å |
| 306 | T | 35.1 | Very low | 54.1 | Low | 160 Ų | 160 | 76.2 Ų | 76.2 | 98% | 0.982 | 46% | 0.464 | S | S | * | . | S | Bend | trans | 70.7 | 12.4 | 165.3 | 64.3 | 0 | 0 | 0 | 0 | 119.8 | ||
| 307 | G | 34.6 | Very low | 54.1 | Low | 48 Ų | 48 | 78.5 Ų | 78.5 | 50% | 0.495 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -117.5 | 154.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S305 | S305-G307 PolarHBondContact O-N 3.49Š|
| 308 | P | 39.3 | Very low | 54.3 | Low | 77 Ų | 77 | 80.8 Ų | 80.8 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | trans | -65.4 | 155.4 | 172.9 | 27.8 | -31 | 0 | 0 | 0 | 111 | T310 D376 | P308-T310 HydrophobicContact CG-CG2 4.39Å; P308-T310 WeakPolarHBondContact O-CG2 3.33Å; P308-T310 PolarHBondContact O-N 2.98Å; P308-D376 HydrophobicContact CB-CB 3.8Å; P308-D376 HydrophobicContact CG-CB 4.2Å; P308-D376 WeakPolarHBondContact CG-OD2 3.24Å | ||
| 309 | I | 48.1 | Very low | 54.6 | Low | 41 Ų | 41 | 83.8 Ų | 83.8 | 21% | 0.21 | 50% | 0.498 | C | S | . | . | trans | -69.6 | 88.6 | -176.1 | -58.6 | 169.3 | 0 | 0 | 0 | 109 | L296 I302 S311 V380 | L296-I309 HydrophobicContact CB-CD1 4.35Å; L296-I309 HydrophobicContact CD1-CD1 4.35Å; I302-I309 HydrophobicContact CD1-CG2 3.96Å; I302-I309 HydrophobicContact CG1-CG2 4.18Å; I302-I309 HydrophobicContact CG2-CG1 4.28Å; I302-I309 HydrophobicContact CG2-CG2 4.15Å; I309-S311 PolarHBondContact O-N 3.21Å; I309-V380 HydrophobicContact CB-CG2 4.05Å; I309-V380 HydrophobicContact CD1-CG2 4.14Å; I309-V380 HydrophobicContact CG2-CG2 4.29Å | ||
| 310 | T | 44.1 | Very low | 55.3 | Low | 92 Ų | 92 | 83.4 Ų | 83.4 | 56% | 0.564 | 50% | 0.495 | S | S | * | . | trans | -87.6 | 91.6 | -176.9 | 55.5 | 0 | 0 | 0 | 0 | 110.5 | P308 | P308-T310 HydrophobicContact CG-CG2 4.39Å; P308-T310 WeakPolarHBondContact O-CG2 3.33Å; P308-T310 PolarHBondContact O-N 2.98Å | ||
| 311 | S | 52.8 | Low | 56.8 | Low | 92 Ų | 92 | 80.2 Ų | 80.2 | 64% | 0.643 | 47% | 0.473 | S | S | * | . | trans | 69.3 | 123.6 | 173.8 | 77.3 | 0 | 0 | 0 | 0 | 116.6 | I309 | I309-S311 PolarHBondContact O-N 3.21Š| ||
| 312 | I | 60.2 | Low | 58.7 | Low | 14 Ų | 14 | 79.2 Ų | 79.2 | 7% | 0.072 | 45% | 0.454 | C | S | . | . | trans | -90.9 | 137.5 | 171.9 | -55.7 | 152.5 | 0 | 0 | 0 | 106.5 | L296 I302 P314 Q317 F383 | L296-I312 HydrophobicContact CD1-CD1 4.25Å; L296-I312 HydrophobicContact CD2-CD1 3.28Å; L296-I312 HydrophobicContact CD2-CG1 3.76Å; L296-I312 HydrophobicContact CG-CD1 4.41Å; I302-I312 HydrophobicContact CD1-CG1 4.41Å; I312-P314 WeakPolarHBondContact O-CD 3.36Å; I312-Q317 HydrophobicContact CB-CG 4.02Å; I312-Q317 HydrophobicContact CG2-CG 3.58Å; I312-F383 HydrophobicContact CD1-CB 4.02Å; I312-F383 HydrophobicContact CD1-CD1 4.46Å; I312-F383 HydrophobicContact CD1-CD2 4.1Å; I312-F383 HydrophobicContact CD1-CG 3.94Å | ||
| 313 | D | 62.1 | Low | 60.5 | Low | 64 Ų | 64 | 81.3 Ų | 81.3 | 34% | 0.342 | 47% | 0.468 | S | S | . | . | trans | -53.5 | 115.5 | 177.7 | -174.9 | -15.9 | 0 | 0 | 0 | 110.3 | R315 I316 Q317 | D313-R315 PolarHBondContact O-N 2.98Å; D313-R315 WeakPolarHBondContact OD1-CB 3.3Å; D313-R315 WeakPolarHBondContact OD1-CG 3.3Å; D313-R315 PolarHBondContact OD1-N 3.11Å; D313-I316 HydrophobicContact CB-CB 4.46Å; D313-I316 HydrophobicContact CB-CD1 3.99Å; D313-I316 HydrophobicContact CB-CG1 4.07Å; D313-I316 PolarHBondContact O-N 3.25Å; D313-Q317 PolarHBondContact O-N 2.97Å | ||
| 314 | P | 67 | Low | 63.2 | Low | 95 Ų | 95 | 74.6 Ų | 74.6 | 62% | 0.617 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -19.7 | -175.8 | 24.8 | -34.3 | 0 | 0 | 0 | 112.4 | I312 P318 | I312-P314 WeakPolarHBondContact O-CD 3.36Å; P314-P318 VanDerWaalsContact O-CD 3.27Å; P314-P318 WeakPolarHBondContact O-CD 3.46Å |
| 315 | R | 67.2 | Low | 65.8 | Low | 219 Ų | 219 | 70.1 Ų | 70.1 | 83% | 0.826 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -28.1 | 177 | -55.7 | 175.1 | -163.7 | 175.9 | 6.1 | 112.5 | D313 | D313-R315 PolarHBondContact O-N 2.98Å; D313-R315 WeakPolarHBondContact OD1-CB 3.3Å; D313-R315 WeakPolarHBondContact OD1-CG 3.3Å; D313-R315 PolarHBondContact OD1-N 3.11Å |
| 316 | I | 71.5 | Confident | 68.3 | Low | 62 Ų | 62 | 69.6 Ų | 69.6 | 32% | 0.318 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -28.9 | -176.7 | -54.7 | 177.8 | 0 | 0 | 0 | 110.6 | P300 D313 K319 M320 | P300-I316 HydrophobicContact CG-CD1 4.49Å; D313-I316 HydrophobicContact CB-CB 4.46Å; D313-I316 HydrophobicContact CB-CD1 3.99Å; D313-I316 HydrophobicContact CB-CG1 4.07Å; D313-I316 PolarHBondContact O-N 3.25Å; I316-K319 PolarHBondContact O-N 3.06Å; I316-M320 PolarHBondContact O-N 3.21Å |
| 317 | Q | 79 | Confident | 70.8 | Confident | 48 Ų | 48 | 65.8 Ų | 65.8 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -50.1 | -51.2 | -176.3 | -86.6 | -167.7 | -9 | 0 | 0 | 114.6 | I312 D313 K319 M320 I321 F383 | I312-Q317 HydrophobicContact CB-CG 4.02Å; I312-Q317 HydrophobicContact CG2-CG 3.58Å; D313-Q317 PolarHBondContact O-N 2.97Å; Q317-K319 VanDerWaalsContact C-N 3.32Å; Q317-K319 PolarHBondContact O-N 3.03Å; Q317-M320 PolarHBondContact O-N 3.09Å; Q317-M320 VanDerWaalsContact O-N 3.14Å; Q317-I321 HydrophobicContact CB-CD1 4.48Å; Q317-I321 WeakPolarHBondContact O-CB 3.24Å; Q317-I321 VanDerWaalsContact O-CG1 3.26Å; Q317-I321 WeakPolarHBondContact O-CG1 3.34Å; Q317-I321 PolarHBondContact O-N 3.43Å; Q317-F383 HydrophobicContact CG-CD2 4.25Å; Q317-F383 HydrophobicContact CG-CE2 4.45Å |
| 318 | P | 81.3 | Confident | 73.4 | Confident | 80 Ų | 80 | 63.6 Ų | 63.6 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | -176 | -24.8 | 34.1 | 0 | 0 | 0 | 112.6 | P314 I321 S322 | P314-P318 VanDerWaalsContact O-CD 3.27Å; P314-P318 WeakPolarHBondContact O-CD 3.46Å; P318-I321 PolarHBondContact O-N 2.88Å; P318-S322 PolarHBondContact O-N 2.78Å |
| 319 | K | 79.9 | Confident | 75.6 | Confident | 133 Ų | 133 | 60.3 Ų | 60.3 | 58% | 0.578 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.9 | -41.5 | 177.8 | -169.6 | 171.9 | -175.7 | 173.6 | 0 | 111.1 | I316 Q317 S322 T323 | I316-K319 PolarHBondContact O-N 3.06Å; Q317-K319 VanDerWaalsContact C-N 3.32Å; Q317-K319 PolarHBondContact O-N 3.03Å; K319-S322 PolarHBondContact O-N 3.31Å; K319-T323 VanDerWaalsContact O-CG2 3.32Å; K319-T323 WeakPolarHBondContact O-CG2 3.38Å; K319-T323 PolarHBondContact O-N 3.04Å; K319-T323 PolarHBondContact O-OG1 3.08Å |
| 320 | M | 83.6 | Confident | 77.4 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 9% | 0.089 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 177.2 | -167.3 | 179.7 | -179.2 | 0 | 0 | 111.4 | S295 L296 C299 I316 Q317 S322 T323 L324 F383 | S295-M320 VanDerWaalsContact CB-CE 3.43Å; S295-M320 WeakPolarHBondContact O-CE 3.31Å; L296-M320 HydrophobicContact CD2-CE 4.04Å; L296-M320 HydrophobicContact CD2-SD 4.36Å; C299-M320 VanDerWaalsContact SG-CE 3.51Å; C299-M320 PolarHBondContact SG-SD 3.37Å; I316-M320 PolarHBondContact O-N 3.21Å; Q317-M320 PolarHBondContact O-N 3.09Å; Q317-M320 VanDerWaalsContact O-N 3.14Å; M320-S322 PolarHBondContact O-N 3.3Å; M320-T323 WeakPolarHBondContact CA-OG1 3.24Å; M320-T323 PolarHBondContact O-N 3.34Å; M320-T323 PolarHBondContact O-OG1 3.15Å; M320-L324 HydrophobicContact CE-CD1 4.12Å; M320-L324 HydrophobicContact CG-CD1 3.97Å; M320-L324 HydrophobicContact CG-CG 4.45Å; M320-L324 WeakPolarHBondContact O-CG 3.37Å; M320-L324 PolarHBondContact O-N 3.22Å; M320-F383 HydrophobicContact CB-CE2 4.43Å; M320-F383 HydrophobicContact CB-CZ 4.44Å; M320-F383 HydrophobicContact CE-CE1 4.41Å; M320-F383 HydrophobicContact CE-CZ 3.97Å; M320-F383 HydrophobicContact CG-CE2 4.33Å; M320-F383 HydrophobicContact CG-CZ 3.89Å; M320-F383 HydrophobicContact SD-CE2 4.04Å; M320-F383 HydrophobicContact SD-CZ 3.61Å |
| 321 | I | 86.8 | Confident | 79.2 | Confident | 21 Ų | 21 | 59.2 Ų | 59.2 | 11% | 0.108 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55.3 | -51.8 | 175.5 | -72.3 | 163.2 | 0 | 0 | 0 | 110.3 | Q317 P318 T323 L324 A325 F383 N386 V387 K390 | Q317-I321 HydrophobicContact CB-CD1 4.48Å; Q317-I321 WeakPolarHBondContact O-CB 3.24Å; Q317-I321 VanDerWaalsContact O-CG1 3.26Å; Q317-I321 WeakPolarHBondContact O-CG1 3.34Å; Q317-I321 PolarHBondContact O-N 3.43Å; P318-I321 PolarHBondContact O-N 2.88Å; I321-T323 PolarHBondContact O-N 3.44Å; I321-L324 PolarHBondContact O-N 2.72Å; I321-A325 VanDerWaalsContact O-CB 3.28Å; I321-A325 WeakPolarHBondContact O-CB 3.42Å; I321-A325 PolarHBondContact O-N 3.09Å; I321-F383 HydrophobicContact CD1-CD2 4.32Å; I321-F383 HydrophobicContact CD1-CE2 4.36Å; I321-F383 HydrophobicContact CG1-CD2 4.04Å; I321-F383 HydrophobicContact CG1-CE2 3.67Å; I321-F383 HydrophobicContact CG1-CZ 4.47Å; I321-N386 HydrophobicContact CD1-CB 3.83Å; I321-N386 HydrophobicContact CG1-CB 4.49Å; I321-V387 HydrophobicContact CB-CG2 4.36Å; I321-V387 HydrophobicContact CG1-CG2 3.95Å; I321-V387 HydrophobicContact CG2-CG2 4.43Å; I321-K390 HydrophobicContact CG2-CB 3.73Å; I321-K390 HydrophobicContact CG2-CG 4.12Å |
| 322 | S | 88 | Confident | 80.4 | Confident | 51 Ų | 51 | 55.2 Ų | 55.2 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 177.2 | 173.9 | 0 | 0 | 0 | 0 | 112.3 | P318 K319 M320 A325 N326 | P318-S322 PolarHBondContact O-N 2.78Å; K319-S322 PolarHBondContact O-N 3.31Å; M320-S322 PolarHBondContact O-N 3.3Å; S322-A325 PolarHBondContact O-N 3.06Å; S322-N326 WeakPolarHBondContact O-CB 3.45Å; S322-N326 PolarHBondContact O-N 3.1Å |
| 323 | T | 85.4 | Confident | 81 | Confident | 67 Ų | 67 | 58.1 Ų | 58.1 | 41% | 0.411 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 179.7 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | K319 M320 I321 N326 I327 | K319-T323 VanDerWaalsContact O-CG2 3.32Å; K319-T323 WeakPolarHBondContact O-CG2 3.38Å; K319-T323 PolarHBondContact O-N 3.04Å; K319-T323 PolarHBondContact O-OG1 3.08Å; M320-T323 WeakPolarHBondContact CA-OG1 3.24Å; M320-T323 PolarHBondContact O-N 3.34Å; M320-T323 PolarHBondContact O-OG1 3.15Å; I321-T323 PolarHBondContact O-N 3.44Å; T323-N326 PolarHBondContact O-N 2.91Å; T323-I327 VanDerWaalsContact O-CG1 3.31Å; T323-I327 WeakPolarHBondContact O-CG1 3.46Å; T323-I327 PolarHBondContact O-N 2.95Å |
| 324 | L | 90.4 | Very high | 81.5 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.5 | -38.8 | 178.2 | -68.6 | 171.9 | 0 | 0 | 0 | 111.1 | L292 S295 M320 I321 N326 I327 L328 F383 V387 | L292-L324 HydrophobicContact CD2-CB 4.33Å; L292-L324 HydrophobicContact CD2-CD1 3.81Å; L292-L324 HydrophobicContact CD2-CG 4.49Å; S295-L324 VanDerWaalsContact OG-CD2 3.3Å; S295-L324 WeakPolarHBondContact OG-CD2 3.29Å; M320-L324 HydrophobicContact CE-CD1 4.12Å; M320-L324 HydrophobicContact CG-CD1 3.97Å; M320-L324 HydrophobicContact CG-CG 4.45Å; M320-L324 WeakPolarHBondContact O-CG 3.37Å; M320-L324 PolarHBondContact O-N 3.22Å; I321-L324 PolarHBondContact O-N 2.72Å; L324-N326 VanDerWaalsContact C-N 3.32Å; L324-N326 PolarHBondContact O-N 3.36Å; L324-I327 HydrophobicContact CD2-CD1 4.37Å; L324-I327 PolarHBondContact O-N 3.47Å; L324-L328 WeakPolarHBondContact O-CG 3.23Å; L324-L328 PolarHBondContact O-N 2.7Å; L324-F383 HydrophobicContact CD1-CE1 3.98Å; L324-F383 HydrophobicContact CD1-CZ 3.72Å; L324-V387 HydrophobicContact CB-CG1 3.96Å; L324-V387 HydrophobicContact CB-CG2 4.46Å; L324-V387 HydrophobicContact CD1-CG2 4.24Å |
| 325 | A | 88.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I321 S322 I327 L328 T329 K390 T391 D394 | I321-A325 VanDerWaalsContact O-CB 3.28Å; I321-A325 WeakPolarHBondContact O-CB 3.42Å; I321-A325 PolarHBondContact O-N 3.09Å; S322-A325 PolarHBondContact O-N 3.06Å; A325-I327 PolarHBondContact O-N 2.95Å; A325-L328 PolarHBondContact O-N 3.37Å; A325-T329 WeakPolarHBondContact O-CB 3.2Å; A325-T329 VanDerWaalsContact O-CG2 3.3Å; A325-T329 WeakPolarHBondContact O-CG2 3.42Å; A325-T329 PolarHBondContact O-N 2.86Å; A325-T329 PolarHBondContact O-OG1 2.91Å; A325-K390 HydrophobicContact CB-CB 3.96Å; A325-K390 HydrophobicContact CB-CG 3.66Å; A325-T391 VanDerWaalsContact CA-CG2 3.45Å; A325-T391 HydrophobicContact CB-CG2 3.68Å; A325-D394 WeakPolarHBondContact CB-OD2 3.48Å |
| 326 | N | 89.1 | Confident | 81.6 | Confident | 75 Ų | 75 | 50 Ų | 50 | 40% | 0.401 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 173.6 | -173.3 | 41.6 | 0 | 0 | 0 | 111.8 | S322 T323 L324 T329 T330 K398 | S322-N326 WeakPolarHBondContact O-CB 3.45Å; S322-N326 PolarHBondContact O-N 3.1Å; T323-N326 PolarHBondContact O-N 2.91Å; L324-N326 VanDerWaalsContact C-N 3.32Å; L324-N326 PolarHBondContact O-N 3.36Å; N326-T329 WeakPolarHBondContact CA-OG1 3.44Å; N326-T329 CarbonylContact O-C 3.31Å; N326-T329 PolarHBondContact O-N 2.89Å; N326-T329 PolarHBondContact O-OG1 3.04Å; N326-T329 VanDerWaalsContact O-OG1 3.09Å; N326-T330 PolarHBondContact O-N 2.57Å; N326-T330 VanDerWaalsContact O-N 3.08Å; N326-T330 PolarHBondContact O-OG1 3.03Å; N326-K398 PolarHBondContact OD1-NZ 3Å |
| 327 | I | 86.8 | Confident | 80.7 | Confident | 79 Ų | 79 | 53.9 Ų | 53.9 | 41% | 0.405 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61 | -48.2 | 176.8 | -70.3 | 163.6 | 0 | 0 | 0 | 111.1 | L291 T323 L324 A325 T329 T330 | L291-I327 HydrophobicContact CD2-CG2 4.3Å; T323-I327 VanDerWaalsContact O-CG1 3.31Å; T323-I327 WeakPolarHBondContact O-CG1 3.46Å; T323-I327 PolarHBondContact O-N 2.95Å; L324-I327 HydrophobicContact CD2-CD1 4.37Å; L324-I327 PolarHBondContact O-N 3.47Å; A325-I327 PolarHBondContact O-N 2.95Å; I327-T329 PolarHBondContact O-N 2.76Å; I327-T330 PolarHBondContact O-N 3.09Å; I327-T330 VanDerWaalsContact O-N 3.15Å |
| 328 | L | 89.1 | Confident | 79.3 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.8 | -21.1 | -179.1 | -70.5 | 171.1 | 0 | 0 | 0 | 113.2 | L266 V288 L291 L324 A325 F352 V355 L359 V387 T391 | L266-L328 HydrophobicContact CD1-CD2 4Å; L266-L328 HydrophobicContact CD2-CD2 3.96Å; V288-L328 HydrophobicContact CG1-CD1 4.07Å; V288-L328 HydrophobicContact CG1-CD2 4.25Å; V288-L328 HydrophobicContact CG2-CD2 4.1Å; L291-L328 HydrophobicContact CD2-CD2 4.07Å; L324-L328 WeakPolarHBondContact O-CG 3.23Å; L324-L328 PolarHBondContact O-N 2.7Å; A325-L328 PolarHBondContact O-N 3.37Å; L328-F352 WeakPolarHBondContact O-CE1 3.31Å; L328-V355 HydrophobicContact CD2-CG1 4.34Å; L328-L359 HydrophobicContact CD1-CD2 4.29Å; L328-V387 HydrophobicContact CD1-CG1 4.02Å; L328-T391 HydrophobicContact CB-CG2 3.75Å; L328-T391 HydrophobicContact CD1-CG2 3.72Å; L328-T391 HydrophobicContact CG-CG2 4.37Å |
| 329 | T | 86 | Confident | 77.6 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 4.9 | 178.1 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | A325 N326 I327 T391 D394 L395 K398 | A325-T329 WeakPolarHBondContact O-CB 3.2Å; A325-T329 VanDerWaalsContact O-CG2 3.3Å; A325-T329 WeakPolarHBondContact O-CG2 3.42Å; A325-T329 PolarHBondContact O-N 2.86Å; A325-T329 PolarHBondContact O-OG1 2.91Å; N326-T329 WeakPolarHBondContact CA-OG1 3.44Å; N326-T329 CarbonylContact O-C 3.31Å; N326-T329 PolarHBondContact O-N 2.89Å; N326-T329 PolarHBondContact O-OG1 3.04Å; N326-T329 VanDerWaalsContact O-OG1 3.09Å; I327-T329 PolarHBondContact O-N 2.76Å; T329-T391 HydrophobicContact CG2-CG2 4.46Å; T329-D394 HydrophobicContact CG2-CB 4.04Å; T329-L395 HydrophobicContact CG2-CB 3.81Å; T329-L395 HydrophobicContact CG2-CD1 4.18Å; T329-K398 PolarHBondContact OG1-NZ 3.22Å |
| 330 | T | 85.8 | Confident | 76.2 | Confident | 69 Ų | 69 | 54.5 Ų | 54.5 | 42% | 0.423 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -91.3 | 132.7 | 177.2 | -57.4 | 0 | 0 | 0 | 0 | 110.4 | N326 I327 P332 | N326-T330 PolarHBondContact O-N 2.57Å; N326-T330 VanDerWaalsContact O-N 3.08Å; N326-T330 PolarHBondContact O-OG1 3.03Å; I327-T330 PolarHBondContact O-N 3.09Å; I327-T330 VanDerWaalsContact O-N 3.15Å; T330-P332 WeakPolarHBondContact O-CD 3.44Å |
| 331 | V | 81.9 | Confident | 74.7 | Confident | 41 Ų | 41 | 57.2 Ų | 57.2 | 25% | 0.248 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 123.4 | 179.2 | -166.4 | 0 | 0 | 0 | 0 | 110.3 | V335 Y348 F352 | V331-V335 HydrophobicContact CG1-CB 4.32Å; V331-V335 HydrophobicContact CG1-CG1 4.47Å; V331-Y348 HydrophobicContact CB-CE2 4.44Å; V331-Y348 HydrophobicContact CG1-CD2 3.85Å; V331-Y348 HydrophobicContact CG1-CE2 4.14Å; V331-Y348 HydrophobicContact CG2-CD2 4.07Å; V331-Y348 HydrophobicContact CG2-CE2 3.47Å; V331-Y348 VanDerWaalsContact CG2-CE2 3.47Å; V331-F352 HydrophobicContact CG2-CE2 4.24Å; V331-F352 HydrophobicContact CG2-CZ 4.32Å |
| 332 | P | 79.5 | Confident | 73 | Confident | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 142.2 | 177 | -18 | 30.5 | 0 | 0 | 0 | 112.8 | T330 F334 V335 Y351 | T330-P332 WeakPolarHBondContact O-CD 3.44Å; P332-F334 HydrophobicContact CB-CD1 3.64Å; P332-F334 HydrophobicContact CB-CE1 3.34Å; P332-F334 HydrophobicContact CB-CZ 4.03Å; P332-F334 HydrophobicContact CG-CE1 3.94Å; P332-F334 HydrophobicContact CG-CZ 4.24Å; P332-F334 PolarHBondContact O-N 3.29Å; P332-F334 VanDerWaalsContact O-N 3.09Å; P332-V335 HydrophobicContact CB-CG2 4.24Å; P332-V335 HydrophobicContact CG-CG2 4.29Å; P332-V335 WeakPolarHBondContact O-CB 3.23Å; P332-V335 PolarHBondContact O-N 2.99Å; P332-V335 VanDerWaalsContact O-N 3.09Å; P332-Y351 HydrophobicContact CG-CD1 4.27Å; P332-Y351 HydrophobicContact CG-CD2 4.29Å; P332-Y351 HydrophobicContact CG-CE1 3.7Å; P332-Y351 HydrophobicContact CG-CE2 3.74Å; P332-Y351 VanDerWaalsContact CG-CZ 3.41Å |
| 333 | E | 72.6 | Confident | 71.4 | Confident | 75 Ų | 75 | 62.5 Ų | 62.5 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -53.4 | -34.7 | 179.4 | -78.1 | -174.2 | 168.3 | 0 | 0 | 113.7 | K256 R260 V335 H336 | K256-E333 IonicContact NZ-OE1 3.81Å; K256-E333 PolarHBondContact NZ-OE1 3.25Å; R260-E333 IonicContact CZ-OE2 3.38Å; R260-E333 IonicContact NE-OE2 3Å; R260-E333 PolarHBondContact NE-OE2 3.09Å; R260-E333 VanDerWaalsContact NE-OE2 3.15Å; R260-E333 IonicContact NH2-OE2 2.75Å; R260-E333 PolarHBondContact NH2-OE2 2.57Å; E333-V335 PolarHBondContact O-N 3.3Å; E333-H336 PolarHBondContact O-N 2.83Å |
| 334 | F | 72.5 | Confident | 69.8 | Low | 74 Ų | 74 | 60.9 Ų | 60.9 | 33% | 0.325 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -69.9 | -18.5 | -175.9 | 70.5 | -97 | 0 | 0 | 0 | 113.7 | R264 P332 H336 Y351 | R264-F334 HydrophobicContact CG-CE1 4.29Å; P332-F334 HydrophobicContact CB-CD1 3.64Å; P332-F334 HydrophobicContact CB-CE1 3.34Å; P332-F334 HydrophobicContact CB-CZ 4.03Å; P332-F334 HydrophobicContact CG-CE1 3.94Å; P332-F334 HydrophobicContact CG-CZ 4.24Å; P332-F334 PolarHBondContact O-N 3.29Å; P332-F334 VanDerWaalsContact O-N 3.09Å; F334-H336 VanDerWaalsContact C-N 3.27Å; F334-Y351 HydrophobicContact CZ-CD2 4.2Å; F334-Y351 HydrophobicContact CZ-CE2 4.22Å |
| 335 | V | 70.3 | Confident | 68.2 | Low | 9 Ų | 9 | 66.3 Ų | 66.3 | 6% | 0.055 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -70.1 | -29.6 | 176.1 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | V331 P332 E333 H337 S347 | V331-V335 HydrophobicContact CG1-CB 4.32Å; V331-V335 HydrophobicContact CG1-CG1 4.47Å; P332-V335 HydrophobicContact CB-CG2 4.24Å; P332-V335 HydrophobicContact CG-CG2 4.29Å; P332-V335 WeakPolarHBondContact O-CB 3.23Å; P332-V335 PolarHBondContact O-N 2.99Å; P332-V335 VanDerWaalsContact O-N 3.09Å; E333-V335 PolarHBondContact O-N 3.3Å; V335-H337 VanDerWaalsContact C-N 3.32Å; V335-H337 PolarHBondContact O-N 3.31Å; V335-S347 WeakPolarHBondContact CG1-OG 3.47Å |
| 336 | H | 64.6 | Low | 67.1 | Low | 123 Ų | 123 | 69.7 Ų | 69.7 | 57% | 0.569 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -77.6 | -8.6 | -179.6 | -66.6 | -65.4 | 0 | 0 | 0 | 114.9 | E333 F334 S338 | E333-H336 PolarHBondContact O-N 2.83Å; F334-H336 VanDerWaalsContact C-N 3.27Å; H336-S338 VanDerWaalsContact C-N 3.33Å; H336-S338 PolarHBondContact O-N 3.05Å |
| 337 | H | 53.5 | Low | 66.3 | Low | 144 Ų | 144 | 68 Ų | 68 | 67% | 0.667 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -88.1 | 11.9 | -172.8 | -72.3 | -47.3 | 0 | 0 | 0 | 115.2 | V335 | V335-H337 VanDerWaalsContact C-N 3.32Å; V335-H337 PolarHBondContact O-N 3.31Å |
| 338 | S | 49.7 | Very low | 65.9 | Low | 43 Ų | 43 | 65.8 Ų | 65.8 | 30% | 0.301 | 38% | 0.375 | S | S | . | . | trans | -85.6 | 122.1 | 167.3 | 62.6 | 0 | 0 | 0 | 0 | 109.6 | H336 N340 S344 | H336-S338 VanDerWaalsContact C-N 3.33Å; H336-S338 PolarHBondContact O-N 3.05Å; S338-N340 PolarHBondContact O-N 3.5Å; S338-S344 VanDerWaalsContact OG-CA 3.23Å; S338-S344 WeakPolarHBondContact OG-CA 3.4Å; S338-S344 WeakPolarHBondContact OG-CB 3.37Å; S338-S344 PolarHBondContact OG-N 3.45Å | ||
| 339 | S | 45.5 | Very low | 65.4 | Low | 124 Ų | 124 | 70.2 Ų | 70.2 | 87% | 0.867 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -69.1 | -0.7 | -175 | 53.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 340 | N | 50.1 | Low | 65.3 | Low | 108 Ų | 108 | 76.8 Ų | 76.8 | 58% | 0.578 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -114.5 | 122.7 | 177.8 | -76.8 | -2.1 | 0 | 0 | 0 | 109.8 | S338 L342 A343 S344 | S338-N340 PolarHBondContact O-N 3.5Å; N340-L342 VanDerWaalsContact C-N 3.31Å; N340-L342 PolarHBondContact O-N 3.13Å; N340-A343 HydrophobicContact CB-CB 3.88Å; N340-A343 WeakPolarHBondContact O-CB 3.29Å; N340-A343 PolarHBondContact O-N 2.88Å; N340-S344 PolarHBondContact O-N 2.84Å |
| 341 | A | 52.2 | Low | 65.3 | Low | 74 Ų | 74 | 74.1 Ų | 74.1 | 61% | 0.612 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -53.2 | -45.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A343 S344 E345 | A341-A343 VanDerWaalsContact C-N 3.34Å; A341-A343 PolarHBondContact O-N 3.23Å; A341-S344 WeakPolarHBondContact O-CB 3.49Å; A341-S344 PolarHBondContact O-N 3.02Å; A341-S344 VanDerWaalsContact O-N 3.09Å; A341-S344 PolarHBondContact O-OG 3.26Å; A341-E345 PolarHBondContact O-N 3.34Å; A341-E345 VanDerWaalsContact O-N 3.13Å |
| 342 | L | 52.1 | Low | 65.5 | Low | 144 Ų | 144 | 72.2 Ų | 72.2 | 75% | 0.754 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.2 | -34.9 | 176.4 | -71.4 | 162 | 0 | 0 | 0 | 113.5 | N340 S344 S346 | N340-L342 VanDerWaalsContact C-N 3.31Å; N340-L342 PolarHBondContact O-N 3.13Å; L342-S344 VanDerWaalsContact C-N 3.33Å; L342-S346 PolarHBondContact O-N 3.16Å |
| 343 | A | 52.9 | Low | 65.9 | Low | 39 Ų | 39 | 73.6 Ų | 73.6 | 32% | 0.322 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -72.2 | -32.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | N340 A341 S346 S347 | N340-A343 HydrophobicContact CB-CB 3.88Å; N340-A343 WeakPolarHBondContact O-CB 3.29Å; N340-A343 PolarHBondContact O-N 2.88Å; A341-A343 VanDerWaalsContact C-N 3.34Å; A341-A343 PolarHBondContact O-N 3.23Å; A343-S346 PolarHBondContact O-OG 3.19Å; A343-S347 WeakPolarHBondContact O-CB 3.24Å; A343-S347 PolarHBondContact O-N 3.04Å; A343-S347 VanDerWaalsContact O-N 3.08Å; A343-S347 PolarHBondContact O-OG 3.35Å |
| 344 | S | 53.4 | Low | 66.5 | Low | 34 Ų | 34 | 72.8 Ų | 72.8 | 24% | 0.238 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.7 | -41.8 | 179.2 | 79.6 | 0 | 0 | 0 | 0 | 112.5 | S338 N340 A341 L342 S347 Y348 | S338-S344 VanDerWaalsContact OG-CA 3.23Å; S338-S344 WeakPolarHBondContact OG-CA 3.4Å; S338-S344 WeakPolarHBondContact OG-CB 3.37Å; S338-S344 PolarHBondContact OG-N 3.45Å; N340-S344 PolarHBondContact O-N 2.84Å; A341-S344 WeakPolarHBondContact O-CB 3.49Å; A341-S344 PolarHBondContact O-N 3.02Å; A341-S344 VanDerWaalsContact O-N 3.09Å; A341-S344 PolarHBondContact O-OG 3.26Å; L342-S344 VanDerWaalsContact C-N 3.33Å; S344-S347 WeakPolarHBondContact CA-OG 3.15Å; S344-S347 PolarHBondContact O-N 2.86Å; S344-S347 PolarHBondContact O-OG 2.64Å; S344-Y348 WeakPolarHBondContact O-CB 3.41Å; S344-Y348 PolarHBondContact O-N 2.78Å |
| 345 | E | 56.6 | Low | 67.3 | Low | 119 Ų | 119 | 69.3 Ų | 69.3 | 56% | 0.556 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.3 | -46.5 | 174.7 | -75.4 | 173.2 | 177.9 | 0 | 0 | 111.5 | A341 S347 Y348 E349 | A341-E345 PolarHBondContact O-N 3.34Å; A341-E345 VanDerWaalsContact O-N 3.13Å; E345-S347 PolarHBondContact O-N 3.47Å; E345-Y348 WeakPolarHBondContact O-CB 3.35Å; E345-Y348 PolarHBondContact O-N 3.01Å; E345-E349 PolarHBondContact O-N 3.02Å |
| 346 | S | 65.9 | Low | 68.1 | Low | 70 Ų | 70 | 69 Ų | 69 | 49% | 0.49 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.3 | -33.8 | 176.2 | 75.9 | 0 | 0 | 0 | 0 | 112.9 | L342 A343 K350 | L342-S346 PolarHBondContact O-N 3.16Å; A343-S346 PolarHBondContact O-OG 3.19Å; S346-K350 WeakPolarHBondContact O-CB 3.37Å; S346-K350 PolarHBondContact O-N 2.7Å |
| 347 | S | 70.8 | Confident | 69.2 | Low | 39 Ų | 39 | 67.4 Ų | 67.4 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -77.5 | -32.2 | 178.9 | 73.1 | 0 | 0 | 0 | 0 | 112.9 | V335 A343 S344 E345 Y351 | V335-S347 WeakPolarHBondContact CG1-OG 3.47Å; A343-S347 WeakPolarHBondContact O-CB 3.24Å; A343-S347 PolarHBondContact O-N 3.04Å; A343-S347 VanDerWaalsContact O-N 3.08Å; A343-S347 PolarHBondContact O-OG 3.35Å; S344-S347 WeakPolarHBondContact CA-OG 3.15Å; S344-S347 PolarHBondContact O-N 2.86Å; S344-S347 PolarHBondContact O-OG 2.64Å; E345-S347 PolarHBondContact O-N 3.47Å; S347-Y351 WeakPolarHBondContact O-CB 3.46Å; S347-Y351 PolarHBondContact O-N 3.1Å |
| 348 | Y | 78.6 | Confident | 70.9 | Confident | 33 Ų | 33 | 60.7 Ų | 60.7 | 13% | 0.129 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65 | -52.3 | 172.9 | 173.6 | -82.8 | 0 | 0 | 0 | 110.6 | V331 S344 E345 K350 Y351 F352 I409 | V331-Y348 HydrophobicContact CB-CE2 4.44Å; V331-Y348 HydrophobicContact CG1-CD2 3.85Å; V331-Y348 HydrophobicContact CG1-CE2 4.14Å; V331-Y348 HydrophobicContact CG2-CD2 4.07Å; V331-Y348 HydrophobicContact CG2-CE2 3.47Å; V331-Y348 VanDerWaalsContact CG2-CE2 3.47Å; S344-Y348 WeakPolarHBondContact O-CB 3.41Å; S344-Y348 PolarHBondContact O-N 2.78Å; E345-Y348 WeakPolarHBondContact O-CB 3.35Å; E345-Y348 PolarHBondContact O-N 3.01Å; Y348-K350 VanDerWaalsContact C-N 3.31Å; Y348-K350 PolarHBondContact O-N 2.96Å; Y348-Y351 PolarHBondContact O-N 3.24Å; Y348-Y351 VanDerWaalsContact O-N 3.16Å; Y348-F352 AromaticContact CD1-CD2 3.94Å; Y348-F352 HydrophobicContact CD1-CD2 3.94Å; Y348-F352 HydrophobicContact CD1-CE2 4.38Å; Y348-F352 HydrophobicContact CD2-CD2 4.07Å; Y348-F352 AromaticContact CD2-CE2 3.72Å; Y348-F352 HydrophobicContact CD2-CE2 3.72Å; Y348-F352 AromaticContact CE1-CD2 3.59Å; Y348-F352 HydrophobicContact CE1-CD2 3.59Å; Y348-F352 AromaticContact CE1-CE2 3.92Å; Y348-F352 HydrophobicContact CE1-CE2 3.92Å; Y348-F352 AromaticContact CE2-CD2 3.82Å; Y348-F352 HydrophobicContact CE2-CD2 3.82Å; Y348-F352 AromaticContact CE2-CE2 3.28Å; Y348-F352 HydrophobicContact CE2-CE2 3.28Å; Y348-F352 HydrophobicContact CE2-CZ 4.31Å; Y348-F352 HydrophobicContact CG-CD2 4.13Å; Y348-F352 HydrophobicContact CG-CE2 4.26Å; Y348-F352 AromaticContact CZ-CD2 3.53Å; Y348-F352 AromaticContact CZ-CE2 3.34Å; Y348-F352 WeakPolarHBondContact O-CD2 3.4Å; Y348-F352 PolarHBondContact O-N 3.41Å; Y348-I409 HydrophobicContact CD1-CD1 3.74Å; Y348-I409 HydrophobicContact CE1-CD1 3.43Å; Y348-I409 VanDerWaalsContact CE1-CD1 3.43Å; Y348-I409 HydrophobicContact CE1-CG2 4.45Å |
| 349 | E | 79.3 | Confident | 72.8 | Confident | 96 Ų | 96 | 58.8 Ų | 58.8 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 178 | -74 | -172.9 | 163.7 | 0 | 0 | 111.5 | E345 Y351 F352 S353 I409 | E345-E349 PolarHBondContact O-N 3.02Å; E349-Y351 VanDerWaalsContact C-N 3.32Å; E349-Y351 PolarHBondContact O-N 3.08Å; E349-F352 PolarHBondContact O-N 2.87Å; E349-S353 VanDerWaalsContact O-CB 3.29Å; E349-S353 WeakPolarHBondContact O-CB 3.19Å; E349-S353 PolarHBondContact O-N 2.87Å; E349-S353 PolarHBondContact O-OG 2.98Å; E349-I409 HydrophobicContact CG-CD1 3.69Å; E349-I409 HydrophobicContact CG-CG1 4.26Å |
| 350 | K | 82.6 | Confident | 74.9 | Confident | 145 Ų | 145 | 54.3 Ų | 54.3 | 63% | 0.63 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.5 | -35.3 | 176.6 | -172.8 | 173.6 | -176.7 | 174 | 0 | 113.1 | S346 Y348 S353 L354 | S346-K350 WeakPolarHBondContact O-CB 3.37Å; S346-K350 PolarHBondContact O-N 2.7Å; Y348-K350 VanDerWaalsContact C-N 3.31Å; Y348-K350 PolarHBondContact O-N 2.96Å; K350-S353 WeakPolarHBondContact CA-OG 3.45Å; K350-S353 PolarHBondContact O-OG 3.09Å; K350-L354 WeakPolarHBondContact O-CG 3.21Å; K350-L354 PolarHBondContact O-N 3.42Å |
| 351 | Y | 85.9 | Confident | 76.6 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.9 | -52.2 | 175.5 | 176.6 | -97.1 | 0 | 0 | 0 | 110.8 | L266 V267 P332 F334 S347 Y348 E349 S353 L354 V355 | L266-Y351 VanDerWaalsContact CD2-OH 3.27Å; L266-Y351 WeakPolarHBondContact CD2-OH 3.49Å; V267-Y351 HydrophobicContact CB-CE2 4.45Å; V267-Y351 HydrophobicContact CG1-CD2 3.59Å; V267-Y351 HydrophobicContact CG1-CE2 3.4Å; V267-Y351 HydrophobicContact CG2-CD2 4.29Å; V267-Y351 HydrophobicContact CG2-CE2 4.22Å; P332-Y351 HydrophobicContact CG-CD1 4.27Å; P332-Y351 HydrophobicContact CG-CD2 4.29Å; P332-Y351 HydrophobicContact CG-CE1 3.7Å; P332-Y351 HydrophobicContact CG-CE2 3.74Å; P332-Y351 VanDerWaalsContact CG-CZ 3.41Å; F334-Y351 HydrophobicContact CZ-CD2 4.2Å; F334-Y351 HydrophobicContact CZ-CE2 4.22Å; S347-Y351 WeakPolarHBondContact O-CB 3.46Å; S347-Y351 PolarHBondContact O-N 3.1Å; Y348-Y351 PolarHBondContact O-N 3.24Å; Y348-Y351 VanDerWaalsContact O-N 3.16Å; E349-Y351 VanDerWaalsContact C-N 3.32Å; E349-Y351 PolarHBondContact O-N 3.08Å; Y351-S353 VanDerWaalsContact C-N 3.31Å; Y351-S353 PolarHBondContact O-N 2.92Å; Y351-L354 PolarHBondContact O-N 3.49Å; Y351-V355 HydrophobicContact CD1-CG2 4.49Å; Y351-V355 HydrophobicContact CE1-CG2 4.05Å; Y351-V355 PolarHBondContact O-N 3.01Å; Y351-V355 VanDerWaalsContact O-N 3.17Å |
| 352 | F | 86.7 | Confident | 78.2 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.7 | -28.9 | -178.7 | -76.1 | -68.4 | 0 | 0 | 0 | 112.7 | L328 V331 Y348 E349 V355 S356 L395 L413 | L328-F352 WeakPolarHBondContact O-CE1 3.31Å; V331-F352 HydrophobicContact CG2-CE2 4.24Å; V331-F352 HydrophobicContact CG2-CZ 4.32Å; Y348-F352 AromaticContact CD1-CD2 3.94Å; Y348-F352 HydrophobicContact CD1-CD2 3.94Å; Y348-F352 HydrophobicContact CD1-CE2 4.38Å; Y348-F352 HydrophobicContact CD2-CD2 4.07Å; Y348-F352 AromaticContact CD2-CE2 3.72Å; Y348-F352 HydrophobicContact CD2-CE2 3.72Å; Y348-F352 AromaticContact CE1-CD2 3.59Å; Y348-F352 HydrophobicContact CE1-CD2 3.59Å; Y348-F352 AromaticContact CE1-CE2 3.92Å; Y348-F352 HydrophobicContact CE1-CE2 3.92Å; Y348-F352 AromaticContact CE2-CD2 3.82Å; Y348-F352 HydrophobicContact CE2-CD2 3.82Å; Y348-F352 AromaticContact CE2-CE2 3.28Å; Y348-F352 HydrophobicContact CE2-CE2 3.28Å; Y348-F352 HydrophobicContact CE2-CZ 4.31Å; Y348-F352 HydrophobicContact CG-CD2 4.13Å; Y348-F352 HydrophobicContact CG-CE2 4.26Å; Y348-F352 AromaticContact CZ-CD2 3.53Å; Y348-F352 AromaticContact CZ-CE2 3.34Å; Y348-F352 WeakPolarHBondContact O-CD2 3.4Å; Y348-F352 PolarHBondContact O-N 3.41Å; E349-F352 PolarHBondContact O-N 2.87Å; F352-V355 PolarHBondContact O-N 3.36Å; F352-S356 WeakPolarHBondContact O-CB 3.32Å; F352-S356 PolarHBondContact O-N 3.27Å; F352-S356 PolarHBondContact O-OG 2.93Å; F352-L395 HydrophobicContact CD1-CD1 3.92Å; F352-L395 HydrophobicContact CD1-CD2 4.49Å; F352-L395 HydrophobicContact CE1-CD1 3.92Å; F352-L395 HydrophobicContact CG-CD1 4.47Å; F352-L395 HydrophobicContact CZ-CD1 4.47Å; F352-L413 HydrophobicContact CB-CD1 3.96Å |
| 353 | S | 87.1 | Confident | 79.8 | Confident | 38 Ų | 38 | 42.1 Ų | 42.1 | 27% | 0.266 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.1 | -43.3 | 173.5 | 70.4 | 0 | 0 | 0 | 0 | 111.5 | E349 K350 Y351 V355 S356 V357 | E349-S353 VanDerWaalsContact O-CB 3.29Å; E349-S353 WeakPolarHBondContact O-CB 3.19Å; E349-S353 PolarHBondContact O-N 2.87Å; E349-S353 PolarHBondContact O-OG 2.98Å; K350-S353 WeakPolarHBondContact CA-OG 3.45Å; K350-S353 PolarHBondContact O-OG 3.09Å; Y351-S353 VanDerWaalsContact C-N 3.31Å; Y351-S353 PolarHBondContact O-N 2.92Å; S353-V355 VanDerWaalsContact C-N 3.33Å; S353-V355 PolarHBondContact O-N 2.65Å; S353-S356 PolarHBondContact O-N 3.28Å; S353-V357 VanDerWaalsContact O-CG2 3.31Å; S353-V357 WeakPolarHBondContact O-CG2 3.28Å; S353-V357 PolarHBondContact O-N 2.79Å |
| 354 | L | 86 | Confident | 81.3 | Confident | 57 Ų | 57 | 43 Ų | 43 | 30% | 0.298 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.9 | -34 | 175.9 | -70.4 | 172.8 | 0 | 0 | 0 | 113.1 | V267 K350 Y351 Q358 | V267-L354 HydrophobicContact CB-CB 4.45Å; V267-L354 HydrophobicContact CB-CD1 4.15Å; V267-L354 HydrophobicContact CG1-CB 4.17Å; K350-L354 WeakPolarHBondContact O-CG 3.21Å; K350-L354 PolarHBondContact O-N 3.42Å; Y351-L354 PolarHBondContact O-N 3.49Å; L354-Q358 WeakPolarHBondContact O-CG 3.41Å; L354-Q358 PolarHBondContact O-NE2 3.12Å |
| 355 | V | 88.5 | Confident | 82.3 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.5 | -42.2 | 173.9 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | L266 V267 V288 L328 Y351 F352 S353 V357 Q358 L359 | L266-V355 HydrophobicContact CD2-CG2 3.65Å; V267-V355 HydrophobicContact CG1-CG2 4.03Å; V288-V355 HydrophobicContact CG2-CG1 4.06Å; L328-V355 HydrophobicContact CD2-CG1 4.34Å; Y351-V355 HydrophobicContact CD1-CG2 4.49Å; Y351-V355 HydrophobicContact CE1-CG2 4.05Å; Y351-V355 PolarHBondContact O-N 3.01Å; Y351-V355 VanDerWaalsContact O-N 3.17Å; F352-V355 PolarHBondContact O-N 3.36Å; S353-V355 VanDerWaalsContact C-N 3.33Å; S353-V355 PolarHBondContact O-N 2.65Å; V355-V357 PolarHBondContact O-N 3.21Å; V355-Q358 WeakPolarHBondContact O-CB 3.36Å; V355-Q358 PolarHBondContact O-N 3.5Å; V355-Q358 VanDerWaalsContact O-N 3.16Å; V355-L359 HydrophobicContact CG1-CD1 3.93Å; V355-L359 HydrophobicContact CG1-CG 4.35Å; V355-L359 WeakPolarHBondContact O-CG 3.41Å; V355-L359 PolarHBondContact O-N 3.06Å |
| 356 | S | 88 | Confident | 82.8 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -40.8 | -177.2 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | F352 S353 Q358 L359 L360 | F352-S356 WeakPolarHBondContact O-CB 3.32Å; F352-S356 PolarHBondContact O-N 3.27Å; F352-S356 PolarHBondContact O-OG 2.93Å; S353-S356 PolarHBondContact O-N 3.28Å; S356-Q358 VanDerWaalsContact C-N 3.28Å; S356-Q358 PolarHBondContact O-N 3.26Å; S356-L359 PolarHBondContact O-N 3.07Å; S356-L359 VanDerWaalsContact O-N 3.16Å; S356-L360 WeakPolarHBondContact O-CB 3.14Å; S356-L360 VanDerWaalsContact O-CG 3.31Å; S356-L360 WeakPolarHBondContact O-CG 3.49Å; S356-L360 PolarHBondContact O-N 3.27Å |
| 357 | V | 88.3 | Confident | 82.2 | Confident | 88 Ų | 88 | 39.7 Ų | 39.7 | 53% | 0.533 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57 | -42.9 | 173.8 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | S353 V355 L360 E361 | S353-V357 VanDerWaalsContact O-CG2 3.31Å; S353-V357 WeakPolarHBondContact O-CG2 3.28Å; S353-V357 PolarHBondContact O-N 2.79Å; V355-V357 PolarHBondContact O-N 3.21Å; V357-L360 PolarHBondContact O-N 3.38Å; V357-E361 WeakPolarHBondContact O-CB 3.37Å; V357-E361 PolarHBondContact O-N 2.9Å |
| 358 | Q | 89.5 | Confident | 81.3 | Confident | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68 | -37.9 | 178.3 | -62.9 | 177.7 | 62 | 0 | 0 | 112.1 | L266 N285 V288 L354 V355 S356 E361 I362 | L266-Q358 PolarHBondContact O-NE2 3.25Å; L266-Q358 VanDerWaalsContact O-NE2 3.08Å; N285-Q358 HydrophobicContact CB-CG 3.72Å; N285-Q358 VanDerWaalsContact O-CD 3.24Å; N285-Q358 WeakPolarHBondContact O-CG 3.33Å; N285-Q358 PolarHBondContact O-OE1 3.03Å; V288-Q358 HydrophobicContact CB-CB 4.09Å; V288-Q358 HydrophobicContact CG2-CB 3.78Å; V288-Q358 HydrophobicContact CG2-CG 4.45Å; L354-Q358 WeakPolarHBondContact O-CG 3.41Å; L354-Q358 PolarHBondContact O-NE2 3.12Å; V355-Q358 WeakPolarHBondContact O-CB 3.36Å; V355-Q358 PolarHBondContact O-N 3.5Å; V355-Q358 VanDerWaalsContact O-N 3.16Å; S356-Q358 VanDerWaalsContact C-N 3.28Å; S356-Q358 PolarHBondContact O-N 3.26Å; Q358-E361 PolarHBondContact O-N 3.44Å; Q358-I362 WeakPolarHBondContact O-CG1 3.37Å; Q358-I362 PolarHBondContact O-N 3.17Å |
| 359 | L | 89.7 | Confident | 79.8 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.3 | -43.9 | 176.5 | -71.7 | 170.6 | 0 | 0 | 0 | 111.8 | V288 L328 V355 S356 E361 I362 I363 A388 T391 L414 | V288-L359 HydrophobicContact CG1-CD2 3.89Å; L328-L359 HydrophobicContact CD1-CD2 4.29Å; V355-L359 HydrophobicContact CG1-CD1 3.93Å; V355-L359 HydrophobicContact CG1-CG 4.35Å; V355-L359 WeakPolarHBondContact O-CG 3.41Å; V355-L359 PolarHBondContact O-N 3.06Å; S356-L359 PolarHBondContact O-N 3.07Å; S356-L359 VanDerWaalsContact O-N 3.16Å; L359-E361 VanDerWaalsContact C-N 3.3Å; L359-E361 PolarHBondContact O-N 3.17Å; L359-I362 WeakPolarHBondContact O-CB 3.4Å; L359-I362 PolarHBondContact O-N 2.84Å; L359-I362 VanDerWaalsContact O-N 3.13Å; L359-I363 WeakPolarHBondContact O-CG1 3.3Å; L359-I363 PolarHBondContact O-N 3.18Å; L359-A388 HydrophobicContact CD2-CB 3.84Å; L359-T391 HydrophobicContact CD1-CG2 4.47Å; L359-T391 WeakPolarHBondContact CD1-OG1 3.46Å; L359-L414 HydrophobicContact CB-CD2 4.13Å; L359-L414 HydrophobicContact CD1-CD1 4.23Å; L359-L414 HydrophobicContact CD1-CD2 4.33Å |
| 360 | L | 88.2 | Confident | 78.1 | Confident | 29 Ų | 29 | 45.7 Ų | 45.7 | 15% | 0.152 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | 174.8 | -70.2 | 171.6 | 0 | 0 | 0 | 111.1 | S356 V357 I362 I363 N364 L414 P417 L418 | S356-L360 WeakPolarHBondContact O-CB 3.14Å; S356-L360 VanDerWaalsContact O-CG 3.31Å; S356-L360 WeakPolarHBondContact O-CG 3.49Å; S356-L360 PolarHBondContact O-N 3.27Å; V357-L360 PolarHBondContact O-N 3.38Å; L360-I362 VanDerWaalsContact C-N 3.34Å; L360-I362 PolarHBondContact O-N 3.2Å; L360-I363 PolarHBondContact O-N 2.89Å; L360-N364 VanDerWaalsContact O-CB 3.29Å; L360-N364 WeakPolarHBondContact O-CB 3.46Å; L360-N364 PolarHBondContact O-N 3.14Å; L360-N364 PolarHBondContact O-ND2 3.46Å; L360-N364 PolarHBondContact O-OD1 3.24Å; L360-L414 HydrophobicContact CD2-CD2 4.34Å; L360-L414 HydrophobicContact CG-CD2 4.13Å; L360-P417 HydrophobicContact CD1-CB 4Å; L360-P417 HydrophobicContact CD1-CG 4.26Å; L360-P417 HydrophobicContact CD2-CB 4.12Å; L360-L418 HydrophobicContact CD2-CD1 4.49Å; L360-L418 HydrophobicContact CD2-CD2 3.75Å; L360-L418 HydrophobicContact CD2-CG 3.87Å |
| 361 | E | 86.5 | Confident | 75.9 | Confident | 65 Ų | 65 | 43.1 Ų | 43.1 | 30% | 0.304 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 173.2 | -168.4 | -173.8 | 177.6 | 0 | 0 | 111.6 | R289 V357 Q358 L359 N364 T365 | R289-E361 IonicContact NH1-OE1 3.82Å; R289-E361 IonicContact NH1-OE2 3.1Å; V357-E361 WeakPolarHBondContact O-CB 3.37Å; V357-E361 PolarHBondContact O-N 2.9Å; Q358-E361 PolarHBondContact O-N 3.44Å; L359-E361 VanDerWaalsContact C-N 3.3Å; L359-E361 PolarHBondContact O-N 3.17Å; E361-N364 PolarHBondContact O-N 3.45Å; E361-T365 HydrophobicContact CG-CG2 4.43Å; E361-T365 WeakPolarHBondContact O-CB 3.37Å; E361-T365 WeakPolarHBondContact O-CG2 3.47Å; E361-T365 PolarHBondContact O-N 3.43Å; E361-T365 PolarHBondContact O-OG1 3.16Å; E361-T365 VanDerWaalsContact O-OG1 3.08Å |
| 362 | I | 86 | Confident | 73.4 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -48.7 | 174.8 | -69.4 | 165.3 | 0 | 0 | 0 | 110.9 | V288 R289 L292 Q358 L359 L360 N364 T365 F384 A388 | V288-I362 HydrophobicContact CB-CD1 4.32Å; V288-I362 HydrophobicContact CG1-CD1 3.73Å; R289-I362 HydrophobicContact CG-CD1 3.88Å; R289-I362 HydrophobicContact CG-CG1 3.89Å; L292-I362 HydrophobicContact CD1-CD1 4.26Å; Q358-I362 WeakPolarHBondContact O-CG1 3.37Å; Q358-I362 PolarHBondContact O-N 3.17Å; L359-I362 WeakPolarHBondContact O-CB 3.4Å; L359-I362 PolarHBondContact O-N 2.84Å; L359-I362 VanDerWaalsContact O-N 3.13Å; L360-I362 VanDerWaalsContact C-N 3.34Å; L360-I362 PolarHBondContact O-N 3.2Å; I362-N364 VanDerWaalsContact C-N 3.31Å; I362-N364 PolarHBondContact O-N 3.44Å; I362-T365 PolarHBondContact O-N 3.46Å; I362-T365 PolarHBondContact O-OG1 3.01Å; I362-F384 HydrophobicContact CG2-CB 3.8Å; I362-A388 HydrophobicContact CG2-CB 4.29Å |
| 363 | I | 85.7 | Confident | 70.8 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 179.4 | -67.3 | 168.2 | 0 | 0 | 0 | 110.4 | L359 L360 T365 Y385 A388 M389 V392 L418 | L359-I363 WeakPolarHBondContact O-CG1 3.3Å; L359-I363 PolarHBondContact O-N 3.18Å; L360-I363 PolarHBondContact O-N 2.89Å; I363-T365 PolarHBondContact O-N 2.78Å; I363-Y385 HydrophobicContact CB-CD2 4.49Å; I363-Y385 HydrophobicContact CB-CE2 4.24Å; I363-Y385 HydrophobicContact CG1-CD2 4.41Å; I363-Y385 HydrophobicContact CG1-CE2 4.36Å; I363-Y385 HydrophobicContact CG2-CE2 3.83Å; I363-A388 HydrophobicContact CD1-CB 4.03Å; I363-A388 HydrophobicContact CG1-CB 3.74Å; I363-M389 HydrophobicContact CD1-CE 4.29Å; I363-M389 HydrophobicContact CD1-SD 4.32Å; I363-M389 HydrophobicContact CG1-CE 4.33Å; I363-M389 HydrophobicContact CG2-CE 3.88Å; I363-V392 HydrophobicContact CD1-CG2 4.43Å; I363-L418 HydrophobicContact CB-CD2 4.49Å; I363-L418 HydrophobicContact CD1-CD1 3.97Å; I363-L418 HydrophobicContact CD1-CD2 4.08Å; I363-L418 HydrophobicContact CG2-CD2 3.75Å |
| 364 | N | 82.9 | Confident | 68.6 | Low | 58 Ų | 58 | 61.2 Ų | 61.2 | 31% | 0.31 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.4 | -32.4 | -178.2 | -64.8 | -12.6 | 0 | 0 | 0 | 113 | L360 E361 I362 R461 | L360-N364 VanDerWaalsContact O-CB 3.29Å; L360-N364 WeakPolarHBondContact O-CB 3.46Å; L360-N364 PolarHBondContact O-N 3.14Å; L360-N364 PolarHBondContact O-ND2 3.46Å; L360-N364 PolarHBondContact O-OD1 3.24Å; E361-N364 PolarHBondContact O-N 3.45Å; I362-N364 VanDerWaalsContact C-N 3.31Å; I362-N364 PolarHBondContact O-N 3.44Å; N364-R461 PolarHBondContact OD1-NH2 3.15Å |
| 365 | T | 74.5 | Confident | 66.7 | Low | 43 Ų | 43 | 63.8 Ų | 63.8 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.6 | -27.3 | -178.6 | 50.5 | 0 | 0 | 0 | 0 | 114.9 | R289 E361 I362 I363 N367 N368 T369 | R289-T365 PolarHBondContact NH2-OG1 3.14Å; E361-T365 HydrophobicContact CG-CG2 4.43Å; E361-T365 WeakPolarHBondContact O-CB 3.37Å; E361-T365 WeakPolarHBondContact O-CG2 3.47Å; E361-T365 PolarHBondContact O-N 3.43Å; E361-T365 PolarHBondContact O-OG1 3.16Å; E361-T365 VanDerWaalsContact O-OG1 3.08Å; I362-T365 PolarHBondContact O-N 3.46Å; I362-T365 PolarHBondContact O-OG1 3.01Å; I363-T365 PolarHBondContact O-N 2.78Å; T365-N367 PolarHBondContact O-N 3.26Å; T365-N367 VanDerWaalsContact O-N 3.13Å; T365-N368 PolarHBondContact O-N 3.05Å; T365-N368 VanDerWaalsContact O-N 3.11Å; T365-T369 PolarHBondContact O-N 3.5Å; T365-T369 PolarHBondContact O-OG1 3.1Å |
| 366 | K | 68.7 | Low | 64.5 | Low | 68 Ų | 68 | 67 Ų | 67 | 30% | 0.296 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -53.6 | -34.8 | 177.3 | 179.4 | -178.8 | 170.3 | -166.1 | 0 | 111.1 | T369 Y385 D468 | K366-T369 PolarHBondContact O-OG1 2.75Å; K366-T369 VanDerWaalsContact O-OG1 3.08Å; K366-Y385 HydrophobicContact CB-CD2 3.82Å; K366-Y385 HydrophobicContact CB-CE2 4.18Å; K366-Y385 HydrophobicContact CD-CD1 3.79Å; K366-Y385 HydrophobicContact CD-CD2 3.25Å; K366-Y385 HydrophobicContact CD-CE1 3.97Å; K366-Y385 HydrophobicContact CD-CE2 3.44Å; K366-Y385 VanDerWaalsContact CD-CE2 3.44Å; K366-Y385 HydrophobicContact CD-CG 3.41Å; K366-Y385 VanDerWaalsContact CD-CG 3.41Å; K366-Y385 HydrophobicContact CG-CD2 4.16Å; K366-Y385 HydrophobicContact CG-CE2 4.44Å; K366-D468 IonicContact NZ-OD2 3.02Å; K366-D468 PolarHBondContact NZ-OD2 3.09Å; K366-D468 VanDerWaalsContact NZ-OD2 3.12Å |
| 367 | N | 53.2 | Low | 63.3 | Low | 42 Ų | 42 | 70.4 Ų | 70.4 | 23% | 0.225 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -84.7 | -21.8 | -173.8 | -62.1 | 7.8 | 0 | 0 | 0 | 112.5 | T365 | T365-N367 PolarHBondContact O-N 3.26Å; T365-N367 VanDerWaalsContact O-N 3.13Å |
| 368 | N | 51.9 | Low | 62.3 | Low | 128 Ų | 128 | 71.9 Ų | 71.9 | 68% | 0.684 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -88.2 | -17.6 | 179 | -69.9 | -10.1 | 0 | 0 | 0 | 113.2 | T365 M370 | T365-N368 PolarHBondContact O-N 3.05Å; T365-N368 VanDerWaalsContact O-N 3.11Å; N368-M370 PolarHBondContact O-N 2.97Å; N368-M370 VanDerWaalsContact O-N 3.11Å |
| 369 | T | 47.4 | Very low | 61.4 | Low | 84 Ų | 84 | 74.1 Ų | 74.1 | 52% | 0.515 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 17.6 | -176.7 | 43.6 | 0 | 0 | 0 | 0 | 115.2 | T365 K366 S371 | T365-T369 PolarHBondContact O-N 3.5Å; T365-T369 PolarHBondContact O-OG1 3.1Å; K366-T369 PolarHBondContact O-OG1 2.75Å; K366-T369 VanDerWaalsContact O-OG1 3.08Å; T369-S371 PolarHBondContact O-N 3.43Å |
| 370 | M | 42.8 | Very low | 60.8 | Low | 82 Ų | 82 | 74.8 Ų | 74.8 | 40% | 0.404 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -3.4 | 174.4 | -85.6 | 165.6 | 72.2 | 0 | 0 | 114.4 | N368 K605 | N368-M370 PolarHBondContact O-N 2.97Å; N368-M370 VanDerWaalsContact O-N 3.11Å; M370-K605 HydrophobicContact CE-CB 3.66Å; M370-K605 HydrophobicContact CE-CD 3.94Å; M370-K605 HydrophobicContact CE-CG 4.4Å; M370-K605 PolarHBondContact O-NZ 3.25Å |
| 371 | S | 36.3 | Very low | 60.3 | Low | 91 Ų | 91 | 74.9 Ų | 74.9 | 64% | 0.636 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -96.5 | 102.2 | 174.4 | 67.6 | 0 | 0 | 0 | 0 | 112.5 | T369 T373 | T369-S371 PolarHBondContact O-N 3.43Å; S371-T373 PolarHBondContact O-N 3.44Å |
| 372 | N | 33.9 | Very low | 60.1 | Low | 146 Ų | 146 | 74 Ų | 74 | 78% | 0.781 | 43% | 0.427 | S | S | * | . | S | Bend | trans | 29.2 | 86.4 | 154.8 | -66.5 | -8.6 | 0 | 0 | 0 | 117.5 | ||
| 373 | T | 31.1 | Very low | 60.1 | Low | 128 Ų | 128 | 73.8 Ų | 73.8 | 79% | 0.785 | 43% | 0.426 | S | S | * | . | trans | -173.8 | 125.6 | 141.5 | 20.6 | 0 | 0 | 0 | 0 | 111.6 | S371 | S371-T373 PolarHBondContact O-N 3.44Š| ||
| 374 | Q | 42.3 | Very low | 60.2 | Low | 159 Ų | 159 | 74.4 Ų | 74.4 | 74% | 0.743 | 43% | 0.429 | S | S | * | . | trans | 52.6 | 104.9 | 161.9 | -63.2 | 178.8 | -8.9 | 0 | 0 | 117.9 | D376 S377 | Q374-D376 PolarHBondContact O-N 3.42Å; Q374-S377 PolarHBondContact O-N 3.21Å; Q374-S377 VanDerWaalsContact O-N 3.13Å | ||
| 375 | T | 44.6 | Very low | 60.5 | Low | 111 Ų | 111 | 71.8 Ų | 71.8 | 68% | 0.681 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.7 | -27.3 | 173.7 | 44.7 | 0 | 0 | 0 | 0 | 114.8 | S377 L378 | T375-S377 VanDerWaalsContact C-N 3.29Å; T375-S377 PolarHBondContact O-N 3.34Å; T375-L378 PolarHBondContact O-N 2.89Å |
| 376 | D | 42.3 | Very low | 61.2 | Low | 68 Ų | 68 | 72.6 Ų | 72.6 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -75.9 | -16.8 | -174.1 | -52.5 | -19.8 | 0 | 0 | 0 | 113 | P308 Q374 | P308-D376 HydrophobicContact CB-CB 3.8Å; P308-D376 HydrophobicContact CG-CB 4.2Å; P308-D376 WeakPolarHBondContact CG-OD2 3.24Å; Q374-D376 PolarHBondContact O-N 3.42Å |
| 377 | S | 63.6 | Low | 62.2 | Low | 75 Ų | 75 | 69.3 Ų | 69.3 | 52% | 0.524 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -77.9 | -25.1 | 175.9 | -170.9 | 0 | 0 | 0 | 0 | 112.9 | Q374 T375 V380 A381 | Q374-S377 PolarHBondContact O-N 3.21Å; Q374-S377 VanDerWaalsContact O-N 3.13Å; T375-S377 VanDerWaalsContact C-N 3.29Å; T375-S377 PolarHBondContact O-N 3.34Å; S377-V380 PolarHBondContact O-N 3.33Å; S377-A381 WeakPolarHBondContact O-CB 3.43Å; S377-A381 PolarHBondContact O-N 2.98Å |
| 378 | L | 67.1 | Low | 64 | Low | 120 Ų | 120 | 67.4 Ų | 67.4 | 63% | 0.628 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -75.1 | -35.5 | -167.5 | -151.5 | 140.8 | 0 | 0 | 0 | 112.7 | T375 A381 S382 | T375-L378 PolarHBondContact O-N 2.89Å; L378-A381 PolarHBondContact O-N 3.44Å; L378-S382 VanDerWaalsContact O-CB 3.31Å; L378-S382 WeakPolarHBondContact O-CB 3.36Å; L378-S382 PolarHBondContact O-N 3.31Å |
| 379 | A | 70.5 | Confident | 65.8 | Low | 49 Ų | 49 | 61.6 Ų | 61.6 | 41% | 0.405 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F383 | A379-F383 PolarHBondContact O-N 3.29Å |
| 380 | V | 76.8 | Confident | 67.9 | Low | 19 Ų | 19 | 58.4 Ų | 58.4 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.4 | -43.6 | 176 | 178 | 0 | 0 | 0 | 0 | 110.5 | L293 L296 I309 S377 S382 F383 F384 | L293-V380 HydrophobicContact CD2-CG1 4.36Å; L296-V380 HydrophobicContact CD1-CG1 3.88Å; L296-V380 HydrophobicContact CD1-CG2 4.35Å; I309-V380 HydrophobicContact CB-CG2 4.05Å; I309-V380 HydrophobicContact CD1-CG2 4.14Å; I309-V380 HydrophobicContact CG2-CG2 4.29Å; S377-V380 PolarHBondContact O-N 3.33Å; V380-S382 PolarHBondContact O-N 3.43Å; V380-F383 PolarHBondContact O-N 3.41Å; V380-F384 HydrophobicContact CG1-CD1 4.3Å; V380-F384 HydrophobicContact CG1-CE1 3.66Å; V380-F384 HydrophobicContact CG1-CE2 4.04Å; V380-F384 HydrophobicContact CG1-CZ 3.49Å; V380-F384 VanDerWaalsContact CG1-CZ 3.49Å; V380-F384 VanDerWaalsContact O-CD1 3.31Å; V380-F384 WeakPolarHBondContact O-CD1 3.46Å; V380-F384 WeakPolarHBondContact O-CG 3.38Å; V380-F384 PolarHBondContact O-N 3.24Å |
| 381 | A | 79.3 | Confident | 70.2 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 25% | 0.248 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | S377 L378 F384 Y385 | S377-A381 WeakPolarHBondContact O-CB 3.43Å; S377-A381 PolarHBondContact O-N 2.98Å; L378-A381 PolarHBondContact O-N 3.44Å; A381-F384 PolarHBondContact O-N 3.02Å; A381-Y385 WeakPolarHBondContact O-CB 3.34Å; A381-Y385 PolarHBondContact O-N 2.98Å |
| 382 | S | 81.9 | Confident | 72.9 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 32% | 0.322 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | L378 V380 F384 Y385 N386 | L378-S382 VanDerWaalsContact O-CB 3.31Å; L378-S382 WeakPolarHBondContact O-CB 3.36Å; L378-S382 PolarHBondContact O-N 3.31Å; V380-S382 PolarHBondContact O-N 3.43Å; S382-F384 VanDerWaalsContact C-N 3.35Å; S382-F384 PolarHBondContact O-N 2.83Å; S382-Y385 WeakPolarHBondContact O-CB 3.43Å; S382-Y385 PolarHBondContact O-N 3.15Å; S382-N386 VanDerWaalsContact O-CG 3.24Å; S382-N386 PolarHBondContact O-N 3.13Å; S382-N386 PolarHBondContact O-ND2 3.22Å |
| 383 | F | 85.2 | Confident | 75.6 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -44 | 173.9 | 177.8 | -102.1 | 0 | 0 | 0 | 111.9 | L296 I312 Q317 M320 I321 L324 A379 V380 Y385 N386 V387 | L296-F383 HydrophobicContact CD1-CD1 3.94Å; L296-F383 HydrophobicContact CD1-CE1 4.36Å; L296-F383 HydrophobicContact CD2-CD1 3.72Å; L296-F383 HydrophobicContact CD2-CE1 3.61Å; L296-F383 HydrophobicContact CD2-CG 4.28Å; L296-F383 HydrophobicContact CD2-CZ 4.03Å; L296-F383 HydrophobicContact CG-CD1 4.01Å; L296-F383 HydrophobicContact CG-CE1 3.94Å; I312-F383 HydrophobicContact CD1-CB 4.02Å; I312-F383 HydrophobicContact CD1-CD1 4.46Å; I312-F383 HydrophobicContact CD1-CD2 4.1Å; I312-F383 HydrophobicContact CD1-CG 3.94Å; Q317-F383 HydrophobicContact CG-CD2 4.25Å; Q317-F383 HydrophobicContact CG-CE2 4.45Å; M320-F383 HydrophobicContact CB-CE2 4.43Å; M320-F383 HydrophobicContact CB-CZ 4.44Å; M320-F383 HydrophobicContact CE-CE1 4.41Å; M320-F383 HydrophobicContact CE-CZ 3.97Å; M320-F383 HydrophobicContact CG-CE2 4.33Å; M320-F383 HydrophobicContact CG-CZ 3.89Å; M320-F383 HydrophobicContact SD-CE2 4.04Å; M320-F383 HydrophobicContact SD-CZ 3.61Å; I321-F383 HydrophobicContact CD1-CD2 4.32Å; I321-F383 HydrophobicContact CD1-CE2 4.36Å; I321-F383 HydrophobicContact CG1-CD2 4.04Å; I321-F383 HydrophobicContact CG1-CE2 3.67Å; I321-F383 HydrophobicContact CG1-CZ 4.47Å; L324-F383 HydrophobicContact CD1-CE1 3.98Å; L324-F383 HydrophobicContact CD1-CZ 3.72Å; A379-F383 PolarHBondContact O-N 3.29Å; V380-F383 PolarHBondContact O-N 3.41Å; F383-Y385 VanDerWaalsContact C-N 3.33Å; F383-Y385 PolarHBondContact O-N 2.9Å; F383-N386 PolarHBondContact O-N 2.68Å; F383-V387 HydrophobicContact CD1-CG2 4.46Å; F383-V387 HydrophobicContact CE1-CG2 4.05Å; F383-V387 HydrophobicContact CE2-CG2 4.36Å; F383-V387 HydrophobicContact CZ-CG2 3.99Å; F383-V387 WeakPolarHBondContact O-CG2 3.35Å; F383-V387 PolarHBondContact O-N 2.62Å |
| 384 | F | 88.3 | Confident | 78.4 | Confident | 15 Ų | 15 | 38.4 Ų | 38.4 | 7% | 0.066 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 178.6 | -68.9 | 4 | 0 | 0 | 0 | 111.9 | R289 L292 L293 L296 I362 V380 A381 S382 V387 A388 | R289-F384 HydrophobicContact CG-CD2 4.43Å; R289-F384 HydrophobicContact CG-CE2 4.49Å; L292-F384 HydrophobicContact CB-CD1 3.52Å; L292-F384 HydrophobicContact CB-CE1 3.26Å; L292-F384 HydrophobicContact CB-CE2 4.36Å; L292-F384 HydrophobicContact CB-CG 4.22Å; L292-F384 HydrophobicContact CB-CZ 3.74Å; L292-F384 HydrophobicContact CD1-CB 3.83Å; L292-F384 HydrophobicContact CD1-CD1 3.58Å; L292-F384 HydrophobicContact CD1-CD2 4.19Å; L292-F384 HydrophobicContact CD1-CE1 4.21Å; L292-F384 HydrophobicContact CD1-CG 3.6Å; L292-F384 HydrophobicContact CG-CD1 4.16Å; L292-F384 HydrophobicContact CG-CE1 4.36Å; L293-F384 HydrophobicContact CD2-CE2 4.44Å; L293-F384 HydrophobicContact CD2-CZ 3.75Å; L293-F384 HydrophobicContact CG-CE2 4.27Å; L293-F384 HydrophobicContact CG-CZ 3.72Å; L296-F384 HydrophobicContact CD1-CE1 3.76Å; L296-F384 HydrophobicContact CD1-CZ 4.44Å; I362-F384 HydrophobicContact CG2-CB 3.8Å; V380-F384 HydrophobicContact CG1-CD1 4.3Å; V380-F384 HydrophobicContact CG1-CE1 3.66Å; V380-F384 HydrophobicContact CG1-CE2 4.04Å; V380-F384 HydrophobicContact CG1-CZ 3.49Å; V380-F384 VanDerWaalsContact CG1-CZ 3.49Å; V380-F384 VanDerWaalsContact O-CD1 3.31Å; V380-F384 WeakPolarHBondContact O-CD1 3.46Å; V380-F384 WeakPolarHBondContact O-CG 3.38Å; V380-F384 PolarHBondContact O-N 3.24Å; A381-F384 PolarHBondContact O-N 3.02Å; S382-F384 VanDerWaalsContact C-N 3.35Å; S382-F384 PolarHBondContact O-N 2.83Å; F384-V387 PolarHBondContact O-N 3.02Å; F384-A388 PolarHBondContact O-N 2.93Å |
| 385 | Y | 88.8 | Confident | 80.6 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 176 | -175.4 | -92.3 | 0 | 0 | 0 | 112 | I363 K366 A381 S382 F383 V387 A388 M389 D468 | I363-Y385 HydrophobicContact CB-CD2 4.49Å; I363-Y385 HydrophobicContact CB-CE2 4.24Å; I363-Y385 HydrophobicContact CG1-CD2 4.41Å; I363-Y385 HydrophobicContact CG1-CE2 4.36Å; I363-Y385 HydrophobicContact CG2-CE2 3.83Å; K366-Y385 HydrophobicContact CB-CD2 3.82Å; K366-Y385 HydrophobicContact CB-CE2 4.18Å; K366-Y385 HydrophobicContact CD-CD1 3.79Å; K366-Y385 HydrophobicContact CD-CD2 3.25Å; K366-Y385 HydrophobicContact CD-CE1 3.97Å; K366-Y385 HydrophobicContact CD-CE2 3.44Å; K366-Y385 VanDerWaalsContact CD-CE2 3.44Å; K366-Y385 HydrophobicContact CD-CG 3.41Å; K366-Y385 VanDerWaalsContact CD-CG 3.41Å; K366-Y385 HydrophobicContact CG-CD2 4.16Å; K366-Y385 HydrophobicContact CG-CE2 4.44Å; A381-Y385 WeakPolarHBondContact O-CB 3.34Å; A381-Y385 PolarHBondContact O-N 2.98Å; S382-Y385 WeakPolarHBondContact O-CB 3.43Å; S382-Y385 PolarHBondContact O-N 3.15Å; F383-Y385 VanDerWaalsContact C-N 3.33Å; F383-Y385 PolarHBondContact O-N 2.9Å; Y385-V387 VanDerWaalsContact C-N 3.33Å; Y385-V387 PolarHBondContact O-N 3.24Å; Y385-A388 WeakPolarHBondContact O-CB 3.47Å; Y385-A388 PolarHBondContact O-N 2.83Å; Y385-A388 VanDerWaalsContact O-N 3.08Å; Y385-M389 HydrophobicContact CD1-CG 4.08Å; Y385-M389 HydrophobicContact CE1-CE 3.87Å; Y385-M389 HydrophobicContact CE1-CG 3.66Å; Y385-M389 HydrophobicContact CE2-CE 3.85Å; Y385-M389 PolarHBondContact O-N 3.33Å; Y385-M389 WeakPolarHBondContact OH-CE 3.23Å; Y385-D468 HydrophobicContact CE1-CB 4.02Å; Y385-D468 WeakPolarHBondContact CE1-OD2 3.33Å; Y385-D468 PolarHBondContact OH-OD2 3Å |
| 386 | N | 88.3 | Confident | 82.6 | Confident | 60 Ų | 60 | 25.8 Ų | 25.8 | 32% | 0.321 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.8 | -36 | 179.1 | -67 | -21.9 | 0 | 0 | 0 | 112.2 | I321 S382 F383 A388 K390 | I321-N386 HydrophobicContact CD1-CB 3.83Å; I321-N386 HydrophobicContact CG1-CB 4.49Å; S382-N386 VanDerWaalsContact O-CG 3.24Å; S382-N386 PolarHBondContact O-N 3.13Å; S382-N386 PolarHBondContact O-ND2 3.22Å; F383-N386 PolarHBondContact O-N 2.68Å; N386-A388 VanDerWaalsContact C-N 3.35Å; N386-K390 WeakPolarHBondContact O-CB 3.4Å; N386-K390 PolarHBondContact O-N 3.2Å |
| 387 | V | 90.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | 170.1 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | L292 I321 L324 L328 F383 F384 Y385 K390 T391 | L292-V387 HydrophobicContact CD2-CB 4.22Å; L292-V387 HydrophobicContact CD2-CG1 3.78Å; L292-V387 HydrophobicContact CD2-CG2 4.18Å; I321-V387 HydrophobicContact CB-CG2 4.36Å; I321-V387 HydrophobicContact CG1-CG2 3.95Å; I321-V387 HydrophobicContact CG2-CG2 4.43Å; L324-V387 HydrophobicContact CB-CG1 3.96Å; L324-V387 HydrophobicContact CB-CG2 4.46Å; L324-V387 HydrophobicContact CD1-CG2 4.24Å; L328-V387 HydrophobicContact CD1-CG1 4.02Å; F383-V387 HydrophobicContact CD1-CG2 4.46Å; F383-V387 HydrophobicContact CE1-CG2 4.05Å; F383-V387 HydrophobicContact CE2-CG2 4.36Å; F383-V387 HydrophobicContact CZ-CG2 3.99Å; F383-V387 WeakPolarHBondContact O-CG2 3.35Å; F383-V387 PolarHBondContact O-N 2.62Å; F384-V387 PolarHBondContact O-N 3.02Å; Y385-V387 VanDerWaalsContact C-N 3.33Å; Y385-V387 PolarHBondContact O-N 3.24Å; V387-K390 PolarHBondContact O-N 2.95Å; V387-T391 HydrophobicContact CG1-CG2 4.46Å; V387-T391 WeakPolarHBondContact O-CG2 3.31Å; V387-T391 PolarHBondContact O-N 2.84Å; V387-T391 PolarHBondContact O-OG1 3.35Å |
| 388 | A | 91.8 | Very high | 85.6 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L359 I362 I363 F384 Y385 N386 K390 T391 V392 | L359-A388 HydrophobicContact CD2-CB 3.84Å; I362-A388 HydrophobicContact CG2-CB 4.29Å; I363-A388 HydrophobicContact CD1-CB 4.03Å; I363-A388 HydrophobicContact CG1-CB 3.74Å; F384-A388 PolarHBondContact O-N 2.93Å; Y385-A388 WeakPolarHBondContact O-CB 3.47Å; Y385-A388 PolarHBondContact O-N 2.83Å; Y385-A388 VanDerWaalsContact O-N 3.08Å; N386-A388 VanDerWaalsContact C-N 3.35Å; A388-K390 PolarHBondContact O-N 3.41Å; A388-T391 WeakPolarHBondContact CA-OG1 3.43Å; A388-T391 PolarHBondContact O-N 3.16Å; A388-T391 PolarHBondContact O-OG1 2.94Å; A388-V392 WeakPolarHBondContact O-CG2 3.34Å; A388-V392 PolarHBondContact O-N 3.13Å; A388-V392 VanDerWaalsContact O-N 3.13Å |
| 389 | M | 90.4 | Very high | 86.2 | Confident | 6 Ų | 6 | 20 Ų | 20 | 3% | 0.03 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 175.8 | -73.3 | -55.7 | -178.9 | 0 | 0 | 112.1 | I363 Y385 T391 V392 H393 I465 D468 L469 | I363-M389 HydrophobicContact CD1-CE 4.29Å; I363-M389 HydrophobicContact CD1-SD 4.32Å; I363-M389 HydrophobicContact CG1-CE 4.33Å; I363-M389 HydrophobicContact CG2-CE 3.88Å; Y385-M389 HydrophobicContact CD1-CG 4.08Å; Y385-M389 HydrophobicContact CE1-CE 3.87Å; Y385-M389 HydrophobicContact CE1-CG 3.66Å; Y385-M389 HydrophobicContact CE2-CE 3.85Å; Y385-M389 PolarHBondContact O-N 3.33Å; Y385-M389 WeakPolarHBondContact OH-CE 3.23Å; M389-T391 VanDerWaalsContact C-N 3.32Å; M389-T391 PolarHBondContact O-N 3.49Å; M389-V392 WeakPolarHBondContact O-CB 3.37Å; M389-V392 PolarHBondContact O-N 3.44Å; M389-H393 PolarHBondContact O-CD2 2.82Å; M389-H393 PolarHBondContact O-N 3.05Å; M389-I465 HydrophobicContact CE-CG2 4.29Å; M389-D468 HydrophobicContact CE-CB 4.32Å; M389-L469 HydrophobicContact SD-CD2 3.79Å; M389-L469 HydrophobicContact SD-CG 4.17Å |
| 390 | K | 91.1 | Very high | 86.2 | Confident | 18 Ų | 18 | 19.7 Ų | 19.7 | 8% | 0.078 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.2 | -34.4 | 174.7 | -172.9 | 54.6 | 173.2 | 153.7 | 0 | 112.4 | I321 A325 N386 V387 A388 V392 H393 D394 E474 | I321-K390 HydrophobicContact CG2-CB 3.73Å; I321-K390 HydrophobicContact CG2-CG 4.12Å; A325-K390 HydrophobicContact CB-CB 3.96Å; A325-K390 HydrophobicContact CB-CG 3.66Å; N386-K390 WeakPolarHBondContact O-CB 3.4Å; N386-K390 PolarHBondContact O-N 3.2Å; V387-K390 PolarHBondContact O-N 2.95Å; A388-K390 PolarHBondContact O-N 3.41Å; K390-V392 VanDerWaalsContact C-N 3.32Å; K390-V392 PolarHBondContact O-N 3.19Å; K390-H393 PolarHBondContact O-N 3.46Å; K390-D394 WeakPolarHBondContact CE-OD1 3.39Å; K390-D394 IonicContact NZ-OD1 3.87Å; K390-D394 PolarHBondContact NZ-OD1 3.33Å; K390-D394 PolarHBondContact O-N 2.85Å; K390-E474 PolarHBondContact NZ-O 3.34Å |
| 391 | T | 91.3 | Very high | 85.5 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.7 | -32.7 | 174.6 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | A325 L328 T329 L359 V387 A388 M389 H393 L395 | A325-T391 VanDerWaalsContact CA-CG2 3.45Å; A325-T391 HydrophobicContact CB-CG2 3.68Å; L328-T391 HydrophobicContact CB-CG2 3.75Å; L328-T391 HydrophobicContact CD1-CG2 3.72Å; L328-T391 HydrophobicContact CG-CG2 4.37Å; T329-T391 HydrophobicContact CG2-CG2 4.46Å; L359-T391 HydrophobicContact CD1-CG2 4.47Å; L359-T391 WeakPolarHBondContact CD1-OG1 3.46Å; V387-T391 HydrophobicContact CG1-CG2 4.46Å; V387-T391 WeakPolarHBondContact O-CG2 3.31Å; V387-T391 PolarHBondContact O-N 2.84Å; V387-T391 PolarHBondContact O-OG1 3.35Å; A388-T391 WeakPolarHBondContact CA-OG1 3.43Å; A388-T391 PolarHBondContact O-N 3.16Å; A388-T391 PolarHBondContact O-OG1 2.94Å; M389-T391 VanDerWaalsContact C-N 3.32Å; M389-T391 PolarHBondContact O-N 3.49Å; T391-H393 VanDerWaalsContact C-N 3.34Å; T391-L395 WeakPolarHBondContact O-CB 3.43Å; T391-L395 PolarHBondContact O-N 3.45Å |
| 392 | V | 91.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.6 | -51.1 | 174.9 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | I363 A388 M389 K390 C396 L414 L415 L418 L469 | I363-V392 HydrophobicContact CD1-CG2 4.43Å; A388-V392 WeakPolarHBondContact O-CG2 3.34Å; A388-V392 PolarHBondContact O-N 3.13Å; A388-V392 VanDerWaalsContact O-N 3.13Å; M389-V392 WeakPolarHBondContact O-CB 3.37Å; M389-V392 PolarHBondContact O-N 3.44Å; K390-V392 VanDerWaalsContact C-N 3.32Å; K390-V392 PolarHBondContact O-N 3.19Å; V392-C396 WeakPolarHBondContact O-CB 3.46Å; V392-C396 PolarHBondContact O-N 3.21Å; V392-C396 VanDerWaalsContact O-N 3.09Å; V392-C396 PolarHBondContact O-SG 2.91Å; V392-L414 HydrophobicContact CG1-CB 4.36Å; V392-L414 HydrophobicContact CG2-CB 4.18Å; V392-L414 HydrophobicContact CG2-CD1 4.24Å; V392-L415 HydrophobicContact CG1-CB 4.39Å; V392-L415 HydrophobicContact CG1-CD1 4.27Å; V392-L418 HydrophobicContact CG1-CD1 4.48Å; V392-L418 HydrophobicContact CG2-CD1 3.8Å; V392-L469 HydrophobicContact CB-CD2 4.32Å; V392-L469 HydrophobicContact CG1-CD2 4.08Å |
| 393 | H | 91.5 | Very high | 83.2 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.2 | -50.4 | 178.7 | -75.4 | -72.8 | 0 | 0 | 0 | 112.5 | M389 K390 T391 L395 C396 Q397 L469 S476 | M389-H393 PolarHBondContact O-CD2 2.82Å; M389-H393 PolarHBondContact O-N 3.05Å; K390-H393 PolarHBondContact O-N 3.46Å; T391-H393 VanDerWaalsContact C-N 3.34Å; H393-L395 VanDerWaalsContact C-N 3.34Å; H393-L395 PolarHBondContact O-N 3.31Å; H393-C396 PolarHBondContact O-N 2.98Å; H393-Q397 WeakPolarHBondContact O-CB 3.43Å; H393-Q397 PolarHBondContact O-N 3.25Å; H393-L469 PolarHBondContact CE1-O 2.92Å; H393-L469 VanDerWaalsContact CE1-O 3.27Å; H393-L469 PolarHBondContact NE2-O 3.03Å; H393-S476 PolarHBondContact ND1-N 3.25Å |
| 394 | D | 89.2 | Confident | 81.7 | Confident | 25 Ų | 25 | 38.5 Ų | 38.5 | 13% | 0.134 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.7 | -35.2 | -176.4 | -71.7 | -0.5 | 0 | 0 | 0 | 112.2 | A325 T329 K390 K398 | A325-D394 WeakPolarHBondContact CB-OD2 3.48Å; T329-D394 HydrophobicContact CG2-CB 4.04Å; K390-D394 WeakPolarHBondContact CE-OD1 3.39Å; K390-D394 IonicContact NZ-OD1 3.87Å; K390-D394 PolarHBondContact NZ-OD1 3.33Å; K390-D394 PolarHBondContact O-N 2.85Å; D394-K398 WeakPolarHBondContact O-CB 3.3Å; D394-K398 VanDerWaalsContact O-CG 3.3Å; D394-K398 WeakPolarHBondContact O-CG 3.26Å; D394-K398 PolarHBondContact O-N 3.26Å; D394-K398 VanDerWaalsContact O-N 3.09Å |
| 395 | L | 88.3 | Confident | 80.2 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.7 | -49.2 | 177.2 | -169.5 | 63.3 | 0 | 0 | 0 | 110.5 | T329 F352 T391 H393 Q397 K398 S399 L414 | T329-L395 HydrophobicContact CG2-CB 3.81Å; T329-L395 HydrophobicContact CG2-CD1 4.18Å; F352-L395 HydrophobicContact CD1-CD1 3.92Å; F352-L395 HydrophobicContact CD1-CD2 4.49Å; F352-L395 HydrophobicContact CE1-CD1 3.92Å; F352-L395 HydrophobicContact CG-CD1 4.47Å; F352-L395 HydrophobicContact CZ-CD1 4.47Å; T391-L395 WeakPolarHBondContact O-CB 3.43Å; T391-L395 PolarHBondContact O-N 3.45Å; H393-L395 VanDerWaalsContact C-N 3.34Å; H393-L395 PolarHBondContact O-N 3.31Å; L395-Q397 VanDerWaalsContact C-N 3.25Å; L395-Q397 PolarHBondContact O-N 3.32Å; L395-K398 PolarHBondContact O-N 3.23Å; L395-K398 VanDerWaalsContact O-N 3.15Å; L395-S399 PolarHBondContact O-N 3.03Å; L395-S399 PolarHBondContact O-OG 2.79Å; L395-L414 HydrophobicContact CB-CD1 4.33Å; L395-L414 HydrophobicContact CD2-CD1 3.62Å; L395-L414 HydrophobicContact CD2-CG 4.32Å |
| 396 | C | 87.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.4 | -39.9 | 178.2 | -67.2 | 0 | 0 | 0 | 0 | 112 | V392 H393 S399 N408 I478 V479 | V392-C396 WeakPolarHBondContact O-CB 3.46Å; V392-C396 PolarHBondContact O-N 3.21Å; V392-C396 VanDerWaalsContact O-N 3.09Å; V392-C396 PolarHBondContact O-SG 2.91Å; H393-C396 PolarHBondContact O-N 2.98Å; C396-S399 PolarHBondContact O-OG 3.17Å; C396-S399 VanDerWaalsContact O-OG 3.08Å; C396-N408 PolarHBondContact O-ND2 3.45Å; C396-I478 VanDerWaalsContact O-CD1 3.24Å; C396-I478 WeakPolarHBondContact O-CD1 3.01Å; C396-V479 HydrophobicContact CB-CG2 4.02Å |
| 397 | Q | 86.7 | Confident | 77.8 | Confident | 78 Ų | 78 | 50 Ų | 50 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.3 | -31.1 | 179 | -166.5 | 65.2 | 34.2 | 0 | 0 | 113.6 | H393 L395 S400 S476 | H393-Q397 WeakPolarHBondContact O-CB 3.43Å; H393-Q397 PolarHBondContact O-N 3.25Å; L395-Q397 VanDerWaalsContact C-N 3.25Å; L395-Q397 PolarHBondContact O-N 3.32Å; Q397-S400 PolarHBondContact O-OG 3.15Å; Q397-S400 VanDerWaalsContact O-OG 3.06Å; Q397-S476 PolarHBondContact OE1-OG 2.66Å |
| 398 | K | 83.1 | Confident | 77.3 | Confident | 63 Ų | 63 | 50 Ų | 50 | 27% | 0.274 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -83.2 | -37 | 179.7 | -77.4 | 176.1 | 177.5 | 179.9 | 0 | 112.4 | N326 T329 D394 L395 S400 K401 | N326-K398 PolarHBondContact OD1-NZ 3Å; T329-K398 PolarHBondContact OG1-NZ 3.22Å; D394-K398 WeakPolarHBondContact O-CB 3.3Å; D394-K398 VanDerWaalsContact O-CG 3.3Å; D394-K398 WeakPolarHBondContact O-CG 3.26Å; D394-K398 PolarHBondContact O-N 3.26Å; D394-K398 VanDerWaalsContact O-N 3.09Å; L395-K398 PolarHBondContact O-N 3.23Å; L395-K398 VanDerWaalsContact O-N 3.15Å; K398-S400 VanDerWaalsContact C-N 3.31Å; K398-S400 PolarHBondContact O-N 3.38Å; K398-K401 PolarHBondContact O-N 2.64Å |
| 399 | S | 78.1 | Confident | 76.9 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.6 | -27.9 | 179.9 | 44.4 | 0 | 0 | 0 | 0 | 113.4 | L395 C396 K401 I402 N403 N408 | L395-S399 PolarHBondContact O-N 3.03Å; L395-S399 PolarHBondContact O-OG 2.79Å; C396-S399 PolarHBondContact O-OG 3.17Å; C396-S399 VanDerWaalsContact O-OG 3.08Å; S399-K401 PolarHBondContact O-N 3.48Å; S399-I402 PolarHBondContact O-N 3.15Å; S399-I402 VanDerWaalsContact O-N 3.1Å; S399-N403 PolarHBondContact O-N 3.46Å; S399-N408 WeakPolarHBondContact CB-OD1 3.44Å; S399-N408 PolarHBondContact OG-ND2 3.49Å; S399-N408 PolarHBondContact OG-OD1 3.08Å |
| 400 | S | 71.1 | Confident | 76.5 | Confident | 41 Ų | 41 | 50.2 Ų | 50.2 | 29% | 0.287 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -19.7 | 175.6 | 62.4 | 0 | 0 | 0 | 0 | 114.2 | Q397 K398 I402 I478 | Q397-S400 PolarHBondContact O-OG 3.15Å; Q397-S400 VanDerWaalsContact O-OG 3.06Å; K398-S400 VanDerWaalsContact C-N 3.31Å; K398-S400 PolarHBondContact O-N 3.38Å; S400-I402 PolarHBondContact O-N 3.2Å; S400-I478 VanDerWaalsContact CB-CD1 3.43Å; S400-I478 WeakPolarHBondContact OG-CD1 3.37Å |
| 401 | K | 62.4 | Low | 76.3 | Confident | 181 Ų | 181 | 49.6 Ų | 49.6 | 79% | 0.787 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -10.2 | 174.4 | -64.9 | -175.4 | 178.4 | -178.2 | 0 | 112.7 | K398 S399 | K398-K401 PolarHBondContact O-N 2.64Å; S399-K401 PolarHBondContact O-N 3.48Å |
| 402 | I | 58.7 | Low | 76 | Confident | 111 Ų | 111 | 53.2 Ų | 53.2 | 57% | 0.569 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | -39.7 | -170.2 | -52.1 | 177.7 | 0 | 0 | 0 | 110.6 | S399 S400 | S399-I402 PolarHBondContact O-N 3.15Å; S399-I402 VanDerWaalsContact O-N 3.1Å; S400-I402 PolarHBondContact O-N 3.2Å |
| 403 | N | 53.5 | Low | 75.7 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -129.8 | 157.7 | -173.1 | -63 | -9 | 0 | 0 | 0 | 112.6 | S399 D407 | S399-N403 PolarHBondContact O-N 3.46Å; N403-D407 HydrophobicContact CB-CB 4.01Å; N403-D407 PolarHBondContact ND2-O 2.82Å |
| 404 | D | 55.3 | Low | 75.6 | Confident | 144 Ų | 144 | 55.3 Ų | 55.3 | 77% | 0.77 | 28% | 0.28 | S | S | * | . | trans | -57.3 | 157 | 167.7 | -72.2 | -30 | 0 | 0 | 0 | 111.6 | D406 D407 | D404-D406 PolarHBondContact O-N 3.16Å; D404-D407 PolarHBondContact O-N 3.2Å | ||
| 405 | D | 56.7 | Low | 75.5 | Confident | 95 Ų | 95 | 54.1 Ų | 54.1 | 51% | 0.508 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -57.8 | -25.9 | -164.7 | -122.4 | -26.9 | 0 | 0 | 0 | 115.1 | K411 | D405-K411 PolarHBondContact O-NZ 2.65Å; D405-K411 IonicContact OD1-NZ 3.37Å; D405-K411 PolarHBondContact OD1-NZ 2.9Å |
| 406 | D | 58.9 | Low | 75.6 | Confident | 134 Ų | 134 | 57 Ų | 57 | 72% | 0.717 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -82.1 | -24 | 179.2 | -74.6 | -22.4 | 0 | 0 | 0 | 113.6 | D404 K412 | D404-D406 PolarHBondContact O-N 3.16Å; D406-K412 WeakPolarHBondContact O-CE 3.07Å |
| 407 | D | 66.1 | Low | 75.6 | Confident | 88 Ų | 88 | 60.3 Ų | 60.3 | 47% | 0.471 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -101.6 | 21.3 | 179.8 | -82.1 | -20.6 | 0 | 0 | 0 | 113.3 | N403 D404 I409 K412 | N403-D407 HydrophobicContact CB-CB 4.01Å; N403-D407 PolarHBondContact ND2-O 2.82Å; D404-D407 PolarHBondContact O-N 3.2Å; D407-I409 PolarHBondContact O-N 3.27Å; D407-K412 IonicContact OD1-NZ 3.6Å; D407-K412 PolarHBondContact OD1-NZ 3.34Å |
| 408 | N | 81.4 | Confident | 75.6 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | trans | -68.2 | 103.1 | 175 | -170.8 | -44 | 0 | 0 | 0 | 111 | C396 S399 G410 K411 K412 | C396-N408 PolarHBondContact O-ND2 3.45Å; S399-N408 WeakPolarHBondContact CB-OD1 3.44Å; S399-N408 PolarHBondContact OG-ND2 3.49Å; S399-N408 PolarHBondContact OG-OD1 3.08Å; N408-G410 PolarHBondContact O-N 3.38Å; N408-G410 WeakPolarHBondContact OD1-CA 3.07Å; N408-G410 PolarHBondContact OD1-N 2.9Å; N408-K411 HydrophobicContact CB-CB 4.11Å; N408-K411 HydrophobicContact CB-CD 3.88Å; N408-K411 HydrophobicContact CB-CG 3.82Å; N408-K411 WeakPolarHBondContact O-CA 3.08Å; N408-K411 WeakPolarHBondContact O-CB 3.3Å; N408-K411 PolarHBondContact O-N 3.48Å; N408-K411 PolarHBondContact OD1-N 2.78Å; N408-K411 VanDerWaalsContact OD1-N 3.09Å; N408-K412 PolarHBondContact O-N 3.43Å | ||
| 409 | I | 81.8 | Confident | 75.8 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 6% | 0.056 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.7 | -34.6 | -179.5 | -66.2 | 164.1 | 0 | 0 | 0 | 112.2 | Y348 E349 D407 K412 L413 | Y348-I409 HydrophobicContact CD1-CD1 3.74Å; Y348-I409 HydrophobicContact CE1-CD1 3.43Å; Y348-I409 VanDerWaalsContact CE1-CD1 3.43Å; Y348-I409 HydrophobicContact CE1-CG2 4.45Å; E349-I409 HydrophobicContact CG-CD1 3.69Å; E349-I409 HydrophobicContact CG-CG1 4.26Å; D407-I409 PolarHBondContact O-N 3.27Å; I409-K412 PolarHBondContact O-N 3.37Å; I409-L413 HydrophobicContact CG2-CD1 3.37Å; I409-L413 HydrophobicContact CG2-CG 3.87Å; I409-L413 WeakPolarHBondContact O-CB 3.5Å; I409-L413 WeakPolarHBondContact O-CG 3.35Å; I409-L413 PolarHBondContact O-N 3.03Å |
| 410 | G | 83.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -40.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N408 L414 L415 | N408-G410 PolarHBondContact O-N 3.38Å; N408-G410 WeakPolarHBondContact OD1-CA 3.07Å; N408-G410 PolarHBondContact OD1-N 2.9Å; G410-L414 PolarHBondContact O-N 3.33Å; G410-L415 PolarHBondContact O-N 3.35Å |
| 411 | K | 85.4 | Confident | 76.7 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 2% | 0.022 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -61.5 | -52.1 | 172.2 | -66.9 | -175.6 | -167.5 | 171.8 | 0 | 110.4 | D405 N408 L415 W416 I478 E482 | D405-K411 PolarHBondContact O-NZ 2.65Å; D405-K411 IonicContact OD1-NZ 3.37Å; D405-K411 PolarHBondContact OD1-NZ 2.9Å; N408-K411 HydrophobicContact CB-CB 4.11Å; N408-K411 HydrophobicContact CB-CD 3.88Å; N408-K411 HydrophobicContact CB-CG 3.82Å; N408-K411 WeakPolarHBondContact O-CA 3.08Å; N408-K411 WeakPolarHBondContact O-CB 3.3Å; N408-K411 PolarHBondContact O-N 3.48Å; N408-K411 PolarHBondContact OD1-N 2.78Å; N408-K411 VanDerWaalsContact OD1-N 3.09Å; K411-L415 HydrophobicContact CG-CD2 4.39Å; K411-L415 PolarHBondContact O-N 3.01Å; K411-W416 HydrophobicContact CB-CD2 4.26Å; K411-W416 HydrophobicContact CB-CZ2 4.01Å; K411-W416 HydrophobicContact CD-CZ2 4.41Å; K411-W416 WeakPolarHBondContact O-CB 3.17Å; K411-W416 PolarHBondContact O-N 3.36Å; K411-I478 HydrophobicContact CD-CG2 4.34Å; K411-I478 HydrophobicContact CG-CG2 4.35Å; K411-E482 HydrophobicContact CD-CG 4.02Å; K411-E482 WeakPolarHBondContact CE-OE1 3.33Å; K411-E482 IonicContact NZ-OE1 2.79Å; K411-E482 PolarHBondContact NZ-OE1 2.77Å |
| 412 | K | 85.4 | Confident | 77.8 | Confident | 78 Ų | 78 | 46.2 Ų | 46.2 | 34% | 0.339 | 25% | 0.246 | S | C | . | . | I | π-helix | trans | -60.1 | -49.1 | -177.4 | -73.4 | 178 | -176.9 | -178.7 | 0 | 114 | D406 D407 N408 I409 W416 P417 | D406-K412 WeakPolarHBondContact O-CE 3.07Å; D407-K412 IonicContact OD1-NZ 3.6Å; D407-K412 PolarHBondContact OD1-NZ 3.34Å; N408-K412 PolarHBondContact O-N 3.43Å; I409-K412 PolarHBondContact O-N 3.37Å; K412-W416 HydrophobicContact CB-CE3 4.2Å; K412-W416 HydrophobicContact CB-CZ3 4.26Å; K412-W416 HydrophobicContact CD-CZ3 4.37Å; K412-W416 HydrophobicContact CG-CE3 3.77Å; K412-W416 HydrophobicContact CG-CH2 3.81Å; K412-W416 HydrophobicContact CG-CZ3 3.35Å; K412-P417 WeakPolarHBondContact O-CD 3.42Å |
| 413 | L | 86.1 | Confident | 79.1 | Confident | 45 Ų | 45 | 43.7 Ų | 43.7 | 24% | 0.236 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -87.9 | -27.8 | -169.6 | -64.9 | -178.1 | 0 | 0 | 0 | 114.4 | F352 I409 | F352-L413 HydrophobicContact CB-CD1 3.96Å; I409-L413 HydrophobicContact CG2-CD1 3.37Å; I409-L413 HydrophobicContact CG2-CG 3.87Å; I409-L413 WeakPolarHBondContact O-CB 3.5Å; I409-L413 WeakPolarHBondContact O-CG 3.35Å; I409-L413 PolarHBondContact O-N 3.03Å |
| 414 | L | 88.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -121.7 | -57.7 | -173.9 | -74.5 | 178.4 | 0 | 0 | 0 | 112.6 | L359 L360 V392 L395 G410 P417 L418 | L359-L414 HydrophobicContact CB-CD2 4.13Å; L359-L414 HydrophobicContact CD1-CD1 4.23Å; L359-L414 HydrophobicContact CD1-CD2 4.33Å; L360-L414 HydrophobicContact CD2-CD2 4.34Å; L360-L414 HydrophobicContact CG-CD2 4.13Å; V392-L414 HydrophobicContact CG1-CB 4.36Å; V392-L414 HydrophobicContact CG2-CB 4.18Å; V392-L414 HydrophobicContact CG2-CD1 4.24Å; L395-L414 HydrophobicContact CB-CD1 4.33Å; L395-L414 HydrophobicContact CD2-CD1 3.62Å; L395-L414 HydrophobicContact CD2-CG 4.32Å; G410-L414 PolarHBondContact O-N 3.33Å; L414-P417 WeakPolarHBondContact O-CD 3.39Å; L414-L418 WeakPolarHBondContact O-CD1 3.32Å; L414-L418 VanDerWaalsContact O-CG 3.23Å; L414-L418 WeakPolarHBondContact O-CG 3.48Å; L414-L418 PolarHBondContact O-N 3.47Å |
| 415 | L | 88.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -66.6 | -50 | -171.5 | -175.6 | 62.2 | 0 | 0 | 0 | 112.1 | V392 G410 K411 L418 I419 L469 V479 E482 | V392-L415 HydrophobicContact CG1-CB 4.39Å; V392-L415 HydrophobicContact CG1-CD1 4.27Å; G410-L415 PolarHBondContact O-N 3.35Å; K411-L415 HydrophobicContact CG-CD2 4.39Å; K411-L415 PolarHBondContact O-N 3.01Å; L415-L418 WeakPolarHBondContact O-CA 3.26Å; L415-L418 WeakPolarHBondContact O-CB 3.45Å; L415-L418 PolarHBondContact O-N 2.9Å; L415-I419 HydrophobicContact CD1-CD1 4.05Å; L415-I419 HydrophobicContact CD1-CG2 4.31Å; L415-I419 HydrophobicContact CD2-CD1 4.24Å; L415-I419 HydrophobicContact CG-CD1 3.79Å; L415-I419 HydrophobicContact CG-CG1 4.35Å; L415-I419 WeakPolarHBondContact O-CG1 3.42Å; L415-I419 PolarHBondContact O-N 3.47Å; L415-L469 HydrophobicContact CD1-CD1 4.04Å; L415-V479 HydrophobicContact CD1-CG1 3.86Å; L415-V479 HydrophobicContact CD1-CG2 4.41Å; L415-V479 HydrophobicContact CD2-CG1 4.48Å; L415-V479 HydrophobicContact CD2-CG2 4.21Å; L415-E482 HydrophobicContact CD2-CB 4.05Å; L415-E482 HydrophobicContact CD2-CG 4.2Å |
| 416 | W | 89.1 | Confident | 83.1 | Confident | 63 Ų | 63 | 36.5 Ų | 36.5 | 24% | 0.239 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.4 | -38.7 | -176.7 | -63 | -17.9 | 0 | 0 | 0 | 113.8 | K411 K412 L418 G420 R423 | K411-W416 HydrophobicContact CB-CD2 4.26Å; K411-W416 HydrophobicContact CB-CZ2 4.01Å; K411-W416 HydrophobicContact CD-CZ2 4.41Å; K411-W416 WeakPolarHBondContact O-CB 3.17Å; K411-W416 PolarHBondContact O-N 3.36Å; K412-W416 HydrophobicContact CB-CE3 4.2Å; K412-W416 HydrophobicContact CB-CZ3 4.26Å; K412-W416 HydrophobicContact CD-CZ3 4.37Å; K412-W416 HydrophobicContact CG-CE3 3.77Å; K412-W416 HydrophobicContact CG-CH2 3.81Å; K412-W416 HydrophobicContact CG-CZ3 3.35Å; W416-L418 PolarHBondContact O-N 3Å; W416-G420 WeakPolarHBondContact O-CA 3.29Å; W416-G420 PolarHBondContact O-N 3.02Å; W416-R423 VanDerWaalsContact CD1-NH1 3.27Å; W416-R423 VanDerWaalsContact NE1-NH1 3.13Å |
| 417 | P | 87.9 | Confident | 83.8 | Confident | 71 Ų | 71 | 34.1 Ų | 34.1 | 46% | 0.461 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -57.9 | -33.3 | 168.7 | -29.8 | 36.8 | 0 | 0 | 0 | 113.9 | L360 K412 L414 | L360-P417 HydrophobicContact CD1-CB 4Å; L360-P417 HydrophobicContact CD1-CG 4.26Å; L360-P417 HydrophobicContact CD2-CB 4.12Å; K412-P417 WeakPolarHBondContact O-CD 3.42Å; L414-P417 WeakPolarHBondContact O-CD 3.39Å |
| 418 | L | 86.9 | Confident | 84 | Confident | 12 Ų | 12 | 32 Ų | 32 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -78.2 | -40.5 | -179.2 | -68 | 173.2 | 0 | 0 | 0 | 112.9 | L360 I363 V392 L414 L415 W416 I465 | L360-L418 HydrophobicContact CD2-CD1 4.49Å; L360-L418 HydrophobicContact CD2-CD2 3.75Å; L360-L418 HydrophobicContact CD2-CG 3.87Å; I363-L418 HydrophobicContact CB-CD2 4.49Å; I363-L418 HydrophobicContact CD1-CD1 3.97Å; I363-L418 HydrophobicContact CD1-CD2 4.08Å; I363-L418 HydrophobicContact CG2-CD2 3.75Å; V392-L418 HydrophobicContact CG1-CD1 4.48Å; V392-L418 HydrophobicContact CG2-CD1 3.8Å; L414-L418 WeakPolarHBondContact O-CD1 3.32Å; L414-L418 VanDerWaalsContact O-CG 3.23Å; L414-L418 WeakPolarHBondContact O-CG 3.48Å; L414-L418 PolarHBondContact O-N 3.47Å; L415-L418 WeakPolarHBondContact O-CA 3.26Å; L415-L418 WeakPolarHBondContact O-CB 3.45Å; L415-L418 PolarHBondContact O-N 2.9Å; W416-L418 PolarHBondContact O-N 3Å; L418-I465 HydrophobicContact CB-CG2 4Å; L418-I465 HydrophobicContact CD2-CD1 4.32Å; L418-I465 HydrophobicContact CD2-CG2 4.45Å |
| 419 | I | 87.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -104.9 | 13 | -179 | 71.1 | -177.6 | 0 | 0 | 0 | 113.4 | L415 L421 L422 R423 I466 L469 L486 | L415-I419 HydrophobicContact CD1-CD1 4.05Å; L415-I419 HydrophobicContact CD1-CG2 4.31Å; L415-I419 HydrophobicContact CD2-CD1 4.24Å; L415-I419 HydrophobicContact CG-CD1 3.79Å; L415-I419 HydrophobicContact CG-CG1 4.35Å; L415-I419 WeakPolarHBondContact O-CG1 3.42Å; L415-I419 PolarHBondContact O-N 3.47Å; I419-L421 PolarHBondContact O-N 3.39Å; I419-L421 VanDerWaalsContact O-N 3.15Å; I419-L422 WeakPolarHBondContact O-CB 3.31Å; I419-L422 PolarHBondContact O-N 3.15Å; I419-R423 PolarHBondContact O-N 3.36Å; I419-R423 VanDerWaalsContact O-N 3.13Å; I419-I466 HydrophobicContact CG2-CG1 4.42Å; I419-L469 HydrophobicContact CG2-CD1 4.24Å; I419-L486 HydrophobicContact CD1-CD1 3.67Å; I419-L486 HydrophobicContact CG1-CD1 4.25Å |
| 420 | G | 84.8 | Confident | 80.3 | Confident | 21 Ų | 21 | 41.4 Ų | 41.4 | 22% | 0.216 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.7 | -29.1 | -170 | 0 | 0 | 0 | 0 | 0 | 113.5 | W416 R423 K424 | W416-G420 WeakPolarHBondContact O-CA 3.29Å; W416-G420 PolarHBondContact O-N 3.02Å; G420-R423 WeakPolarHBondContact O-CB 3.42Å; G420-R423 PolarHBondContact O-N 2.81Å; G420-K424 WeakPolarHBondContact O-CG 3.48Å; G420-K424 PolarHBondContact O-N 2.92Å |
| 421 | L | 84.2 | Confident | 77.8 | Confident | 36 Ų | 36 | 48 Ų | 48 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.8 | -38.8 | 175.9 | -175.1 | 133.1 | 0 | 0 | 0 | 111.9 | I419 R423 K424 F425 A454 D458 L459 L462 | I419-L421 PolarHBondContact O-N 3.39Å; I419-L421 VanDerWaalsContact O-N 3.15Å; L421-R423 VanDerWaalsContact C-N 3.3Å; L421-R423 PolarHBondContact O-N 2.85Å; L421-K424 WeakPolarHBondContact O-CB 3.38Å; L421-K424 PolarHBondContact O-N 3.29Å; L421-F425 HydrophobicContact CD2-CE1 4.09Å; L421-F425 HydrophobicContact CD2-CE2 3.7Å; L421-F425 HydrophobicContact CD2-CZ 3.28Å; L421-F425 HydrophobicContact CG-CE1 4.19Å; L421-F425 HydrophobicContact CG-CZ 3.88Å; L421-F425 WeakPolarHBondContact O-CD1 3.01Å; L421-F425 WeakPolarHBondContact O-CG 3.42Å; L421-F425 PolarHBondContact O-N 2.96Å; L421-A454 HydrophobicContact CD1-CB 3.71Å; L421-A454 HydrophobicContact CD2-CB 3.86Å; L421-A454 HydrophobicContact CG-CB 4.06Å; L421-D458 HydrophobicContact CD1-CB 3.76Å; L421-L459 HydrophobicContact CD2-CD2 3.98Å; L421-L462 HydrophobicContact CB-CD1 3.88Å; L421-L462 HydrophobicContact CD2-CB 4.28Å; L421-L462 HydrophobicContact CD2-CD1 3.94Å; L421-L462 HydrophobicContact CD2-CD2 4.28Å; L421-L462 HydrophobicContact CD2-CG 4.38Å |
| 422 | L | 84.5 | Confident | 75 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.5 | -34.8 | 172.1 | -167.6 | 68.3 | 0 | 0 | 0 | 111.8 | I419 F425 L462 I466 L486 P489 L490 | I419-L422 WeakPolarHBondContact O-CB 3.31Å; I419-L422 PolarHBondContact O-N 3.15Å; L422-F425 HydrophobicContact CD1-CD2 4.08Å; L422-F425 WeakPolarHBondContact O-CB 3.37Å; L422-F425 PolarHBondContact O-N 3.38Å; L422-L462 HydrophobicContact CB-CD1 3.92Å; L422-L462 HydrophobicContact CB-CD2 4.23Å; L422-L462 HydrophobicContact CD1-CD2 4.2Å; L422-I466 HydrophobicContact CD2-CD1 3.94Å; L422-L486 HydrophobicContact CD2-CB 3.51Å; L422-L486 HydrophobicContact CD2-CD1 4.45Å; L422-L486 WeakPolarHBondContact CD2-O 3.28Å; L422-L486 HydrophobicContact CG-CB 3.85Å; L422-L486 WeakPolarHBondContact CG-O 3.3Å; L422-P489 HydrophobicContact CD1-CB 3.96Å; L422-P489 HydrophobicContact CD1-CG 4.17Å; L422-L490 HydrophobicContact CD1-CD2 3.85Å; L422-L490 HydrophobicContact CD1-CG 3.96Å; L422-L490 HydrophobicContact CD2-CD1 4.41Å |
| 423 | R | 86.6 | Confident | 72.5 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 22% | 0.219 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -39 | 172.2 | -69.5 | -170.1 | 65.1 | 171.6 | 1.9 | 112.8 | W416 I419 G420 L421 F425 C426 I428 L486 | W416-R423 VanDerWaalsContact CD1-NH1 3.27Å; W416-R423 VanDerWaalsContact NE1-NH1 3.13Å; I419-R423 PolarHBondContact O-N 3.36Å; I419-R423 VanDerWaalsContact O-N 3.13Å; G420-R423 WeakPolarHBondContact O-CB 3.42Å; G420-R423 PolarHBondContact O-N 2.81Å; L421-R423 VanDerWaalsContact C-N 3.3Å; L421-R423 PolarHBondContact O-N 2.85Å; R423-F425 PolarHBondContact O-N 3.08Å; R423-C426 PolarHBondContact O-N 2.95Å; R423-I428 HydrophobicContact CB-CD1 3.88Å; R423-I428 HydrophobicContact CG-CD1 4.08Å; R423-I428 VanDerWaalsContact NE-CD1 3.35Å; R423-L486 HydrophobicContact CG-CD1 3.58Å; R423-L486 HydrophobicContact CG-CD2 3.98Å; R423-L486 HydrophobicContact CG-CG 4.46Å |
| 424 | K | 84.1 | Confident | 69.6 | Low | 136 Ų | 136 | 59.9 Ų | 59.9 | 59% | 0.591 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.5 | -26.3 | 176.6 | -72.6 | 178.9 | 179.5 | -174.4 | 0 | 112.8 | G420 L421 C426 Q577 | G420-K424 WeakPolarHBondContact O-CG 3.48Å; G420-K424 PolarHBondContact O-N 2.92Å; L421-K424 WeakPolarHBondContact O-CB 3.38Å; L421-K424 PolarHBondContact O-N 3.29Å; K424-C426 VanDerWaalsContact C-N 3.31Å; K424-Q577 PolarHBondContact O-NE2 2.92Å |
| 425 | F | 83.9 | Confident | 66.8 | Low | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.009 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.4 | -22.8 | 177.2 | -59 | -18.1 | 0 | 0 | 0 | 113.2 | L421 L422 R423 L453 A454 L459 P489 Q577 L580 F582 C615 | L421-F425 HydrophobicContact CD2-CE1 4.09Å; L421-F425 HydrophobicContact CD2-CE2 3.7Å; L421-F425 HydrophobicContact CD2-CZ 3.28Å; L421-F425 HydrophobicContact CG-CE1 4.19Å; L421-F425 HydrophobicContact CG-CZ 3.88Å; L421-F425 WeakPolarHBondContact O-CD1 3.01Å; L421-F425 WeakPolarHBondContact O-CG 3.42Å; L421-F425 PolarHBondContact O-N 2.96Å; L422-F425 HydrophobicContact CD1-CD2 4.08Å; L422-F425 WeakPolarHBondContact O-CB 3.37Å; L422-F425 PolarHBondContact O-N 3.38Å; R423-F425 PolarHBondContact O-N 3.08Å; F425-L453 HydrophobicContact CD1-CB 4.38Å; F425-L453 HydrophobicContact CD1-CD1 3.96Å; F425-L453 HydrophobicContact CE1-CB 3.9Å; F425-L453 HydrophobicContact CE1-CD1 4.28Å; F425-A454 HydrophobicContact CE1-CB 4.14Å; F425-A454 HydrophobicContact CZ-CB 3.82Å; F425-L459 HydrophobicContact CE2-CD2 3.72Å; F425-L459 HydrophobicContact CZ-CD2 3.68Å; F425-P489 HydrophobicContact CB-CB 4.03Å; F425-P489 HydrophobicContact CB-CG 3.73Å; F425-P489 HydrophobicContact CD2-CB 3.94Å; F425-P489 HydrophobicContact CD2-CG 4.44Å; F425-P489 HydrophobicContact CG-CB 4.47Å; F425-Q577 PolarHBondContact O-N 3.01Å; F425-Q577 VanDerWaalsContact O-N 3.14Å; F425-L580 HydrophobicContact CB-CD1 3.6Å; F425-L580 HydrophobicContact CD1-CD1 3.95Å; F425-L580 HydrophobicContact CG-CD1 3.89Å; F425-F582 HydrophobicContact CE2-CE1 4.36Å; F425-C615 HydrophobicContact CE1-CB 3.9Å; F425-C615 WeakPolarHBondContact CE1-SG 3.22Å; F425-C615 HydrophobicContact CZ-CB 3.85Å |
| 426 | C | 82.1 | Confident | 64 | Low | 6 Ų | 6 | 74.6 Ų | 74.6 | 4% | 0.041 | 42% | 0.419 | C | S | . | . | B | Isolated β-bridge | trans | -97.1 | 149.5 | -177.5 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | R423 K424 I428 L486 S575 | R423-C426 PolarHBondContact O-N 2.95Å; K424-C426 VanDerWaalsContact C-N 3.31Å; C426-I428 HydrophobicContact CB-CG1 4.22Å; C426-I428 PolarHBondContact O-N 3.26Å; C426-L486 HydrophobicContact CB-CD2 4.06Å; C426-S575 CarbonylContact C-O 3.49Å; C426-S575 WeakPolarHBondContact CA-O 3.39Å |
| 427 | Q | 72.8 | Confident | 61.2 | Low | 83 Ų | 83 | 79.8 Ų | 79.8 | 39% | 0.388 | 45% | 0.448 | S | S | . | . | trans | -83.8 | 91 | 169.4 | -69.9 | 176.2 | -17.6 | 0 | 0 | 109.4 | S575 Q577 | Q427-S575 PolarHBondContact N-O 2.92Å; Q427-S575 PolarHBondContact OE1-OG 3.41Å; Q427-Q577 HydrophobicContact CG-CG 4.02Å | ||
| 428 | I | 70.2 | Confident | 58.5 | Low | 45 Ų | 45 | 84.2 Ų | 84.2 | 23% | 0.231 | 47% | 0.467 | C | S | . | . | trans | -91 | 120.4 | 176.3 | -54.9 | 173.4 | 0 | 0 | 0 | 107.9 | R423 C426 S430 L486 Y574 | R423-I428 HydrophobicContact CB-CD1 3.88Å; R423-I428 HydrophobicContact CG-CD1 4.08Å; R423-I428 VanDerWaalsContact NE-CD1 3.35Å; C426-I428 HydrophobicContact CB-CG1 4.22Å; C426-I428 PolarHBondContact O-N 3.26Å; I428-S430 PolarHBondContact O-N 3.42Å; I428-L486 HydrophobicContact CD1-CD2 4.33Å; I428-Y574 HydrophobicContact CG1-CD2 4.37Å | ||
| 429 | S | 49.2 | Very low | 56 | Low | 124 Ų | 124 | 91.3 Ų | 91.3 | 87% | 0.867 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -72.7 | 70.6 | -178.3 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 430 | S | 35.5 | Very low | 53.3 | Low | 84 Ų | 84 | 97.8 Ų | 97.8 | 59% | 0.587 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -166.7 | 124.5 | 159.7 | 61 | 0 | 0 | 0 | 0 | 109.3 | I428 | I428-S430 PolarHBondContact O-N 3.42Š|
| 431 | V | 31.2 | Very low | 50.7 | Low | 138 Ų | 138 | 104.5 Ų | 104.5 | 84% | 0.836 | 57% | 0.569 | S | S | * | * | trans | 91.1 | 106.3 | 176.2 | -165.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 432 | S | 26.6 | Very low | 48.2 | Very low | 81 Ų | 81 | 107 Ų | 107 | 57% | 0.566 | 59% | 0.589 | S | S | * | * | trans | -49.5 | 134.5 | 162.8 | 45.9 | 0 | 0 | 0 | 0 | 111.9 | E434 | S432-E434 PolarHBondContact O-N 3.5Š| ||
| 433 | P | 33.2 | Very low | 45.9 | Very low | 140 Ų | 140 | 114.7 Ų | 114.7 | 91% | 0.909 | 63% | 0.63 | S | S | * | * | trans | -81.2 | 64.9 | 169.1 | 36.4 | -31.5 | 0 | 0 | 0 | 108.6 | ||||
| 434 | E | 26.2 | Very low | 43.6 | Very low | 157 Ų | 157 | 116 Ų | 116 | 73% | 0.734 | 66% | 0.662 | S | S | * | * | trans | -110.2 | 114.2 | 164 | -71.7 | -172.3 | 175.6 | 0 | 0 | 106.3 | S432 | S432-E434 PolarHBondContact O-N 3.5Š| ||
| 435 | N | 29 | Very low | 41.7 | Very low | 150 Ų | 150 | 115.1 Ų | 115.1 | 80% | 0.802 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 90.1 | 80.7 | -179.5 | -47 | -37.6 | 0 | 0 | 0 | 115.5 | ||
| 436 | D | 28.8 | Very low | 39.9 | Very low | 160 Ų | 160 | 118.9 Ų | 118.9 | 86% | 0.856 | 68% | 0.678 | S | S | * | * | 175.5 | 80.8 | 126.8 | -86.6 | -15.8 | 0 | 0 | 0 | 108.9 | |||||
| 437 | M | 30 | Very low | 38.6 | Very low | 172 Ų | 172 | 128.4 Ų | 128.4 | 85% | 0.847 | 72% | 0.719 | S | S | * | * | trans | -132.8 | 69.2 | 170 | -85.7 | -65.3 | -44.7 | 0 | 0 | 108.8 | ||||
| 438 | L | 31 | Very low | 37.9 | Very low | 163 Ų | 163 | 126.6 Ų | 126.6 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | -143 | 102.8 | 157.4 | -79.8 | 173.2 | 0 | 0 | 0 | 105.6 | ||||
| 439 | I | 35.3 | Very low | 37.2 | Very low | 161 Ų | 161 | 125.3 Ų | 125.3 | 83% | 0.826 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -177.6 | 122 | 141.5 | -87.3 | 147.8 | 0 | 0 | 0 | 109.2 | ||
| 440 | D | 31.3 | Very low | 37.9 | Very low | 137 Ų | 137 | 126.4 Ų | 126.4 | 73% | 0.733 | 70% | 0.697 | S | S | * | * | trans | 66.2 | 80 | 156 | -60.1 | -10.8 | 0 | 0 | 0 | 121.5 | S442 | D440-S442 VanDerWaalsContact C-N 3.33Å; D440-S442 PolarHBondContact O-N 3.22Å | ||
| 441 | N | 29.4 | Very low | 39.6 | Very low | 162 Ų | 162 | 124.7 Ų | 124.7 | 87% | 0.866 | 69% | 0.685 | S | S | * | * | trans | -61.1 | 87 | 146.9 | -73 | -25.5 | 0 | 0 | 0 | 110.9 | ||||
| 442 | S | 30.7 | Very low | 41.8 | Very low | 88 Ų | 88 | 122.2 Ų | 122.2 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | trans | -156.5 | 85.6 | 159 | 61 | 0 | 0 | 0 | 0 | 110.9 | D440 | D440-S442 VanDerWaalsContact C-N 3.33Å; D440-S442 PolarHBondContact O-N 3.22Å | ||
| 443 | L | 36.9 | Very low | 44.3 | Very low | 162 Ų | 162 | 120.2 Ų | 120.2 | 85% | 0.848 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 167.3 | 134 | 146.5 | -88.7 | 145.8 | 0 | 0 | 0 | 107.6 | F445 | L443-F445 PolarHBondContact O-N 2.96Å; L443-F445 VanDerWaalsContact O-N 3.16Å |
| 444 | G | 38.5 | Very low | 46.6 | Very low | 86 Ų | 86 | 113.7 Ų | 113.7 | 89% | 0.887 | 60% | 0.604 | S | S | * | * | trans | -55.9 | 112.3 | -161.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 445 | F | 44.2 | Very low | 49.3 | Very low | 116 Ų | 116 | 107.5 Ų | 107.5 | 51% | 0.509 | 58% | 0.579 | S | S | . | * | trans | -78.9 | 133 | 166.7 | -68 | -77.8 | 0 | 0 | 0 | 110.1 | L443 | L443-F445 PolarHBondContact O-N 2.96Å; L443-F445 VanDerWaalsContact O-N 3.16Å | ||
| 446 | D | 46.7 | Very low | 51.8 | Low | 82 Ų | 82 | 102.8 Ų | 102.8 | 44% | 0.439 | 55% | 0.552 | S | S | . | * | trans | -62.5 | 136.1 | 162.1 | 170.7 | 15.3 | 0 | 0 | 0 | 108.9 | T448 T449 R583 | D446-T448 VanDerWaalsContact CG-OG1 3.24Å; D446-T448 PolarHBondContact O-N 3.01Å; D446-T448 PolarHBondContact OD1-N 3.31Å; D446-T448 PolarHBondContact OD1-OG1 3.3Å; D446-T448 PolarHBondContact OD2-OG1 3.42Å; D446-T449 PolarHBondContact O-N 3.47Å; D446-T449 PolarHBondContact O-OG1 2.71Å; D446-R583 IonicContact OD2-CZ 3.26Å; D446-R583 IonicContact OD2-NH1 2.91Å; D446-R583 PolarHBondContact OD2-NH1 2.64Å | ||
| 447 | F | 53.8 | Low | 54.3 | Low | 205 Ų | 205 | 99.9 Ų | 99.9 | 90% | 0.899 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -17.6 | -174.8 | -70.4 | -80 | 0 | 0 | 0 | 113.9 | N619 | F447-N619 PolarHBondContact O-ND2 3.41Š|
| 448 | T | 58 | Low | 56.8 | Low | 46 Ų | 46 | 95 Ų | 95 | 28% | 0.282 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -15 | 175.9 | 65.3 | 0 | 0 | 0 | 0 | 113.9 | D446 R583 I618 N619 | D446-T448 VanDerWaalsContact CG-OG1 3.24Å; D446-T448 PolarHBondContact O-N 3.01Å; D446-T448 PolarHBondContact OD1-N 3.31Å; D446-T448 PolarHBondContact OD1-OG1 3.3Å; D446-T448 PolarHBondContact OD2-OG1 3.42Å; T448-R583 PolarHBondContact OG1-NH2 2.76Å; T448-I618 WeakPolarHBondContact O-CG2 3.49Å; T448-N619 PolarHBondContact O-N 3.32Å |
| 449 | T | 56.6 | Low | 59.4 | Low | 17 Ų | 17 | 87.4 Ų | 87.4 | 10% | 0.104 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 133.5 | -173.4 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | D446 R583 V616 N619 | D446-T449 PolarHBondContact O-N 3.47Å; D446-T449 PolarHBondContact O-OG1 2.71Å; T449-R583 VanDerWaalsContact CG2-NH2 3.28Å; T449-V616 HydrophobicContact CG2-CG1 3.6Å; T449-N619 PolarHBondContact O-ND2 2.95Å |
| 450 | K | 63 | Low | 61.7 | Low | 148 Ų | 148 | 80.4 Ų | 80.4 | 64% | 0.643 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -45.4 | 176.7 | -165.1 | 175.2 | 176.7 | -178.6 | 0 | 112.3 | I617 N619 | K450-I617 HydrophobicContact CB-CB 4.3Å; K450-I617 HydrophobicContact CB-CG2 4.01Å; K450-I617 WeakPolarHBondContact CB-O 3.29Å; K450-I617 HydrophobicContact CD-CG2 4.18Å; K450-I617 PolarHBondContact N-O 3.24Å; K450-N619 WeakPolarHBondContact CA-OD1 3.4Å; K450-N619 WeakPolarHBondContact CB-OD1 3.19Å; K450-N619 WeakPolarHBondContact CG-OD1 3.47Å |
| 451 | C | 71.5 | Confident | 64.3 | Low | 48 Ų | 48 | 78.2 Ų | 78.2 | 32% | 0.324 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 140.4 | -175.2 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | V616 I617 | C451-V616 WeakPolarHBondContact O-CA 3.42Å; C451-V616 WeakPolarHBondContact O-CG1 3.46Å; C451-I617 PolarHBondContact N-O 3.39Å; C451-I617 PolarHBondContact O-N 3.34Å |
| 452 | Q | 77 | Confident | 67.1 | Low | 86 Ų | 86 | 70.8 Ų | 70.8 | 40% | 0.402 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 121 | 167.2 | -178.1 | 176 | -7.3 | 0 | 0 | 109.5 | A454 V616 | Q452-A454 PolarHBondContact NE2-O 3.08Å; Q452-V616 HydrophobicContact CB-CG2 4.5Å; Q452-V616 HydrophobicContact CG-CG2 4.38Å |
| 453 | L | 78.8 | Confident | 69.9 | Low | 39 Ų | 39 | 66.7 Ų | 66.7 | 20% | 0.204 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -31.7 | -179.6 | -70.2 | 177.5 | 0 | 0 | 0 | 113.3 | F425 L580 C615 I617 | F425-L453 HydrophobicContact CD1-CB 4.38Å; F425-L453 HydrophobicContact CD1-CD1 3.96Å; F425-L453 HydrophobicContact CE1-CB 3.9Å; F425-L453 HydrophobicContact CE1-CD1 4.28Å; L453-L580 HydrophobicContact CD1-CD1 4.33Å; L453-C615 HydrophobicContact CB-CB 4.46Å; L453-C615 PolarHBondContact N-O 3.09Å; L453-I617 HydrophobicContact CD1-CD1 3.81Å; L453-I617 HydrophobicContact CD1-CG1 3.64Å; L453-I617 HydrophobicContact CD2-CD1 3.84Å; L453-I617 HydrophobicContact CD2-CG1 4.38Å; L453-I617 HydrophobicContact CG-CD1 3.88Å; L453-I617 HydrophobicContact CG-CG1 3.84Å |
| 454 | A | 82.3 | Confident | 72.3 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 2% | 0.017 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 141.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L421 F425 Q452 D458 L459 C615 | L421-A454 HydrophobicContact CD1-CB 3.71Å; L421-A454 HydrophobicContact CD2-CB 3.86Å; L421-A454 HydrophobicContact CG-CB 4.06Å; F425-A454 HydrophobicContact CE1-CB 4.14Å; F425-A454 HydrophobicContact CZ-CB 3.82Å; Q452-A454 PolarHBondContact NE2-O 3.08Å; A454-D458 HydrophobicContact CB-CB 4.25Å; A454-L459 HydrophobicContact CB-CD2 4.14Å; A454-L459 HydrophobicContact CB-CG 4.02Å; A454-C615 HydrophobicContact CB-CB 3.85Å; A454-C615 PolarHBondContact N-O 3.2Å; A454-C615 PolarHBondContact O-N 2.74Å |
| 455 | S | 83.6 | Confident | 74.7 | Confident | 28 Ų | 28 | 57 Ų | 57 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | trans | -81.8 | 165.4 | 165.5 | 70.7 | 0 | 0 | 0 | 0 | 111.5 | H457 D458 L459 | S455-H457 VanDerWaalsContact C-N 3.26Å; S455-H457 PolarHBondContact O-N 3.32Å; S455-D458 WeakPolarHBondContact CB-OD2 3.27Å; S455-D458 PolarHBondContact N-OD2 3.13Å; S455-D458 WeakPolarHBondContact O-CB 3.34Å; S455-D458 PolarHBondContact O-N 3.44Å; S455-D458 VanDerWaalsContact O-N 3.12Å; S455-D458 PolarHBondContact OG-N 3.33Å; S455-D458 PolarHBondContact OG-OD2 3.15Å; S455-L459 PolarHBondContact O-N 2.78Å | ||
| 456 | H | 81 | Confident | 76.8 | Confident | 51 Ų | 51 | 51.5 Ų | 51.5 | 24% | 0.236 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.7 | -39.7 | 170.7 | 61.1 | -81.5 | 0 | 0 | 0 | 113.7 | L459 A460 L585 V611 Y613 N614 | H456-L459 PolarHBondContact O-N 3.01Å; H456-A460 WeakPolarHBondContact O-CB 3.3Å; H456-A460 PolarHBondContact O-N 3.33Å; H456-L585 HydrophobicContact CB-CD1 4.29Å; H456-V611 WeakPolarHBondContact CB-O 3.38Å; H456-Y613 WeakPolarHBondContact CA-O 3.17Å; H456-Y613 WeakPolarHBondContact CB-O 3.12Å; H456-Y613 PolarHBondContact N-O 2.7Å; H456-N614 PolarHBondContact N-OD1 3.18Å |
| 457 | H | 80 | Confident | 78.8 | Confident | 99 Ų | 99 | 51.2 Ų | 51.2 | 46% | 0.458 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.5 | -38.7 | 175.7 | -72.6 | -50 | 0 | 0 | 0 | 112.4 | S455 L459 A460 R461 | S455-H457 VanDerWaalsContact C-N 3.26Å; S455-H457 PolarHBondContact O-N 3.32Å; H457-L459 VanDerWaalsContact C-N 3.35Å; H457-A460 PolarHBondContact O-N 2.66Å; H457-R461 WeakPolarHBondContact O-CB 3.14Å; H457-R461 PolarHBondContact O-N 3.29Å |
| 458 | D | 83.4 | Confident | 80.4 | Confident | 70 Ų | 70 | 43.4 Ų | 43.4 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66 | -40.2 | 177.5 | -60.5 | -45.8 | 0 | 0 | 0 | 111.4 | L421 A454 S455 L462 | L421-D458 HydrophobicContact CD1-CB 3.76Å; A454-D458 HydrophobicContact CB-CB 4.25Å; S455-D458 WeakPolarHBondContact CB-OD2 3.27Å; S455-D458 PolarHBondContact N-OD2 3.13Å; S455-D458 WeakPolarHBondContact O-CB 3.34Å; S455-D458 PolarHBondContact O-N 3.44Å; S455-D458 VanDerWaalsContact O-N 3.12Å; S455-D458 PolarHBondContact OG-N 3.33Å; S455-D458 PolarHBondContact OG-OD2 3.15Å; D458-L462 WeakPolarHBondContact O-CB 3.46Å; D458-L462 PolarHBondContact O-N 2.88Å |
| 459 | L | 85.4 | Confident | 82 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.1 | -44.8 | 175.9 | -71.4 | 174.2 | 0 | 0 | 0 | 112 | L421 F425 A454 S455 H456 H457 R461 L462 L463 F582 V611 Y613 C615 | L421-L459 HydrophobicContact CD2-CD2 3.98Å; F425-L459 HydrophobicContact CE2-CD2 3.72Å; F425-L459 HydrophobicContact CZ-CD2 3.68Å; A454-L459 HydrophobicContact CB-CD2 4.14Å; A454-L459 HydrophobicContact CB-CG 4.02Å; S455-L459 PolarHBondContact O-N 2.78Å; H456-L459 PolarHBondContact O-N 3.01Å; H457-L459 VanDerWaalsContact C-N 3.35Å; L459-R461 VanDerWaalsContact C-N 3.31Å; L459-R461 PolarHBondContact O-N 3.4Å; L459-L462 WeakPolarHBondContact O-CB 3.36Å; L459-L462 PolarHBondContact O-N 2.96Å; L459-L463 WeakPolarHBondContact O-CG 3.48Å; L459-L463 PolarHBondContact O-N 3.25Å; L459-F582 HydrophobicContact CD1-CD1 4.15Å; L459-F582 HydrophobicContact CD1-CE1 4.34Å; L459-F582 HydrophobicContact CD2-CE1 4.27Å; L459-V611 HydrophobicContact CB-CB 4.36Å; L459-V611 HydrophobicContact CB-CG1 3.82Å; L459-V611 HydrophobicContact CB-CG2 4.4Å; L459-V611 HydrophobicContact CD1-CG1 4.07Å; L459-Y613 WeakPolarHBondContact CD1-O 3.37Å; L459-C615 HydrophobicContact CD1-CB 4.41Å |
| 460 | A | 85 | Confident | 83.4 | Confident | 14 Ų | 14 | 40.6 Ų | 40.6 | 12% | 0.116 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.7 | -47.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | H456 H457 L462 L463 E464 V609 V611 | H456-A460 WeakPolarHBondContact O-CB 3.3Å; H456-A460 PolarHBondContact O-N 3.33Å; H457-A460 PolarHBondContact O-N 2.66Å; A460-L462 PolarHBondContact O-N 3.33Å; A460-L463 PolarHBondContact O-N 3.19Å; A460-E464 WeakPolarHBondContact O-CG 3.19Å; A460-E464 PolarHBondContact O-N 3.05Å; A460-V609 VanDerWaalsContact CB-O 3.29Å; A460-V609 WeakPolarHBondContact CB-O 2.97Å; A460-V611 HydrophobicContact CB-CB 4.39Å; A460-V611 HydrophobicContact CB-CG2 3.8Å |
| 461 | R | 84.5 | Confident | 84.5 | Confident | 90 Ų | 90 | 37.3 Ų | 37.3 | 34% | 0.34 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 176.9 | 179.8 | 174.9 | -179.8 | -175.3 | -2.4 | 112.6 | N364 H457 L459 E464 I465 | N364-R461 PolarHBondContact OD1-NH2 3.15Å; H457-R461 WeakPolarHBondContact O-CB 3.14Å; H457-R461 PolarHBondContact O-N 3.29Å; L459-R461 VanDerWaalsContact C-N 3.31Å; L459-R461 PolarHBondContact O-N 3.4Å; R461-E464 PolarHBondContact O-N 2.74Å; R461-I465 HydrophobicContact CG-CD1 3.92Å; R461-I465 VanDerWaalsContact O-CG1 3.28Å; R461-I465 WeakPolarHBondContact O-CG1 3.28Å; R461-I465 PolarHBondContact O-N 3.09Å |
| 462 | L | 88.5 | Confident | 85 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60 | -47.7 | 176.3 | -179.6 | 105.6 | 0 | 0 | 0 | 110.7 | L421 L422 D458 L459 A460 E464 I465 I466 L490 | L421-L462 HydrophobicContact CB-CD1 3.88Å; L421-L462 HydrophobicContact CD2-CB 4.28Å; L421-L462 HydrophobicContact CD2-CD1 3.94Å; L421-L462 HydrophobicContact CD2-CD2 4.28Å; L421-L462 HydrophobicContact CD2-CG 4.38Å; L422-L462 HydrophobicContact CB-CD1 3.92Å; L422-L462 HydrophobicContact CB-CD2 4.23Å; L422-L462 HydrophobicContact CD1-CD2 4.2Å; D458-L462 WeakPolarHBondContact O-CB 3.46Å; D458-L462 PolarHBondContact O-N 2.88Å; L459-L462 WeakPolarHBondContact O-CB 3.36Å; L459-L462 PolarHBondContact O-N 2.96Å; A460-L462 PolarHBondContact O-N 3.33Å; L462-E464 PolarHBondContact O-N 2.85Å; L462-I465 PolarHBondContact O-N 3.47Å; L462-I466 HydrophobicContact CD1-CD1 4.49Å; L462-I466 HydrophobicContact CD2-CD1 3.76Å; L462-I466 HydrophobicContact CG-CD1 3.79Å; L462-I466 VanDerWaalsContact O-CG1 3.3Å; L462-I466 WeakPolarHBondContact O-CG1 3.37Å; L462-I466 PolarHBondContact O-N 2.85Å; L462-L490 HydrophobicContact CD2-CD2 4.45Å |
| 463 | L | 89.1 | Confident | 84.9 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | -179.8 | -67.3 | 178.3 | 0 | 0 | 0 | 112 | L459 A460 I466 K467 L490 L513 L517 I520 V609 V611 | L459-L463 WeakPolarHBondContact O-CG 3.48Å; L459-L463 PolarHBondContact O-N 3.25Å; A460-L463 PolarHBondContact O-N 3.19Å; L463-I466 PolarHBondContact O-N 3.08Å; L463-K467 VanDerWaalsContact O-CB 3.26Å; L463-K467 WeakPolarHBondContact O-CB 3.33Å; L463-K467 PolarHBondContact O-N 2.96Å; L463-L490 HydrophobicContact CD2-CD2 3.72Å; L463-L513 HydrophobicContact CD1-CD1 3.44Å; L463-L513 VanDerWaalsContact CD1-CD1 3.44Å; L463-L517 HydrophobicContact CD1-CD2 4.29Å; L463-L517 HydrophobicContact CD2-CD2 3.69Å; L463-I520 HydrophobicContact CB-CD1 4.48Å; L463-I520 HydrophobicContact CD2-CD1 4Å; L463-V609 HydrophobicContact CD1-CG1 4.43Å; L463-V611 HydrophobicContact CD1-CG2 3.85Å |
| 464 | E | 87.1 | Confident | 84.8 | Confident | 38 Ų | 38 | 41.7 Ų | 41.7 | 18% | 0.178 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 174.4 | -75 | 178.4 | -178.6 | 0 | 0 | 112.2 | A460 R461 L462 K467 D468 S608 V609 | A460-E464 WeakPolarHBondContact O-CG 3.19Å; A460-E464 PolarHBondContact O-N 3.05Å; R461-E464 PolarHBondContact O-N 2.74Å; L462-E464 PolarHBondContact O-N 2.85Å; E464-K467 PolarHBondContact O-N 2.8Å; E464-D468 WeakPolarHBondContact O-CB 3.47Å; E464-D468 PolarHBondContact O-N 3.48Å; E464-S608 WeakPolarHBondContact OE1-CA 3.37Å; E464-S608 WeakPolarHBondContact OE1-CB 3.36Å; E464-V609 PolarHBondContact OE1-N 3.48Å |
| 465 | I | 88.5 | Confident | 84.7 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -44.4 | 177.7 | -71.5 | 168.7 | 0 | 0 | 0 | 110.9 | M389 L418 R461 L462 K467 D468 L469 | M389-I465 HydrophobicContact CE-CG2 4.29Å; L418-I465 HydrophobicContact CB-CG2 4Å; L418-I465 HydrophobicContact CD2-CD1 4.32Å; L418-I465 HydrophobicContact CD2-CG2 4.45Å; R461-I465 HydrophobicContact CG-CD1 3.92Å; R461-I465 VanDerWaalsContact O-CG1 3.28Å; R461-I465 WeakPolarHBondContact O-CG1 3.28Å; R461-I465 PolarHBondContact O-N 3.09Å; L462-I465 PolarHBondContact O-N 3.47Å; I465-K467 VanDerWaalsContact C-N 3.34Å; I465-D468 PolarHBondContact O-N 2.85Å; I465-L469 HydrophobicContact CG2-CD1 4Å; I465-L469 HydrophobicContact CG2-CG 4.44Å; I465-L469 WeakPolarHBondContact O-CB 3.27Å; I465-L469 VanDerWaalsContact O-CG 3.26Å; I465-L469 WeakPolarHBondContact O-CG 3.4Å; I465-L469 PolarHBondContact O-N 3.07Å |
| 466 | I | 90.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 178.1 | -69.1 | 168.1 | 0 | 0 | 0 | 110.2 | I419 L422 L462 L463 L469 L470 I483 L490 I520 | I419-I466 HydrophobicContact CG2-CG1 4.42Å; L422-I466 HydrophobicContact CD2-CD1 3.94Å; L462-I466 HydrophobicContact CD1-CD1 4.49Å; L462-I466 HydrophobicContact CD2-CD1 3.76Å; L462-I466 HydrophobicContact CG-CD1 3.79Å; L462-I466 VanDerWaalsContact O-CG1 3.3Å; L462-I466 WeakPolarHBondContact O-CG1 3.37Å; L462-I466 PolarHBondContact O-N 2.85Å; L463-I466 PolarHBondContact O-N 3.08Å; I466-L469 PolarHBondContact O-N 2.98Å; I466-L470 HydrophobicContact CG2-CD1 3.99Å; I466-L470 WeakPolarHBondContact O-CG 3.38Å; I466-L470 PolarHBondContact O-N 3.07Å; I466-I483 HydrophobicContact CG2-CG2 4.23Å; I466-L490 HydrophobicContact CD1-CD1 4.23Å; I466-L490 HydrophobicContact CD1-CD2 4.45Å; I466-I520 HydrophobicContact CB-CD1 4.48Å; I466-I520 HydrophobicContact CG2-CD1 4.13Å; I466-I520 HydrophobicContact CG2-CG1 4.35Å; I466-I520 HydrophobicContact CG2-CG2 3.74Å |
| 467 | K | 88.6 | Confident | 84.8 | Confident | 76 Ų | 76 | 42.2 Ų | 42.2 | 33% | 0.33 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.8 | -52 | 175.6 | -178.5 | 177 | 179.1 | -179.8 | 0 | 111.1 | L463 E464 I465 L469 L470 D471 W519 I520 | L463-K467 VanDerWaalsContact O-CB 3.26Å; L463-K467 WeakPolarHBondContact O-CB 3.33Å; L463-K467 PolarHBondContact O-N 2.96Å; E464-K467 PolarHBondContact O-N 2.8Å; I465-K467 VanDerWaalsContact C-N 3.34Å; K467-L469 VanDerWaalsContact C-N 3.29Å; K467-L469 PolarHBondContact O-N 3.18Å; K467-L470 CarbonylContact O-C 3.58Å; K467-L470 PolarHBondContact O-N 3.43Å; K467-D471 WeakPolarHBondContact CG-OD2 3.48Å; K467-D471 WeakPolarHBondContact O-CB 3.31Å; K467-D471 PolarHBondContact O-N 3.39Å; K467-W519 HydrophobicContact CB-CZ3 4.26Å; K467-W519 HydrophobicContact CG-CE3 3.98Å; K467-W519 HydrophobicContact CG-CH2 4.26Å; K467-W519 HydrophobicContact CG-CZ3 3.66Å; K467-I520 HydrophobicContact CB-CD1 4.49Å; K467-I520 HydrophobicContact CB-CG1 4.49Å |
| 468 | D | 87.5 | Confident | 85 | Confident | 42 Ų | 42 | 38.5 Ų | 38.5 | 23% | 0.225 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.6 | -33.6 | 179.3 | -75.5 | -19 | 0 | 0 | 0 | 112.7 | K366 Y385 M389 E464 I465 | K366-D468 IonicContact NZ-OD2 3.02Å; K366-D468 PolarHBondContact NZ-OD2 3.09Å; K366-D468 VanDerWaalsContact NZ-OD2 3.12Å; Y385-D468 HydrophobicContact CE1-CB 4.02Å; Y385-D468 WeakPolarHBondContact CE1-OD2 3.33Å; Y385-D468 PolarHBondContact OH-OD2 3Å; M389-D468 HydrophobicContact CE-CB 4.32Å; E464-D468 WeakPolarHBondContact O-CB 3.47Å; E464-D468 PolarHBondContact O-N 3.48Å; I465-D468 PolarHBondContact O-N 2.85Å |
| 469 | L | 90 | Very high | 85.2 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.5 | -37.9 | 173.1 | -76.2 | 170.6 | 0 | 0 | 0 | 111.8 | M389 V392 H393 L415 I419 I465 I466 K467 I483 | M389-L469 HydrophobicContact SD-CD2 3.79Å; M389-L469 HydrophobicContact SD-CG 4.17Å; V392-L469 HydrophobicContact CB-CD2 4.32Å; V392-L469 HydrophobicContact CG1-CD2 4.08Å; H393-L469 PolarHBondContact CE1-O 2.92Å; H393-L469 VanDerWaalsContact CE1-O 3.27Å; H393-L469 PolarHBondContact NE2-O 3.03Å; L415-L469 HydrophobicContact CD1-CD1 4.04Å; I419-L469 HydrophobicContact CG2-CD1 4.24Å; I465-L469 HydrophobicContact CG2-CD1 4Å; I465-L469 HydrophobicContact CG2-CG 4.44Å; I465-L469 WeakPolarHBondContact O-CB 3.27Å; I465-L469 VanDerWaalsContact O-CG 3.26Å; I465-L469 WeakPolarHBondContact O-CG 3.4Å; I465-L469 PolarHBondContact O-N 3.07Å; I466-L469 PolarHBondContact O-N 2.98Å; K467-L469 VanDerWaalsContact C-N 3.29Å; K467-L469 PolarHBondContact O-N 3.18Å; L469-I483 HydrophobicContact CB-CD1 4.45Å; L469-I483 HydrophobicContact CD1-CD1 4.38Å |
| 470 | L | 87.6 | Confident | 85.2 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -82.4 | -24.6 | -179.7 | -66.5 | 175.1 | 0 | 0 | 0 | 113.8 | I466 K467 C472 I480 I483 W519 I520 R523 L524 | I466-L470 HydrophobicContact CG2-CD1 3.99Å; I466-L470 WeakPolarHBondContact O-CG 3.38Å; I466-L470 PolarHBondContact O-N 3.07Å; K467-L470 CarbonylContact O-C 3.58Å; K467-L470 PolarHBondContact O-N 3.43Å; L470-C472 PolarHBondContact O-N 3.22Å; L470-I480 HydrophobicContact CD2-CG1 4.45Å; L470-I483 HydrophobicContact CD2-CD1 4.37Å; L470-W519 HydrophobicContact CB-CH2 3.96Å; L470-W519 HydrophobicContact CB-CZ3 3.96Å; L470-W519 HydrophobicContact CD1-CZ3 4.44Å; L470-I520 HydrophobicContact CD1-CB 4.44Å; L470-I520 HydrophobicContact CD1-CG2 3.87Å; L470-R523 HydrophobicContact CB-CG 3.98Å; L470-R523 HydrophobicContact CD1-CB 4.45Å; L470-R523 HydrophobicContact CD1-CG 4.45Å; L470-L524 HydrophobicContact CD1-CD2 4.03Å; L470-L524 HydrophobicContact CD1-CG 4.09Å; L470-L524 HydrophobicContact CD2-CD2 3.71Å |
| 471 | D | 85.3 | Confident | 85.3 | Confident | 79 Ų | 79 | 36.4 Ų | 36.4 | 42% | 0.422 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -75.5 | -6.8 | 175.4 | -89.5 | -32.4 | 0 | 0 | 0 | 113.4 | K467 W519 | K467-D471 WeakPolarHBondContact CG-OD2 3.48Å; K467-D471 WeakPolarHBondContact O-CB 3.31Å; K467-D471 PolarHBondContact O-N 3.39Å; D471-W519 HydrophobicContact CB-CH2 4.32Å; D471-W519 VanDerWaalsContact CG-CH2 3.4Å; D471-W519 WeakPolarHBondContact OD1-CH2 2.89Å; D471-W519 WeakPolarHBondContact OD1-CZ2 3.02Å |
| 472 | C | 82.2 | Confident | 85.4 | Confident | 12 Ų | 12 | 33 Ų | 33 | 8% | 0.081 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -61.1 | 133.2 | 176.1 | -161.4 | 0 | 0 | 0 | 0 | 110.6 | L470 E474 P475 | L470-C472 PolarHBondContact O-N 3.22Å; C472-E474 PolarHBondContact O-N 3.34Å; C472-E474 VanDerWaalsContact O-N 3.15Å; C472-P475 VanDerWaalsContact O-CD 3.3Å; C472-P475 WeakPolarHBondContact O-CD 3.42Å |
| 473 | P | 74.3 | Confident | 85.4 | Confident | 115 Ų | 115 | 32.6 Ų | 32.6 | 75% | 0.747 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -62 | -26.9 | -174.1 | 20.8 | -33.1 | 0 | 0 | 0 | 114.3 | ||
| 474 | E | 76.1 | Confident | 85.3 | Confident | 138 Ų | 138 | 32.6 Ų | 32.6 | 65% | 0.645 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -134.7 | 82.3 | 173.9 | -68.3 | 179.4 | 173.7 | 0 | 0 | 108.4 | K390 C472 | K390-E474 PolarHBondContact NZ-O 3.34Å; C472-E474 PolarHBondContact O-N 3.34Å; C472-E474 VanDerWaalsContact O-N 3.15Å |
| 475 | P | 81.3 | Confident | 85.3 | Confident | 35 Ų | 35 | 33.4 Ų | 33.4 | 23% | 0.227 | 18% | 0.176 | C | C | . | . | trans | -73.9 | 139.5 | -179.1 | 29.6 | -28.2 | 0 | 0 | 0 | 109.9 | C472 Q477 I480 | C472-P475 VanDerWaalsContact O-CD 3.3Å; C472-P475 WeakPolarHBondContact O-CD 3.42Å; P475-Q477 PolarHBondContact O-N 3.26Å; P475-I480 HydrophobicContact CB-CD1 3.8Å; P475-I480 HydrophobicContact CB-CG1 4.15Å; P475-I480 HydrophobicContact CG-CD1 3.7Å | ||
| 476 | S | 83.5 | Confident | 85.3 | Confident | 8 Ų | 8 | 33.1 Ų | 33.1 | 6% | 0.056 | 18% | 0.175 | C | C | . | . | trans | -66.4 | 132 | 175.5 | 168.4 | 0 | 0 | 0 | 0 | 110 | H393 Q397 I478 V479 I480 | H393-S476 PolarHBondContact ND1-N 3.25Å; Q397-S476 PolarHBondContact OE1-OG 2.66Å; S476-I478 PolarHBondContact O-N 2.87Å; S476-I478 VanDerWaalsContact O-N 3.16Å; S476-I478 PolarHBondContact OG-N 3.24Å; S476-V479 PolarHBondContact O-N 3.44Å; S476-V479 VanDerWaalsContact O-N 3.1Å; S476-I480 WeakPolarHBondContact O-CG1 3.47Å; S476-I480 PolarHBondContact O-N 3.08Å; S476-I480 VanDerWaalsContact O-N 3.08Å | ||
| 477 | Q | 82.8 | Confident | 85.3 | Confident | 49 Ų | 49 | 33.1 Ų | 33.1 | 23% | 0.229 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.9 | -33.4 | 175.9 | -149.1 | 77.1 | -23.4 | 0 | 0 | 112.4 | P475 T481 N528 N530 | P475-Q477 PolarHBondContact O-N 3.26Å; Q477-T481 VanDerWaalsContact O-CB 3.3Å; Q477-T481 WeakPolarHBondContact O-CB 3.31Å; Q477-T481 PolarHBondContact O-N 3.37Å; Q477-T481 PolarHBondContact O-OG1 2.7Å; Q477-N528 PolarHBondContact NE2-O 3.45Å; Q477-N530 PolarHBondContact NE2-OD1 3.23Å |
| 478 | I | 83.5 | Confident | 85.3 | Confident | 21 Ų | 21 | 29.8 Ų | 29.8 | 11% | 0.108 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.7 | -45.4 | -179.8 | -62.2 | 167.9 | 0 | 0 | 0 | 110.2 | C396 S400 K411 S476 I480 T481 E482 | C396-I478 VanDerWaalsContact O-CD1 3.24Å; C396-I478 WeakPolarHBondContact O-CD1 3.01Å; S400-I478 VanDerWaalsContact CB-CD1 3.43Å; S400-I478 WeakPolarHBondContact OG-CD1 3.37Å; K411-I478 HydrophobicContact CD-CG2 4.34Å; K411-I478 HydrophobicContact CG-CG2 4.35Å; S476-I478 PolarHBondContact O-N 2.87Å; S476-I478 VanDerWaalsContact O-N 3.16Å; S476-I478 PolarHBondContact OG-N 3.24Å; I478-I480 VanDerWaalsContact C-N 3.34Å; I478-T481 PolarHBondContact O-N 3.4Å; I478-E482 WeakPolarHBondContact O-CG 3.21Å; I478-E482 PolarHBondContact O-N 3.16Å |
| 479 | V | 87.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | C396 L415 S476 T481 E482 I483 | C396-V479 HydrophobicContact CB-CG2 4.02Å; L415-V479 HydrophobicContact CD1-CG1 3.86Å; L415-V479 HydrophobicContact CD1-CG2 4.41Å; L415-V479 HydrophobicContact CD2-CG1 4.48Å; L415-V479 HydrophobicContact CD2-CG2 4.21Å; S476-V479 PolarHBondContact O-N 3.44Å; S476-V479 VanDerWaalsContact O-N 3.1Å; V479-T481 PolarHBondContact O-N 3.02Å; V479-E482 PolarHBondContact O-N 2.86Å; V479-I483 HydrophobicContact CG1-CD1 3.87Å; V479-I483 VanDerWaalsContact O-CG1 3.32Å; V479-I483 WeakPolarHBondContact O-CG1 3.04Å; V479-I483 PolarHBondContact O-N 3.37Å |
| 480 | I | 87.1 | Confident | 85.4 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.4 | -48.8 | 177 | -64.3 | 168.5 | 0 | 0 | 0 | 110.6 | L470 P475 S476 I478 E482 I483 C484 L524 S527 L529 | L470-I480 HydrophobicContact CD2-CG1 4.45Å; P475-I480 HydrophobicContact CB-CD1 3.8Å; P475-I480 HydrophobicContact CB-CG1 4.15Å; P475-I480 HydrophobicContact CG-CD1 3.7Å; S476-I480 WeakPolarHBondContact O-CG1 3.47Å; S476-I480 PolarHBondContact O-N 3.08Å; S476-I480 VanDerWaalsContact O-N 3.08Å; I478-I480 VanDerWaalsContact C-N 3.34Å; I480-E482 VanDerWaalsContact C-N 3.33Å; I480-E482 PolarHBondContact O-N 3.27Å; I480-I483 PolarHBondContact O-N 3.31Å; I480-I483 VanDerWaalsContact O-N 3.15Å; I480-C484 PolarHBondContact O-N 3.44Å; I480-C484 PolarHBondContact O-SG 3.31Å; I480-L524 HydrophobicContact CG2-CD2 4.42Å; I480-S527 WeakPolarHBondContact CG2-OG 3.38Å; I480-L529 HydrophobicContact CG2-CD2 4.31Å |
| 481 | T | 85.4 | Confident | 85.4 | Confident | 40 Ų | 40 | 28 Ų | 28 | 25% | 0.245 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.8 | -43 | -179 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | Q477 I478 V479 C484 K485 L571 | Q477-T481 VanDerWaalsContact O-CB 3.3Å; Q477-T481 WeakPolarHBondContact O-CB 3.31Å; Q477-T481 PolarHBondContact O-N 3.37Å; Q477-T481 PolarHBondContact O-OG1 2.7Å; I478-T481 PolarHBondContact O-N 3.4Å; V479-T481 PolarHBondContact O-N 3.02Å; T481-C484 WeakPolarHBondContact O-CB 3.41Å; T481-C484 PolarHBondContact O-N 3.31Å; T481-K485 WeakPolarHBondContact O-CG 3.35Å; T481-K485 PolarHBondContact O-N 2.97Å; T481-L571 HydrophobicContact CG2-CD1 3.77Å |
| 482 | E | 86.4 | Confident | 85.4 | Confident | 18 Ų | 18 | 25.2 Ų | 25.2 | 8% | 0.084 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64 | -41.6 | 175.6 | -71.8 | -63.2 | 146.9 | 0 | 0 | 112.3 | K411 L415 I478 V479 I480 K485 L486 | K411-E482 HydrophobicContact CD-CG 4.02Å; K411-E482 WeakPolarHBondContact CE-OE1 3.33Å; K411-E482 IonicContact NZ-OE1 2.79Å; K411-E482 PolarHBondContact NZ-OE1 2.77Å; L415-E482 HydrophobicContact CD2-CB 4.05Å; L415-E482 HydrophobicContact CD2-CG 4.2Å; I478-E482 WeakPolarHBondContact O-CG 3.21Å; I478-E482 PolarHBondContact O-N 3.16Å; V479-E482 PolarHBondContact O-N 2.86Å; I480-E482 VanDerWaalsContact C-N 3.33Å; I480-E482 PolarHBondContact O-N 3.27Å; E482-K485 PolarHBondContact O-N 3.29Å; E482-L486 WeakPolarHBondContact O-CG 3.41Å; E482-L486 PolarHBondContact O-N 3.41Å |
| 483 | I | 89.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.5 | -38.5 | 176.2 | -62.6 | 167.8 | 0 | 0 | 0 | 110.7 | I466 L469 L470 V479 I480 K485 L486 S487 L524 | I466-I483 HydrophobicContact CG2-CG2 4.23Å; L469-I483 HydrophobicContact CB-CD1 4.45Å; L469-I483 HydrophobicContact CD1-CD1 4.38Å; L470-I483 HydrophobicContact CD2-CD1 4.37Å; V479-I483 HydrophobicContact CG1-CD1 3.87Å; V479-I483 VanDerWaalsContact O-CG1 3.32Å; V479-I483 WeakPolarHBondContact O-CG1 3.04Å; V479-I483 PolarHBondContact O-N 3.37Å; I480-I483 PolarHBondContact O-N 3.31Å; I480-I483 VanDerWaalsContact O-N 3.15Å; I483-K485 PolarHBondContact O-N 2.85Å; I483-L486 CarbonylContact O-C 3.43Å; I483-L486 VanDerWaalsContact O-C 3.31Å; I483-L486 WeakPolarHBondContact O-CA 3.35Å; I483-L486 PolarHBondContact O-N 3.42Å; I483-S487 PolarHBondContact O-N 2.84Å; I483-L524 HydrophobicContact CB-CD2 4.06Å; I483-L524 HydrophobicContact CG2-CD1 3.86Å; I483-L524 HydrophobicContact CG2-CD2 3.7Å; I483-L524 HydrophobicContact CG2-CG 4.39Å |
| 484 | C | 87.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.2 | -46.6 | 173.4 | -72.8 | 0 | 0 | 0 | 0 | 111.4 | I480 T481 L486 S487 L538 L571 | I480-C484 PolarHBondContact O-N 3.44Å; I480-C484 PolarHBondContact O-SG 3.31Å; T481-C484 WeakPolarHBondContact O-CB 3.41Å; T481-C484 PolarHBondContact O-N 3.31Å; C484-L486 PolarHBondContact O-N 3.03Å; C484-L486 VanDerWaalsContact O-N 3.15Å; C484-S487 VanDerWaalsContact O-CB 3.31Å; C484-S487 WeakPolarHBondContact O-CB 3.43Å; C484-S487 PolarHBondContact O-N 3.04Å; C484-S487 VanDerWaalsContact O-N 3.1Å; C484-S487 PolarHBondContact O-OG 2.78Å; C484-L538 HydrophobicContact CB-CD1 4.23Å; C484-L538 HydrophobicContact CB-CD2 3.97Å; C484-L538 WeakPolarHBondContact O-CD1 3.28Å; C484-L571 HydrophobicContact CB-CD1 4.1Å; C484-L571 HydrophobicContact CB-CD2 3.76Å; C484-L571 HydrophobicContact CB-CG 4.2Å |
| 485 | K | 86.7 | Confident | 86.6 | Confident | 55 Ų | 55 | 12.9 Ų | 12.9 | 24% | 0.239 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59 | -26.6 | 175.4 | -71 | 178.6 | -179.6 | -177.8 | 0 | 112.7 | T481 E482 I483 L571 A573 Y574 | T481-K485 WeakPolarHBondContact O-CG 3.35Å; T481-K485 PolarHBondContact O-N 2.97Å; E482-K485 PolarHBondContact O-N 3.29Å; I483-K485 PolarHBondContact O-N 2.85Å; K485-L571 HydrophobicContact CG-CD1 3.91Å; K485-A573 CarbonylContact O-C 3.46Å; K485-A573 WeakPolarHBondContact O-CA 3.45Å; K485-Y574 HydrophobicContact CB-CD2 3.94Å; K485-Y574 HydrophobicContact CB-CE2 3.66Å; K485-Y574 HydrophobicContact CD-CE2 4.18Å; K485-Y574 HydrophobicContact CG-CE2 4.43Å; K485-Y574 VanDerWaalsContact O-CD2 3.29Å; K485-Y574 WeakPolarHBondContact O-CD2 3.48Å; K485-Y574 PolarHBondContact O-N 3.2Å |
| 486 | L | 89.1 | Confident | 86.7 | Confident | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 9.9 | -179.3 | -63.6 | 169.6 | 0 | 0 | 0 | 113.6 | I419 L422 R423 C426 I428 E482 I483 C484 R488 P489 Y574 | I419-L486 HydrophobicContact CD1-CD1 3.67Å; I419-L486 HydrophobicContact CG1-CD1 4.25Å; L422-L486 HydrophobicContact CD2-CB 3.51Å; L422-L486 HydrophobicContact CD2-CD1 4.45Å; L422-L486 WeakPolarHBondContact CD2-O 3.28Å; L422-L486 HydrophobicContact CG-CB 3.85Å; L422-L486 WeakPolarHBondContact CG-O 3.3Å; R423-L486 HydrophobicContact CG-CD1 3.58Å; R423-L486 HydrophobicContact CG-CD2 3.98Å; R423-L486 HydrophobicContact CG-CG 4.46Å; C426-L486 HydrophobicContact CB-CD2 4.06Å; I428-L486 HydrophobicContact CD1-CD2 4.33Å; E482-L486 WeakPolarHBondContact O-CG 3.41Å; E482-L486 PolarHBondContact O-N 3.41Å; I483-L486 CarbonylContact O-C 3.43Å; I483-L486 VanDerWaalsContact O-C 3.31Å; I483-L486 WeakPolarHBondContact O-CA 3.35Å; I483-L486 PolarHBondContact O-N 3.42Å; C484-L486 PolarHBondContact O-N 3.03Å; C484-L486 VanDerWaalsContact O-N 3.15Å; L486-R488 PolarHBondContact O-N 2.84Å; L486-P489 WeakPolarHBondContact O-CD 3.49Å; L486-Y574 HydrophobicContact CD2-CD2 3.88Å; L486-Y574 HydrophobicContact CD2-CE2 4.36Å |
| 487 | S | 89.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | -77.2 | -19.4 | -169.2 | 60.4 | 0 | 0 | 0 | 0 | 114.5 | I483 C484 L490 F491 W542 | I483-S487 PolarHBondContact O-N 2.84Å; C484-S487 VanDerWaalsContact O-CB 3.31Å; C484-S487 WeakPolarHBondContact O-CB 3.43Å; C484-S487 PolarHBondContact O-N 3.04Å; C484-S487 VanDerWaalsContact O-N 3.1Å; C484-S487 PolarHBondContact O-OG 2.78Å; S487-L490 WeakPolarHBondContact O-CA 3.47Å; S487-L490 VanDerWaalsContact O-CB 3.28Å; S487-L490 WeakPolarHBondContact O-CB 3.36Å; S487-L490 PolarHBondContact O-N 2.66Å; S487-F491 PolarHBondContact O-N 3.1Å; S487-F491 VanDerWaalsContact O-N 3.15Å; S487-W542 PolarHBondContact OG-NE1 2.8Å | ||
| 488 | R | 88.7 | Confident | 86.7 | Confident | 6 Ų | 6 | 10 Ų | 10 | 2% | 0.023 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.9 | -44.6 | -173.7 | -177.7 | 178.3 | -178.1 | 166.4 | -2.9 | 114.6 | L486 L490 F491 I492 S541 W542 N544 A573 N626 | L486-R488 PolarHBondContact O-N 2.84Å; R488-L490 PolarHBondContact O-N 2.62Å; R488-F491 WeakPolarHBondContact O-CB 3.46Å; R488-F491 PolarHBondContact O-N 2.94Å; R488-F491 VanDerWaalsContact O-N 3.08Å; R488-I492 HydrophobicContact CG-CD1 3.89Å; R488-I492 HydrophobicContact CG-CG1 4.47Å; R488-I492 WeakPolarHBondContact O-CG1 3.38Å; R488-I492 PolarHBondContact O-N 2.93Å; R488-S541 PolarHBondContact NH1-O 3.18Å; R488-W542 PolarHBondContact NE-O 2.87Å; R488-N544 PolarHBondContact NH1-OD1 3.13Å; R488-N544 PolarHBondContact NH2-ND2 3.38Å; R488-N544 PolarHBondContact NH2-OD1 2.98Å; R488-A573 HydrophobicContact CB-CB 3.86Å; R488-N626 PolarHBondContact NH2-OD1 3.35Å; R488-N626 VanDerWaalsContact NH2-OD1 3.13Å |
| 489 | P | 88 | Confident | 86.5 | Confident | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.006 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -54.2 | -34 | 171.7 | -25.4 | 30.8 | 0 | 0 | 0 | 113.7 | L422 F425 L486 I492 L493 | L422-P489 HydrophobicContact CD1-CB 3.96Å; L422-P489 HydrophobicContact CD1-CG 4.17Å; F425-P489 HydrophobicContact CB-CB 4.03Å; F425-P489 HydrophobicContact CB-CG 3.73Å; F425-P489 HydrophobicContact CD2-CB 3.94Å; F425-P489 HydrophobicContact CD2-CG 4.44Å; F425-P489 HydrophobicContact CG-CB 4.47Å; L486-P489 WeakPolarHBondContact O-CD 3.49Å; P489-I492 PolarHBondContact O-N 3.04Å; P489-L493 WeakPolarHBondContact O-CB 3.45Å; P489-L493 PolarHBondContact O-N 3.47Å |
| 490 | L | 90.5 | Very high | 86 | Confident | 4 Ų | 4 | 12.5 Ų | 12.5 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -70.6 | -38.2 | 177.6 | -54.3 | 175.8 | 0 | 0 | 0 | 111.4 | L422 L462 L463 I466 S487 R488 L493 L494 L517 I520 L521 | L422-L490 HydrophobicContact CD1-CD2 3.85Å; L422-L490 HydrophobicContact CD1-CG 3.96Å; L422-L490 HydrophobicContact CD2-CD1 4.41Å; L462-L490 HydrophobicContact CD2-CD2 4.45Å; L463-L490 HydrophobicContact CD2-CD2 3.72Å; I466-L490 HydrophobicContact CD1-CD1 4.23Å; I466-L490 HydrophobicContact CD1-CD2 4.45Å; S487-L490 WeakPolarHBondContact O-CA 3.47Å; S487-L490 VanDerWaalsContact O-CB 3.28Å; S487-L490 WeakPolarHBondContact O-CB 3.36Å; S487-L490 PolarHBondContact O-N 2.66Å; R488-L490 PolarHBondContact O-N 2.62Å; L490-L493 PolarHBondContact O-N 2.91Å; L490-L494 PolarHBondContact O-N 2.89Å; L490-L517 HydrophobicContact CB-CD2 4.28Å; L490-L517 HydrophobicContact CD2-CD2 4.39Å; L490-I520 HydrophobicContact CD1-CG2 4.04Å; L490-L521 HydrophobicContact CB-CD2 4.18Å |
| 491 | F | 88.8 | Confident | 85.4 | Confident | 3 Ų | 3 | 14.7 Ų | 14.7 | 1% | 0.013 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.7 | -42.4 | 173.6 | 177.8 | -97.6 | 0 | 0 | 0 | 112 | S487 R488 L493 L494 A495 L521 W542 F543 S634 L638 L641 | S487-F491 PolarHBondContact O-N 3.1Å; S487-F491 VanDerWaalsContact O-N 3.15Å; R488-F491 WeakPolarHBondContact O-CB 3.46Å; R488-F491 PolarHBondContact O-N 2.94Å; R488-F491 VanDerWaalsContact O-N 3.08Å; F491-L493 VanDerWaalsContact C-N 3.35Å; F491-L494 WeakPolarHBondContact O-CB 3.41Å; F491-L494 PolarHBondContact O-N 3.15Å; F491-A495 PolarHBondContact O-N 2.95Å; F491-L521 HydrophobicContact CB-CD1 4.3Å; F491-L521 HydrophobicContact CD2-CD1 4.39Å; F491-W542 HydrophobicContact CB-CB 4.47Å; F491-W542 HydrophobicContact CB-CD2 4.08Å; F491-W542 HydrophobicContact CB-CG 4.07Å; F491-W542 HydrophobicContact CD1-CB 3.73Å; F491-W542 HydrophobicContact CD1-CG 4.22Å; F491-W542 HydrophobicContact CD2-CB 4.49Å; F491-W542 AromaticContact CD2-CD2 3.94Å; F491-W542 HydrophobicContact CD2-CD2 3.94Å; F491-W542 AromaticContact CD2-CE3 3.54Å; F491-W542 HydrophobicContact CD2-CE3 3.54Å; F491-W542 HydrophobicContact CD2-CG 4.38Å; F491-W542 HydrophobicContact CD2-CZ3 4.03Å; F491-W542 HydrophobicContact CE1-CB 4.05Å; F491-W542 AromaticContact CE2-CE3 3.89Å; F491-W542 HydrophobicContact CE2-CE3 3.89Å; F491-W542 HydrophobicContact CE2-CZ3 4.43Å; F491-W542 HydrophobicContact CG-CB 3.97Å; F491-W542 AromaticContact CG-CD2 3.95Å; F491-W542 HydrophobicContact CG-CD2 3.95Å; F491-W542 HydrophobicContact CG-CE3 4.04Å; F491-W542 AromaticContact CG-CG 3.95Å; F491-W542 HydrophobicContact CG-CG 3.95Å; F491-F543 HydrophobicContact CE1-CE2 4.13Å; F491-F543 HydrophobicContact CE1-CZ 4.15Å; F491-F543 HydrophobicContact CE2-CE2 4.47Å; F491-F543 HydrophobicContact CZ-CE1 4.48Å; F491-F543 AromaticContact CZ-CE2 3.65Å; F491-F543 HydrophobicContact CZ-CE2 3.65Å; F491-F543 AromaticContact CZ-CZ 3.63Å; F491-F543 HydrophobicContact CZ-CZ 3.63Å; F491-S634 WeakPolarHBondContact CZ-O 3.32Å; F491-L638 HydrophobicContact CE2-CB 4.45Å; F491-L638 HydrophobicContact CZ-CB 4.47Å; F491-L641 HydrophobicContact CD2-CD1 3.94Å; F491-L641 HydrophobicContact CE2-CD1 4.03Å |
| 492 | I | 85.3 | Confident | 84.5 | Confident | 20 Ų | 20 | 18 Ų | 18 | 10% | 0.103 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.8 | -41.6 | 176.2 | -65.9 | 155.9 | 0 | 0 | 0 | 110.8 | R488 P489 L494 A495 Q496 C576 F582 V625 | R488-I492 HydrophobicContact CG-CD1 3.89Å; R488-I492 HydrophobicContact CG-CG1 4.47Å; R488-I492 WeakPolarHBondContact O-CG1 3.38Å; R488-I492 PolarHBondContact O-N 2.93Å; P489-I492 PolarHBondContact O-N 3.04Å; I492-L494 VanDerWaalsContact C-N 3.28Å; I492-L494 PolarHBondContact O-N 3.32Å; I492-A495 PolarHBondContact O-N 2.87Å; I492-Q496 WeakPolarHBondContact O-CB 3.4Å; I492-Q496 PolarHBondContact O-N 3.3Å; I492-C576 HydrophobicContact CD1-CB 4.21Å; I492-C576 WeakPolarHBondContact CD1-SG 3.49Å; I492-F582 HydrophobicContact CB-CE2 4.48Å; I492-F582 HydrophobicContact CG2-CD2 4.41Å; I492-F582 HydrophobicContact CG2-CE2 4.17Å; I492-V625 HydrophobicContact CD1-CG1 3.31Å; I492-V625 HydrophobicContact CG1-CG1 3.93Å; I492-V625 HydrophobicContact CG2-CG1 4.5Å |
| 493 | L | 86.5 | Confident | 83.3 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.9 | -41.1 | 174.4 | -177.7 | 62.2 | 0 | 0 | 0 | 110.9 | P489 L490 F491 Q496 T497 L517 F582 Y613 | P489-L493 WeakPolarHBondContact O-CB 3.45Å; P489-L493 PolarHBondContact O-N 3.47Å; L490-L493 PolarHBondContact O-N 2.91Å; F491-L493 VanDerWaalsContact C-N 3.35Å; L493-Q496 PolarHBondContact O-N 3.4Å; L493-T497 HydrophobicContact CD1-CG2 4.44Å; L493-T497 HydrophobicContact CG-CG2 4.49Å; L493-T497 WeakPolarHBondContact O-CG2 3.32Å; L493-T497 PolarHBondContact O-N 3.37Å; L493-T497 PolarHBondContact O-OG1 2.93Å; L493-L517 HydrophobicContact CB-CD1 4.3Å; L493-L517 HydrophobicContact CD2-CD1 4Å; L493-L517 HydrophobicContact CD2-CD2 4.19Å; L493-L517 HydrophobicContact CG-CD1 3.81Å; L493-F582 HydrophobicContact CB-CD2 4.13Å; L493-F582 HydrophobicContact CB-CE2 3.81Å; L493-F582 HydrophobicContact CB-CZ 4.03Å; L493-F582 HydrophobicContact CD1-CB 3.96Å; L493-F582 HydrophobicContact CD1-CD1 3.78Å; L493-F582 HydrophobicContact CD1-CD2 3.89Å; L493-F582 HydrophobicContact CD1-CE1 4.21Å; L493-F582 HydrophobicContact CD1-CE2 4.31Å; L493-F582 HydrophobicContact CD1-CG 3.61Å; L493-F582 HydrophobicContact CD1-CZ 4.45Å; L493-Y613 HydrophobicContact CD1-CD2 3.98Å; L493-Y613 HydrophobicContact CD1-CE2 4.45Å; L493-Y613 HydrophobicContact CD1-CG 4.1Å |
| 494 | L | 86.7 | Confident | 82 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.5 | -48 | 174.4 | 178.6 | 64.8 | 0 | 0 | 0 | 111.5 | L490 F491 I492 Q496 T497 I498 K514 L517 I518 L521 L641 | L490-L494 PolarHBondContact O-N 2.89Å; F491-L494 WeakPolarHBondContact O-CB 3.41Å; F491-L494 PolarHBondContact O-N 3.15Å; I492-L494 VanDerWaalsContact C-N 3.28Å; I492-L494 PolarHBondContact O-N 3.32Å; L494-Q496 VanDerWaalsContact C-N 3.29Å; L494-Q496 PolarHBondContact O-N 3.4Å; L494-T497 WeakPolarHBondContact CA-OG1 3.28Å; L494-T497 PolarHBondContact O-N 2.55Å; L494-T497 VanDerWaalsContact O-N 3.16Å; L494-T497 PolarHBondContact O-OG1 3.3Å; L494-I498 HydrophobicContact CD1-CD1 4.38Å; L494-I498 HydrophobicContact CD1-CG1 4.46Å; L494-I498 HydrophobicContact CG-CD1 4.45Å; L494-I498 WeakPolarHBondContact O-CG1 3.45Å; L494-I498 PolarHBondContact O-N 3.12Å; L494-I498 VanDerWaalsContact O-N 3.07Å; L494-K514 HydrophobicContact CD1-CG 4.03Å; L494-L517 HydrophobicContact CB-CB 4.27Å; L494-L517 HydrophobicContact CB-CD1 4.21Å; L494-L517 HydrophobicContact CD1-CB 4.06Å; L494-I518 HydrophobicContact CD1-CG1 3.98Å; L494-I518 HydrophobicContact CD2-CG1 4.17Å; L494-L521 HydrophobicContact CB-CD1 4.43Å; L494-L521 HydrophobicContact CD2-CD1 3.9Å; L494-L641 HydrophobicContact CD2-CD1 3.99Å; L494-L641 HydrophobicContact CD2-CD2 4.1Å; L494-L641 HydrophobicContact CD2-CG 4.02Å |
| 495 | A | 84.4 | Confident | 80.5 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.033 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.3 | -46.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F491 I492 T497 I498 E499 S633 S637 | F491-A495 PolarHBondContact O-N 2.95Å; I492-A495 PolarHBondContact O-N 2.87Å; A495-T497 PolarHBondContact O-N 3.45Å; A495-I498 PolarHBondContact O-N 3.03Å; A495-E499 PolarHBondContact O-N 2.95Å; A495-E499 VanDerWaalsContact O-N 3.14Å; A495-S633 WeakPolarHBondContact O-CB 3.46Å; A495-S637 WeakPolarHBondContact CA-OG 3.39Å; A495-S637 PolarHBondContact N-OG 3.27Å |
| 496 | Q | 83.6 | Confident | 79.1 | Confident | 31 Ų | 31 | 35.2 Ų | 35.2 | 15% | 0.145 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.6 | -36.8 | 178.9 | -170.9 | 163.8 | 2.3 | 0 | 0 | 112.7 | I492 L493 L494 I498 E499 D500 F582 Y613 | I492-Q496 WeakPolarHBondContact O-CB 3.4Å; I492-Q496 PolarHBondContact O-N 3.3Å; L493-Q496 PolarHBondContact O-N 3.4Å; L494-Q496 VanDerWaalsContact C-N 3.29Å; L494-Q496 PolarHBondContact O-N 3.4Å; Q496-I498 VanDerWaalsContact C-N 3.32Å; Q496-I498 PolarHBondContact O-N 3.46Å; Q496-E499 PolarHBondContact O-N 2.8Å; Q496-D500 PolarHBondContact O-N 3.45Å; Q496-F582 PolarHBondContact NE2-O 2.97Å; Q496-F582 PolarHBondContact OE1-O 3.02Å; Q496-Y613 HydrophobicContact CG-CE1 4.16Å |
| 497 | T | 83.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -38.7 | 175.4 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | L493 L494 A495 E499 E501 L513 L517 Y613 | L493-T497 HydrophobicContact CD1-CG2 4.44Å; L493-T497 HydrophobicContact CG-CG2 4.49Å; L493-T497 WeakPolarHBondContact O-CG2 3.32Å; L493-T497 PolarHBondContact O-N 3.37Å; L493-T497 PolarHBondContact O-OG1 2.93Å; L494-T497 WeakPolarHBondContact CA-OG1 3.28Å; L494-T497 PolarHBondContact O-N 2.55Å; L494-T497 VanDerWaalsContact O-N 3.16Å; L494-T497 PolarHBondContact O-OG1 3.3Å; A495-T497 PolarHBondContact O-N 3.45Å; T497-E499 VanDerWaalsContact C-N 3.34Å; T497-E501 VanDerWaalsContact O-CB 3.25Å; T497-E501 WeakPolarHBondContact O-CB 3.46Å; T497-E501 PolarHBondContact O-N 3.43Å; T497-L513 HydrophobicContact CG2-CD2 3.39Å; T497-L513 HydrophobicContact CG2-CG 3.98Å; T497-L517 HydrophobicContact CG2-CD1 4.36Å; T497-Y613 WeakPolarHBondContact CA-OH 3.39Å; T497-Y613 HydrophobicContact CG2-CD2 4.4Å; T497-Y613 HydrophobicContact CG2-CE2 3.56Å |
| 498 | I | 82 | Confident | 76.5 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69 | -35.7 | 177.8 | -65.8 | -175.2 | 0 | 0 | 0 | 111 | L494 A495 Q496 K514 K636 S637 | L494-I498 HydrophobicContact CD1-CD1 4.38Å; L494-I498 HydrophobicContact CD1-CG1 4.46Å; L494-I498 HydrophobicContact CG-CD1 4.45Å; L494-I498 WeakPolarHBondContact O-CG1 3.45Å; L494-I498 PolarHBondContact O-N 3.12Å; L494-I498 VanDerWaalsContact O-N 3.07Å; A495-I498 PolarHBondContact O-N 3.03Å; Q496-I498 VanDerWaalsContact C-N 3.32Å; Q496-I498 PolarHBondContact O-N 3.46Å; I498-K514 HydrophobicContact CG1-CD 4.35Å; I498-K636 HydrophobicContact CG2-CD 3.61Å; I498-K636 HydrophobicContact CG2-CG 4.04Å; I498-S637 WeakPolarHBondContact CD1-OG 3.25Å |
| 499 | E | 80 | Confident | 75.3 | Confident | 64 Ų | 64 | 46.4 Ų | 46.4 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.2 | -42.3 | 179.1 | -169.6 | 177.8 | 156.8 | 0 | 0 | 113 | A495 Q496 T497 N503 N630 S633 | A495-E499 PolarHBondContact O-N 2.95Å; A495-E499 VanDerWaalsContact O-N 3.14Å; Q496-E499 PolarHBondContact O-N 2.8Å; T497-E499 VanDerWaalsContact C-N 3.34Å; E499-N503 PolarHBondContact O-ND2 3.04Å; E499-N630 PolarHBondContact OE2-OD1 2.83Å; E499-S633 PolarHBondContact OE2-OG 3.29Å; E499-S633 VanDerWaalsContact OE2-OG 3.1Å |
| 500 | D | 76.6 | Confident | 74.5 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74.2 | -28.3 | 178 | -73 | -43.7 | 0 | 0 | 0 | 112 | Q496 D502 N503 V504 F510 L584 K587 Y613 | Q496-D500 PolarHBondContact O-N 3.45Å; D500-D502 VanDerWaalsContact C-N 3.27Å; D500-D502 PolarHBondContact O-N 2.66Å; D500-N503 PolarHBondContact O-N 3.19Å; D500-V504 WeakPolarHBondContact O-CG2 3.36Å; D500-V504 PolarHBondContact O-N 3.27Å; D500-V504 VanDerWaalsContact O-N 3.14Å; D500-F510 HydrophobicContact CB-CE1 4.22Å; D500-F510 HydrophobicContact CB-CZ 4.49Å; D500-L584 HydrophobicContact CB-CD2 4.49Å; D500-K587 IonicContact OD1-NZ 3.33Å; D500-Y613 WeakPolarHBondContact CB-OH 3.4Å; D500-Y613 VanDerWaalsContact OD2-CE1 3.3Å; D500-Y613 WeakPolarHBondContact OD2-CE1 3.28Å; D500-Y613 PolarHBondContact OD2-OH 3.35Å |
| 501 | E | 74.6 | Confident | 73.8 | Confident | 49 Ų | 49 | 48.8 Ų | 48.8 | 23% | 0.229 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -37.8 | 174.4 | -174.5 | -179.1 | -167.8 | 0 | 0 | 111.6 | T497 N503 F510 K514 | T497-E501 VanDerWaalsContact O-CB 3.25Å; T497-E501 WeakPolarHBondContact O-CB 3.46Å; T497-E501 PolarHBondContact O-N 3.43Å; E501-N503 PolarHBondContact O-N 2.83Å; E501-F510 HydrophobicContact CG-CB 4.49Å; E501-K514 IonicContact OE1-NZ 2.85Å; E501-K514 WeakPolarHBondContact OE2-CD 3.11Å; E501-K514 IonicContact OE2-NZ 3.4Å; E501-K514 PolarHBondContact OE2-NZ 3.31Å |
| 502 | D | 65.8 | Low | 73.4 | Confident | 108 Ų | 108 | 50.7 Ų | 50.7 | 58% | 0.578 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -12.4 | 177.2 | -68.9 | -28.4 | 0 | 0 | 0 | 112.2 | D500 K636 | D500-D502 VanDerWaalsContact C-N 3.27Å; D500-D502 PolarHBondContact O-N 2.66Å; D502-K636 IonicContact OD1-NZ 2.74Å; D502-K636 PolarHBondContact OD1-NZ 3.06Å; D502-K636 IonicContact OD2-NZ 2.63Å; D502-K636 PolarHBondContact OD2-NZ 2.88Å |
| 503 | N | 62.8 | Low | 73.3 | Confident | 118 Ų | 118 | 49.7 Ų | 49.7 | 63% | 0.631 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | -12.8 | -172.7 | -70.6 | -57.7 | 0 | 0 | 0 | 115.4 | E499 D500 E501 | E499-N503 PolarHBondContact O-ND2 3.04Å; D500-N503 PolarHBondContact O-N 3.19Å; E501-N503 PolarHBondContact O-N 2.83Å |
| 504 | V | 60.8 | Low | 73.3 | Confident | 37 Ų | 37 | 51.6 Ų | 51.6 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | trans | -128.5 | 132.9 | -169.3 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | D500 D506 F510 L584 | D500-V504 WeakPolarHBondContact O-CG2 3.36Å; D500-V504 PolarHBondContact O-N 3.27Å; D500-V504 VanDerWaalsContact O-N 3.14Å; V504-D506 HydrophobicContact CG1-CB 4.37Å; V504-D506 PolarHBondContact O-N 3.13Å; V504-D506 VanDerWaalsContact O-N 3.15Å; V504-F510 HydrophobicContact CB-CE2 4.09Å; V504-F510 HydrophobicContact CB-CZ 4.48Å; V504-F510 HydrophobicContact CG1-CE2 4.04Å; V504-L584 HydrophobicContact CG2-CD2 3.92Å | ||
| 505 | N | 55.7 | Low | 73.3 | Confident | 166 Ų | 166 | 58.1 Ų | 58.1 | 89% | 0.888 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -69.6 | -6.3 | -175.7 | -73.8 | -22.4 | 0 | 0 | 0 | 115.6 | S507 | N505-S507 VanDerWaalsContact C-N 3.33Å; N505-S507 PolarHBondContact O-N 3.34Å; N505-S507 VanDerWaalsContact O-N 3.11Å |
| 506 | D | 57.2 | Low | 73.4 | Confident | 115 Ų | 115 | 58.3 Ų | 58.3 | 62% | 0.615 | 31% | 0.31 | S | S | * | . | trans | -88.9 | 59 | -175.1 | -79.2 | -22 | 0 | 0 | 0 | 113.4 | V504 E508 S509 F510 | V504-D506 HydrophobicContact CG1-CB 4.37Å; V504-D506 PolarHBondContact O-N 3.13Å; V504-D506 VanDerWaalsContact O-N 3.15Å; D506-E508 PolarHBondContact O-N 3.11Å; D506-S509 PolarHBondContact O-N 3.44Å; D506-S509 PolarHBondContact O-OG 3.37Å; D506-F510 VanDerWaalsContact O-CD2 3.29Å; D506-F510 WeakPolarHBondContact O-CD2 3.39Å | ||
| 507 | S | 61.8 | Low | 73.7 | Confident | 73 Ų | 73 | 56.8 Ų | 56.8 | 51% | 0.51 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -53 | -41.2 | -173.6 | 55.5 | 0 | 0 | 0 | 0 | 115.6 | N505 S509 T511 | N505-S507 VanDerWaalsContact C-N 3.33Å; N505-S507 PolarHBondContact O-N 3.34Å; N505-S507 VanDerWaalsContact O-N 3.11Å; S507-S509 VanDerWaalsContact C-N 3.29Å; S507-S509 PolarHBondContact O-N 3.14Å; S507-T511 VanDerWaalsContact O-CG2 3.23Å; S507-T511 WeakPolarHBondContact O-CG2 3.38Å; S507-T511 PolarHBondContact O-N 3.05Å; S507-T511 VanDerWaalsContact O-N 3.16Å; S507-T511 PolarHBondContact O-OG1 3.22Å |
| 508 | E | 63.4 | Low | 73.9 | Confident | 143 Ų | 143 | 57.3 Ų | 57.3 | 67% | 0.668 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.5 | -27.9 | -174.5 | -70.6 | -172.5 | 165.6 | 0 | 0 | 114.5 | D506 T511 | D506-E508 PolarHBondContact O-N 3.11Å; E508-T511 WeakPolarHBondContact CA-OG1 3.36Å; E508-T511 PolarHBondContact O-OG1 3.3Å |
| 509 | S | 64 | Low | 74.2 | Confident | 26 Ų | 26 | 61.2 Ų | 61.2 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -78.8 | -44.1 | -175.8 | 69.5 | 0 | 0 | 0 | 0 | 111.2 | D506 S507 S512 | D506-S509 PolarHBondContact O-N 3.44Å; D506-S509 PolarHBondContact O-OG 3.37Å; S507-S509 VanDerWaalsContact C-N 3.29Å; S507-S509 PolarHBondContact O-N 3.14Å; S509-S512 PolarHBondContact O-OG 3.04Å |
| 510 | F | 70.6 | Confident | 74.6 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 2% | 0.022 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.7 | -36.3 | 177.1 | -67.7 | -78.5 | 0 | 0 | 0 | 112.5 | D500 E501 V504 D506 S512 L513 K514 L584 P612 Y613 | D500-F510 HydrophobicContact CB-CE1 4.22Å; D500-F510 HydrophobicContact CB-CZ 4.49Å; E501-F510 HydrophobicContact CG-CB 4.49Å; V504-F510 HydrophobicContact CB-CE2 4.09Å; V504-F510 HydrophobicContact CB-CZ 4.48Å; V504-F510 HydrophobicContact CG1-CE2 4.04Å; D506-F510 VanDerWaalsContact O-CD2 3.29Å; D506-F510 WeakPolarHBondContact O-CD2 3.39Å; F510-S512 VanDerWaalsContact C-N 3.34Å; F510-S512 PolarHBondContact O-N 3.21Å; F510-L513 PolarHBondContact O-N 3.2Å; F510-K514 WeakPolarHBondContact O-CB 3.39Å; F510-K514 PolarHBondContact O-N 3.38Å; F510-L584 HydrophobicContact CE1-CD1 3.61Å; F510-L584 HydrophobicContact CZ-CD1 3.46Å; F510-L584 VanDerWaalsContact CZ-CD1 3.46Å; F510-L584 HydrophobicContact CZ-CD2 4.12Å; F510-L584 HydrophobicContact CZ-CG 4.44Å; F510-P612 HydrophobicContact CD1-CG 4.07Å; F510-P612 HydrophobicContact CE1-CG 3.67Å; F510-P612 HydrophobicContact CZ-CG 4.11Å; F510-Y613 HydrophobicContact CD1-CE2 4.39Å; F510-Y613 HydrophobicContact CE1-CE2 4Å; F510-Y613 AromaticContact CE1-CZ 3.98Å; F510-Y613 WeakPolarHBondContact CE1-OH 3.25Å |
| 511 | T | 75.8 | Confident | 75.3 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 30% | 0.301 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 178 | 51.9 | 0 | 0 | 0 | 0 | 111.6 | S507 E508 L513 K514 E515 | S507-T511 VanDerWaalsContact O-CG2 3.23Å; S507-T511 WeakPolarHBondContact O-CG2 3.38Å; S507-T511 PolarHBondContact O-N 3.05Å; S507-T511 VanDerWaalsContact O-N 3.16Å; S507-T511 PolarHBondContact O-OG1 3.22Å; E508-T511 WeakPolarHBondContact CA-OG1 3.36Å; E508-T511 PolarHBondContact O-OG1 3.3Å; T511-L513 PolarHBondContact O-N 2.94Å; T511-K514 PolarHBondContact O-N 2.73Å; T511-E515 WeakPolarHBondContact O-CB 3.34Å; T511-E515 WeakPolarHBondContact O-CG 3.44Å; T511-E515 PolarHBondContact O-N 2.6Å |
| 512 | S | 79.9 | Confident | 75.8 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 30% | 0.301 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 178.6 | 75.4 | 0 | 0 | 0 | 0 | 113.4 | S509 F510 C516 | S509-S512 PolarHBondContact O-OG 3.04Å; F510-S512 VanDerWaalsContact C-N 3.34Å; F510-S512 PolarHBondContact O-N 3.21Å; S512-C516 WeakPolarHBondContact O-CB 3.39Å; S512-C516 PolarHBondContact O-N 3.16Å; S512-C516 VanDerWaalsContact O-N 3.15Å |
| 513 | L | 84.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.4 | -45.7 | 177 | 178.6 | 59.4 | 0 | 0 | 0 | 111.2 | L463 T497 F510 T511 C516 L517 V609 V611 Y613 | L463-L513 HydrophobicContact CD1-CD1 3.44Å; L463-L513 VanDerWaalsContact CD1-CD1 3.44Å; T497-L513 HydrophobicContact CG2-CD2 3.39Å; T497-L513 HydrophobicContact CG2-CG 3.98Å; F510-L513 PolarHBondContact O-N 3.2Å; T511-L513 PolarHBondContact O-N 2.94Å; L513-C516 WeakPolarHBondContact O-CB 3.23Å; L513-C516 PolarHBondContact O-N 3.11Å; L513-L517 HydrophobicContact CD1-CD1 4Å; L513-L517 HydrophobicContact CD1-CG 4.23Å; L513-L517 HydrophobicContact CG-CD1 3.92Å; L513-L517 WeakPolarHBondContact O-CG 3.44Å; L513-L517 PolarHBondContact O-N 3.21Å; L513-V609 HydrophobicContact CD1-CG1 4.05Å; L513-V611 HydrophobicContact CD1-CG1 4.49Å; L513-V611 HydrophobicContact CD1-CG2 3.82Å; L513-V611 HydrophobicContact CD2-CG1 4.26Å; L513-Y613 HydrophobicContact CD2-CD2 3.84Å; L513-Y613 HydrophobicContact CD2-CE2 3.86Å |
| 514 | K | 86.1 | Confident | 77.7 | Confident | 43 Ų | 43 | 50.3 Ų | 50.3 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 178.9 | 179.3 | 178.9 | 180 | 177.2 | 0 | 111.4 | L494 I498 E501 F510 T511 C516 L517 I518 | L494-K514 HydrophobicContact CD1-CG 4.03Å; I498-K514 HydrophobicContact CG1-CD 4.35Å; E501-K514 IonicContact OE1-NZ 2.85Å; E501-K514 WeakPolarHBondContact OE2-CD 3.11Å; E501-K514 IonicContact OE2-NZ 3.4Å; E501-K514 PolarHBondContact OE2-NZ 3.31Å; F510-K514 WeakPolarHBondContact O-CB 3.39Å; F510-K514 PolarHBondContact O-N 3.38Å; T511-K514 PolarHBondContact O-N 2.73Å; K514-C516 VanDerWaalsContact C-N 3.31Å; K514-C516 PolarHBondContact O-N 3.14Å; K514-L517 PolarHBondContact O-N 3.2Å; K514-I518 HydrophobicContact CG-CD1 3.73Å; K514-I518 HydrophobicContact CG-CG1 4.47Å; K514-I518 WeakPolarHBondContact O-CB 3.44Å; K514-I518 WeakPolarHBondContact O-CG1 3.13Å; K514-I518 PolarHBondContact O-N 3.5Å |
| 515 | E | 85.5 | Confident | 78.6 | Confident | 137 Ų | 137 | 48.6 Ų | 48.6 | 64% | 0.64 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.6 | -42.1 | 175.5 | -75.4 | 178.7 | -179 | 0 | 0 | 111.8 | T511 W519 | T511-E515 WeakPolarHBondContact O-CB 3.34Å; T511-E515 WeakPolarHBondContact O-CG 3.44Å; T511-E515 PolarHBondContact O-N 2.6Å; E515-W519 VanDerWaalsContact O-CB 3.23Å; E515-W519 WeakPolarHBondContact O-CB 3.35Å; E515-W519 PolarHBondContact O-N 3.17Å |
| 516 | C | 87.2 | Confident | 79.5 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -47.3 | 176.7 | -173.4 | 0 | 0 | 0 | 0 | 112 | S512 L513 K514 W519 I520 V609 | S512-C516 WeakPolarHBondContact O-CB 3.39Å; S512-C516 PolarHBondContact O-N 3.16Å; S512-C516 VanDerWaalsContact O-N 3.15Å; L513-C516 WeakPolarHBondContact O-CB 3.23Å; L513-C516 PolarHBondContact O-N 3.11Å; K514-C516 VanDerWaalsContact C-N 3.31Å; K514-C516 PolarHBondContact O-N 3.14Å; C516-W519 PolarHBondContact O-N 2.94Å; C516-I520 VanDerWaalsContact O-CG1 3.3Å; C516-I520 WeakPolarHBondContact O-CG1 3.42Å; C516-I520 PolarHBondContact O-N 3.44Å; C516-V609 HydrophobicContact CB-CG1 4.01Å; C516-V609 HydrophobicContact CB-CG2 4.05Å |
| 517 | L | 89.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.7 | -42.2 | 179.6 | -71.6 | 169.2 | 0 | 0 | 0 | 112.2 | L463 L490 L493 L494 T497 L513 K514 W519 I520 L521 | L463-L517 HydrophobicContact CD1-CD2 4.29Å; L463-L517 HydrophobicContact CD2-CD2 3.69Å; L490-L517 HydrophobicContact CB-CD2 4.28Å; L490-L517 HydrophobicContact CD2-CD2 4.39Å; L493-L517 HydrophobicContact CB-CD1 4.3Å; L493-L517 HydrophobicContact CD2-CD1 4Å; L493-L517 HydrophobicContact CD2-CD2 4.19Å; L493-L517 HydrophobicContact CG-CD1 3.81Å; L494-L517 HydrophobicContact CB-CB 4.27Å; L494-L517 HydrophobicContact CB-CD1 4.21Å; L494-L517 HydrophobicContact CD1-CB 4.06Å; T497-L517 HydrophobicContact CG2-CD1 4.36Å; L513-L517 HydrophobicContact CD1-CD1 4Å; L513-L517 HydrophobicContact CD1-CG 4.23Å; L513-L517 HydrophobicContact CG-CD1 3.92Å; L513-L517 WeakPolarHBondContact O-CG 3.44Å; L513-L517 PolarHBondContact O-N 3.21Å; K514-L517 PolarHBondContact O-N 3.2Å; L517-W519 VanDerWaalsContact C-N 3.31Å; L517-W519 PolarHBondContact O-N 2.85Å; L517-I520 PolarHBondContact O-N 2.89Å; L517-L521 WeakPolarHBondContact O-CB 3.03Å; L517-L521 WeakPolarHBondContact O-CG 3.35Å; L517-L521 PolarHBondContact O-N 3.23Å |
| 518 | I | 87.2 | Confident | 79.7 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 6% | 0.056 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 173.5 | -71.7 | 168.8 | 0 | 0 | 0 | 109.6 | L494 K514 I520 L521 T522 T640 L641 F644 | L494-I518 HydrophobicContact CD1-CG1 3.98Å; L494-I518 HydrophobicContact CD2-CG1 4.17Å; K514-I518 HydrophobicContact CG-CD1 3.73Å; K514-I518 HydrophobicContact CG-CG1 4.47Å; K514-I518 WeakPolarHBondContact O-CB 3.44Å; K514-I518 WeakPolarHBondContact O-CG1 3.13Å; K514-I518 PolarHBondContact O-N 3.5Å; I518-I520 PolarHBondContact O-N 3.16Å; I518-L521 PolarHBondContact O-N 3.33Å; I518-T522 WeakPolarHBondContact O-CB 3.31Å; I518-T522 PolarHBondContact O-N 3.22Å; I518-T522 PolarHBondContact O-OG1 3.33Å; I518-T640 HydrophobicContact CD1-CG2 3.71Å; I518-T640 HydrophobicContact CG1-CG2 4.47Å; I518-L641 HydrophobicContact CB-CD2 4.38Å; I518-L641 HydrophobicContact CG1-CD2 4.32Å; I518-L641 HydrophobicContact CG2-CD2 4.31Å; I518-F644 HydrophobicContact CD1-CD2 4.35Å; I518-F644 HydrophobicContact CD1-CE2 4.02Å; I518-F644 HydrophobicContact CG2-CB 4.05Å; I518-F644 HydrophobicContact CG2-CD1 4.25Å; I518-F644 HydrophobicContact CG2-CD2 3.51Å; I518-F644 HydrophobicContact CG2-CE2 3.98Å; I518-F644 HydrophobicContact CG2-CG 3.67Å |
| 519 | W | 89.2 | Confident | 79.5 | Confident | 83 Ų | 83 | 33.8 Ų | 33.8 | 31% | 0.314 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.2 | -47.9 | 178.7 | -175.7 | 93.4 | 0 | 0 | 0 | 111.5 | K467 L470 D471 E515 C516 L517 R523 | K467-W519 HydrophobicContact CB-CZ3 4.26Å; K467-W519 HydrophobicContact CG-CE3 3.98Å; K467-W519 HydrophobicContact CG-CH2 4.26Å; K467-W519 HydrophobicContact CG-CZ3 3.66Å; L470-W519 HydrophobicContact CB-CH2 3.96Å; L470-W519 HydrophobicContact CB-CZ3 3.96Å; L470-W519 HydrophobicContact CD1-CZ3 4.44Å; D471-W519 HydrophobicContact CB-CH2 4.32Å; D471-W519 VanDerWaalsContact CG-CH2 3.4Å; D471-W519 WeakPolarHBondContact OD1-CH2 2.89Å; D471-W519 WeakPolarHBondContact OD1-CZ2 3.02Å; E515-W519 VanDerWaalsContact O-CB 3.23Å; E515-W519 WeakPolarHBondContact O-CB 3.35Å; E515-W519 PolarHBondContact O-N 3.17Å; C516-W519 PolarHBondContact O-N 2.94Å; L517-W519 VanDerWaalsContact C-N 3.31Å; L517-W519 PolarHBondContact O-N 2.85Å; W519-R523 HydrophobicContact CH2-CB 4.4Å; W519-R523 HydrophobicContact CH2-CG 4.04Å; W519-R523 HydrophobicContact CZ2-CG 4.27Å; W519-R523 HydrophobicContact CZ3-CB 4.37Å; W519-R523 HydrophobicContact CZ3-CG 4.4Å; W519-R523 WeakPolarHBondContact O-CB 3.42Å; W519-R523 PolarHBondContact O-N 3.21Å |
| 520 | I | 88.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.6 | -52.4 | 179.2 | -71.2 | 169.2 | 0 | 0 | 0 | 110.6 | L463 I466 K467 L470 L490 C516 L517 I518 R523 L524 | L463-I520 HydrophobicContact CB-CD1 4.48Å; L463-I520 HydrophobicContact CD2-CD1 4Å; I466-I520 HydrophobicContact CB-CD1 4.48Å; I466-I520 HydrophobicContact CG2-CD1 4.13Å; I466-I520 HydrophobicContact CG2-CG1 4.35Å; I466-I520 HydrophobicContact CG2-CG2 3.74Å; K467-I520 HydrophobicContact CB-CD1 4.49Å; K467-I520 HydrophobicContact CB-CG1 4.49Å; L470-I520 HydrophobicContact CD1-CB 4.44Å; L470-I520 HydrophobicContact CD1-CG2 3.87Å; L490-I520 HydrophobicContact CD1-CG2 4.04Å; C516-I520 VanDerWaalsContact O-CG1 3.3Å; C516-I520 WeakPolarHBondContact O-CG1 3.42Å; C516-I520 PolarHBondContact O-N 3.44Å; L517-I520 PolarHBondContact O-N 2.89Å; I518-I520 PolarHBondContact O-N 3.16Å; I520-R523 PolarHBondContact O-N 2.72Å; I520-L524 HydrophobicContact CG2-CD1 4.22Å; I520-L524 WeakPolarHBondContact O-CG 3.5Å; I520-L524 PolarHBondContact O-N 3.4Å |
| 521 | L | 89.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.7 | -40.7 | -176 | -68 | 172.2 | 0 | 0 | 0 | 111.9 | L490 F491 L494 L517 I518 R523 L524 L525 W542 L641 | L490-L521 HydrophobicContact CB-CD2 4.18Å; F491-L521 HydrophobicContact CB-CD1 4.3Å; F491-L521 HydrophobicContact CD2-CD1 4.39Å; L494-L521 HydrophobicContact CB-CD1 4.43Å; L494-L521 HydrophobicContact CD2-CD1 3.9Å; L517-L521 WeakPolarHBondContact O-CB 3.03Å; L517-L521 WeakPolarHBondContact O-CG 3.35Å; L517-L521 PolarHBondContact O-N 3.23Å; I518-L521 PolarHBondContact O-N 3.33Å; L521-R523 VanDerWaalsContact C-N 3.31Å; L521-R523 PolarHBondContact O-N 3.21Å; L521-L524 HydrophobicContact CD2-CD1 4.41Å; L521-L524 PolarHBondContact O-N 3.41Å; L521-L525 WeakPolarHBondContact O-CG 3.42Å; L521-L525 PolarHBondContact O-N 3.1Å; L521-W542 HydrophobicContact CB-CH2 4.29Å; L521-W542 HydrophobicContact CD2-CH2 4.08Å; L521-W542 HydrophobicContact CD2-CZ2 3.78Å; L521-L641 HydrophobicContact CB-CD1 4.24Å; L521-L641 HydrophobicContact CB-CD2 3.72Å; L521-L641 HydrophobicContact CD1-CD1 3.94Å; L521-L641 HydrophobicContact CD1-CD2 4.29Å |
| 522 | T | 85.1 | Confident | 79 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 14% | 0.135 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.8 | -38.9 | 174.3 | -54.2 | 0 | 0 | 0 | 0 | 110.9 | I518 L525 S526 F644 M645 | I518-T522 WeakPolarHBondContact O-CB 3.31Å; I518-T522 PolarHBondContact O-N 3.22Å; I518-T522 PolarHBondContact O-OG1 3.33Å; T522-L525 PolarHBondContact O-N 3Å; T522-S526 WeakPolarHBondContact O-CB 3.46Å; T522-S526 PolarHBondContact O-N 3.25Å; T522-S526 PolarHBondContact O-OG 3.5Å; T522-F644 HydrophobicContact CG2-CB 4.45Å; T522-M645 HydrophobicContact CG2-CG 3.88Å |
| 523 | R | 84.2 | Confident | 78.9 | Confident | 96 Ų | 96 | 35.6 Ų | 35.6 | 36% | 0.362 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.9 | -38.6 | 176.4 | -171.6 | 58.7 | 169.9 | 178.9 | -1.3 | 112 | L470 W519 I520 L521 S526 S527 | L470-R523 HydrophobicContact CB-CG 3.98Å; L470-R523 HydrophobicContact CD1-CB 4.45Å; L470-R523 HydrophobicContact CD1-CG 4.45Å; W519-R523 HydrophobicContact CH2-CB 4.4Å; W519-R523 HydrophobicContact CH2-CG 4.04Å; W519-R523 HydrophobicContact CZ2-CG 4.27Å; W519-R523 HydrophobicContact CZ3-CB 4.37Å; W519-R523 HydrophobicContact CZ3-CG 4.4Å; W519-R523 WeakPolarHBondContact O-CB 3.42Å; W519-R523 PolarHBondContact O-N 3.21Å; I520-R523 PolarHBondContact O-N 2.72Å; L521-R523 VanDerWaalsContact C-N 3.31Å; L521-R523 PolarHBondContact O-N 3.21Å; R523-S526 WeakPolarHBondContact CA-OG 3.41Å; R523-S526 PolarHBondContact O-N 2.78Å; R523-S526 PolarHBondContact O-OG 2.9Å; R523-S527 WeakPolarHBondContact O-CB 3.35Å; R523-S527 PolarHBondContact O-N 3.23Å; R523-S527 PolarHBondContact O-OG 3.02Å |
| 524 | L | 85.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 173.7 | -69.5 | 171.2 | 0 | 0 | 0 | 111.7 | L470 I480 I483 I520 L521 S527 L529 | L470-L524 HydrophobicContact CD1-CD2 4.03Å; L470-L524 HydrophobicContact CD1-CG 4.09Å; L470-L524 HydrophobicContact CD2-CD2 3.71Å; I480-L524 HydrophobicContact CG2-CD2 4.42Å; I483-L524 HydrophobicContact CB-CD2 4.06Å; I483-L524 HydrophobicContact CG2-CD1 3.86Å; I483-L524 HydrophobicContact CG2-CD2 3.7Å; I483-L524 HydrophobicContact CG2-CG 4.39Å; I520-L524 HydrophobicContact CG2-CD1 4.22Å; I520-L524 WeakPolarHBondContact O-CG 3.5Å; I520-L524 PolarHBondContact O-N 3.4Å; L521-L524 HydrophobicContact CD2-CD1 4.41Å; L521-L524 PolarHBondContact O-N 3.41Å; L524-S527 PolarHBondContact O-OG 3.11Å; L524-L529 WeakPolarHBondContact O-CD1 3.3Å |
| 525 | L | 79.4 | Confident | 78.3 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -74 | -28 | 179.5 | -66.7 | 174.1 | 0 | 0 | 0 | 113.9 | L521 T522 R535 L538 I539 W542 M645 | L521-L525 WeakPolarHBondContact O-CG 3.42Å; L521-L525 PolarHBondContact O-N 3.1Å; T522-L525 PolarHBondContact O-N 3Å; L525-R535 WeakPolarHBondContact O-CD 3.35Å; L525-L538 HydrophobicContact CD2-CD2 3.99Å; L525-I539 HydrophobicContact CD1-CD1 4.22Å; L525-I539 HydrophobicContact CD1-CG1 4.17Å; L525-I539 HydrophobicContact CD2-CD1 4.2Å; L525-I539 HydrophobicContact CD2-CG1 3.86Å; L525-W542 HydrophobicContact CD1-CH2 3.65Å; L525-W542 HydrophobicContact CD1-CZ3 4.01Å; L525-W542 HydrophobicContact CD2-CH2 4.2Å; L525-W542 HydrophobicContact CG-CH2 4.01Å; L525-M645 HydrophobicContact CB-CE 3.64Å; L525-M645 HydrophobicContact CB-SD 3.64Å; L525-M645 HydrophobicContact CD1-CE 4.38Å; L525-M645 HydrophobicContact CD1-SD 3.38Å; L525-M645 WeakPolarHBondContact CD1-SD 3.49Å; L525-M645 HydrophobicContact CG-SD 4.13Å |
| 526 | S | 73.9 | Confident | 78.2 | Confident | 40 Ų | 40 | 28.9 Ų | 28.9 | 28% | 0.28 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -89.2 | -22.1 | 176.9 | 55 | 0 | 0 | 0 | 0 | 113.7 | T522 R523 | T522-S526 WeakPolarHBondContact O-CB 3.46Å; T522-S526 PolarHBondContact O-N 3.25Å; T522-S526 PolarHBondContact O-OG 3.5Å; R523-S526 WeakPolarHBondContact CA-OG 3.41Å; R523-S526 PolarHBondContact O-N 2.78Å; R523-S526 PolarHBondContact O-OG 2.9Å |
| 527 | S | 66.3 | Low | 78 | Confident | 15 Ų | 15 | 28.8 Ų | 28.8 | 11% | 0.105 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -60.4 | 151.4 | 173.4 | 69.2 | 0 | 0 | 0 | 0 | 110.5 | I480 R523 L524 L529 | I480-S527 WeakPolarHBondContact CG2-OG 3.38Å; R523-S527 WeakPolarHBondContact O-CB 3.35Å; R523-S527 PolarHBondContact O-N 3.23Å; R523-S527 PolarHBondContact O-OG 3.02Å; L524-S527 PolarHBondContact O-OG 3.11Å; S527-L529 PolarHBondContact O-N 2.97Å |
| 528 | N | 57.1 | Low | 77.8 | Confident | 114 Ų | 114 | 28.8 Ų | 28.8 | 61% | 0.61 | 14% | 0.144 | S | C | * | . | trans | -67.5 | 42.7 | -160.3 | -145.7 | 12.2 | 0 | 0 | 0 | 114.7 | Q477 N530 | Q477-N528 PolarHBondContact NE2-O 3.45Å; N528-N530 PolarHBondContact O-N 2.64Å; N528-N530 VanDerWaalsContact O-N 3.15Å; N528-N530 PolarHBondContact O-OD1 2.69Å | ||
| 529 | L | 58.9 | Low | 77.8 | Confident | 17 Ų | 17 | 28.4 Ų | 28.4 | 9% | 0.089 | 14% | 0.142 | C | C | . | . | trans | -52.2 | 117.4 | 175.5 | -66.5 | 170 | 0 | 0 | 0 | 108.2 | I480 L524 S527 S531 R535 L571 | I480-L529 HydrophobicContact CG2-CD2 4.31Å; L524-L529 WeakPolarHBondContact O-CD1 3.3Å; S527-L529 PolarHBondContact O-N 2.97Å; L529-S531 PolarHBondContact O-N 3.01Å; L529-R535 HydrophobicContact CB-CG 4.33Å; L529-R535 HydrophobicContact CD1-CG 3.78Å; L529-L571 HydrophobicContact CD1-CD2 4.26Å; L529-L571 HydrophobicContact CD2-CD2 3.6Å | ||
| 530 | N | 57.9 | Low | 77.7 | Confident | 138 Ų | 138 | 24.5 Ų | 24.5 | 74% | 0.738 | 13% | 0.127 | S | C | * | . | S | Bend | trans | -61.2 | -0.6 | -162.9 | -71 | -26.6 | 0 | 0 | 0 | 116.1 | Q477 N528 | Q477-N530 PolarHBondContact NE2-OD1 3.23Å; N528-N530 PolarHBondContact O-N 2.64Å; N528-N530 VanDerWaalsContact O-N 3.15Å; N528-N530 PolarHBondContact O-OD1 2.69Å |
| 531 | S | 68.6 | Low | 77.5 | Confident | 6 Ų | 6 | 25 Ų | 25 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | trans | -149.5 | 146.7 | 177.1 | 64 | 0 | 0 | 0 | 0 | 112.7 | L529 L533 N534 | L529-S531 PolarHBondContact O-N 3.01Å; S531-L533 PolarHBondContact O-N 3.29Å; S531-N534 PolarHBondContact O-N 2.94Å; S531-N534 WeakPolarHBondContact OG-CB 3.26Å; S531-N534 PolarHBondContact OG-N 2.67Å; S531-N534 PolarHBondContact OG-ND2 3.06Å | ||
| 532 | R | 74.8 | Confident | 77.4 | Confident | 17 Ų | 17 | 25.3 Ų | 25.3 | 6% | 0.064 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.7 | -37.4 | 171.5 | -72.6 | 167.1 | 60.2 | 177 | 1.4 | 110.4 | N534 R535 L536 E556 L557 E560 T681 D685 Q742 | R532-N534 VanDerWaalsContact C-N 3.34Å; R532-N534 PolarHBondContact O-N 3.47Å; R532-R535 PolarHBondContact O-N 3.46Å; R532-L536 PolarHBondContact O-N 3.07Å; R532-E556 IonicContact NH1-OE2 3.33Å; R532-E556 PolarHBondContact NH1-OE2 2.9Å; R532-L557 HydrophobicContact CB-CD2 3.65Å; R532-E560 PolarHBondContact N-OE2 3.28Å; R532-T681 PolarHBondContact NE-OG1 3.32Å; R532-D685 IonicContact CZ-OD2 2.66Å; R532-D685 IonicContact NE-OD2 3.42Å; R532-D685 PolarHBondContact NE-OD2 3.06Å; R532-D685 VanDerWaalsContact NE-OD2 3.09Å; R532-D685 VanDerWaalsContact NH2-CG 3.27Å; R532-D685 IonicContact NH2-OD1 3.71Å; R532-D685 PolarHBondContact NH2-OD1 3.01Å; R532-D685 IonicContact NH2-OD2 2.71Å; R532-D685 PolarHBondContact NH2-OD2 3.08Å; R532-Q742 VanDerWaalsContact NH1-OE1 3.17Å |
| 533 | L | 76.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.9 | -41.3 | 177 | -160.2 | 98.1 | 0 | 0 | 0 | 113.4 | S531 R535 L536 S537 L550 W570 | S531-L533 PolarHBondContact O-N 3.29Å; L533-R535 VanDerWaalsContact C-N 3.31Å; L533-R535 PolarHBondContact O-N 2.85Å; L533-L536 PolarHBondContact O-N 2.94Å; L533-S537 PolarHBondContact O-N 3.04Å; L533-S537 PolarHBondContact O-OG 3.17Å; L533-L550 HydrophobicContact CD1-CD1 4.16Å; L533-L550 HydrophobicContact CD1-CD2 3.75Å; L533-L550 HydrophobicContact CD1-CG 4.43Å; L533-W570 HydrophobicContact CD2-CD2 4.12Å; L533-W570 HydrophobicContact CD2-CG 4.32Å |
| 534 | N | 78.3 | Confident | 77 | Confident | 22 Ų | 22 | 24.8 Ų | 24.8 | 12% | 0.118 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.4 | -30.7 | -178.7 | -82 | -26.7 | 0 | 0 | 0 | 113 | S531 R532 S537 L538 L571 | S531-N534 PolarHBondContact O-N 2.94Å; S531-N534 WeakPolarHBondContact OG-CB 3.26Å; S531-N534 PolarHBondContact OG-N 2.67Å; S531-N534 PolarHBondContact OG-ND2 3.06Å; R532-N534 VanDerWaalsContact C-N 3.34Å; R532-N534 PolarHBondContact O-N 3.47Å; N534-S537 WeakPolarHBondContact CA-OG 3.48Å; N534-S537 PolarHBondContact O-OG 2.9Å; N534-L538 VanDerWaalsContact O-CB 3.28Å; N534-L538 WeakPolarHBondContact O-CB 3.36Å; N534-L538 PolarHBondContact O-N 3.29Å; N534-L538 VanDerWaalsContact O-N 3.08Å; N534-L571 HydrophobicContact CB-CB 3.99Å; N534-L571 HydrophobicContact CB-CD2 4.38Å; N534-L571 PolarHBondContact OD1-N 3.13Å |
| 535 | R | 81.3 | Confident | 76.7 | Confident | 14 Ų | 14 | 25.5 Ų | 25.5 | 5% | 0.053 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71.1 | -43.1 | 174.4 | -70.3 | -178.3 | -65.3 | 173.8 | 7.8 | 110.7 | L525 L529 R532 L533 L538 I539 N678 T682 | L525-R535 WeakPolarHBondContact O-CD 3.35Å; L529-R535 HydrophobicContact CB-CG 4.33Å; L529-R535 HydrophobicContact CD1-CG 3.78Å; R532-R535 PolarHBondContact O-N 3.46Å; L533-R535 VanDerWaalsContact C-N 3.31Å; L533-R535 PolarHBondContact O-N 2.85Å; R535-L538 PolarHBondContact O-N 2.88Å; R535-I539 WeakPolarHBondContact O-CG1 3.36Å; R535-I539 PolarHBondContact O-N 3.26Å; R535-I539 VanDerWaalsContact O-N 3.07Å; R535-N678 VanDerWaalsContact CZ-O 3.31Å; R535-N678 PolarHBondContact NH1-O 3.14Å; R535-N678 PolarHBondContact NH2-O 3.38Å; R535-T682 HydrophobicContact CB-CG2 4.14Å |
| 536 | L | 82.6 | Confident | 76.7 | Confident | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 175.7 | -179.6 | 60.4 | 0 | 0 | 0 | 111.6 | R532 L533 L538 I539 R540 P548 L686 | R532-L536 PolarHBondContact O-N 3.07Å; L533-L536 PolarHBondContact O-N 2.94Å; L536-L538 VanDerWaalsContact C-N 3.32Å; L536-L538 PolarHBondContact O-N 3.46Å; L536-I539 PolarHBondContact O-N 3.18Å; L536-R540 HydrophobicContact CD1-CG 4.37Å; L536-R540 WeakPolarHBondContact O-CB 3.17Å; L536-R540 VanDerWaalsContact O-CG 3.23Å; L536-R540 WeakPolarHBondContact O-CG 3.48Å; L536-R540 PolarHBondContact O-N 3.31Å; L536-P548 HydrophobicContact CD2-CB 3.71Å; L536-P548 HydrophobicContact CD2-CG 3.66Å; L536-P548 HydrophobicContact CG-CB 4.22Å; L536-P548 HydrophobicContact CG-CG 3.97Å; L536-L686 HydrophobicContact CD1-CB 3.96Å; L536-L686 HydrophobicContact CD1-CD1 3.7Å; L536-L686 HydrophobicContact CD1-CG 4.46Å |
| 537 | S | 83.3 | Confident | 76.7 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -37.8 | 178.2 | 64.2 | 0 | 0 | 0 | 0 | 112.4 | L533 N534 R540 S541 L571 | L533-S537 PolarHBondContact O-N 3.04Å; L533-S537 PolarHBondContact O-OG 3.17Å; N534-S537 WeakPolarHBondContact CA-OG 3.48Å; N534-S537 PolarHBondContact O-OG 2.9Å; S537-R540 PolarHBondContact O-N 2.91Å; S537-S541 WeakPolarHBondContact O-CB 3.45Å; S537-S541 PolarHBondContact O-N 3.33Å; S537-L571 CarbonylContact C-O 3.45Å; S537-L571 WeakPolarHBondContact CB-O 3.47Å; S537-L571 PolarHBondContact OG-O 3.46Å |
| 538 | L | 85.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -49.2 | 178 | -175.3 | 64.5 | 0 | 0 | 0 | 111.6 | C484 L525 N534 R535 L536 R540 S541 W542 L571 A573 | C484-L538 HydrophobicContact CB-CD1 4.23Å; C484-L538 HydrophobicContact CB-CD2 3.97Å; C484-L538 WeakPolarHBondContact O-CD1 3.28Å; L525-L538 HydrophobicContact CD2-CD2 3.99Å; N534-L538 VanDerWaalsContact O-CB 3.28Å; N534-L538 WeakPolarHBondContact O-CB 3.36Å; N534-L538 PolarHBondContact O-N 3.29Å; N534-L538 VanDerWaalsContact O-N 3.08Å; R535-L538 PolarHBondContact O-N 2.88Å; L536-L538 VanDerWaalsContact C-N 3.32Å; L536-L538 PolarHBondContact O-N 3.46Å; L538-R540 VanDerWaalsContact C-N 3.3Å; L538-R540 PolarHBondContact O-N 2.75Å; L538-S541 PolarHBondContact O-N 3.14Å; L538-S541 VanDerWaalsContact O-N 3.14Å; L538-S541 PolarHBondContact O-OG 3.29Å; L538-W542 HydrophobicContact CD2-CZ2 4.39Å; L538-W542 HydrophobicContact CG-CZ2 4.32Å; L538-W542 PolarHBondContact O-N 3.17Å; L538-L571 PolarHBondContact N-O 3.44Å; L538-A573 HydrophobicContact CD1-CB 4.1Å |
| 539 | I | 86.2 | Confident | 77.8 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.1 | -44.8 | 177.7 | -67.3 | 169.1 | 0 | 0 | 0 | 110.4 | L525 R535 L536 S541 W542 L638 L642 L686 | L525-I539 HydrophobicContact CD1-CD1 4.22Å; L525-I539 HydrophobicContact CD1-CG1 4.17Å; L525-I539 HydrophobicContact CD2-CD1 4.2Å; L525-I539 HydrophobicContact CD2-CG1 3.86Å; R535-I539 WeakPolarHBondContact O-CG1 3.36Å; R535-I539 PolarHBondContact O-N 3.26Å; R535-I539 VanDerWaalsContact O-N 3.07Å; L536-I539 PolarHBondContact O-N 3.18Å; I539-S541 VanDerWaalsContact C-N 3.3Å; I539-S541 PolarHBondContact O-N 3.4Å; I539-W542 HydrophobicContact CG1-CE3 4.49Å; I539-W542 HydrophobicContact CG1-CZ3 4.23Å; I539-W542 WeakPolarHBondContact O-CB 3.48Å; I539-W542 PolarHBondContact O-N 3.32Å; I539-L638 HydrophobicContact CG2-CD1 3.57Å; I539-L642 HydrophobicContact CD1-CD2 4.48Å; I539-L686 HydrophobicContact CG2-CD1 4.05Å; I539-L686 HydrophobicContact CG2-CD2 3.97Å |
| 540 | R | 87 | Confident | 78.3 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61 | -39.3 | 177.4 | -71.4 | 174.3 | 69.9 | 84.8 | 5.4 | 112.1 | L536 S537 L538 W542 F543 N544 L545 P546 L686 S689 D693 | L536-R540 HydrophobicContact CD1-CG 4.37Å; L536-R540 WeakPolarHBondContact O-CB 3.17Å; L536-R540 VanDerWaalsContact O-CG 3.23Å; L536-R540 WeakPolarHBondContact O-CG 3.48Å; L536-R540 PolarHBondContact O-N 3.31Å; S537-R540 PolarHBondContact O-N 2.91Å; L538-R540 VanDerWaalsContact C-N 3.3Å; L538-R540 PolarHBondContact O-N 2.75Å; R540-W542 PolarHBondContact O-N 2.99Å; R540-F543 PolarHBondContact O-N 2.97Å; R540-F543 VanDerWaalsContact O-N 3.09Å; R540-N544 PolarHBondContact O-N 3.32Å; R540-L545 HydrophobicContact CB-CB 3.98Å; R540-L545 HydrophobicContact CG-CB 4.41Å; R540-L545 PolarHBondContact O-N 3.09Å; R540-P546 PolarHBondContact NE-O 3.13Å; R540-P546 PolarHBondContact NH2-O 3.41Å; R540-L686 HydrophobicContact CG-CD1 4.28Å; R540-S689 PolarHBondContact NH1-OG 3.27Å; R540-D693 IonicContact CZ-OD1 2.7Å; R540-D693 IonicContact CZ-OD2 3.89Å; R540-D693 IonicContact NH1-OD1 2.9Å; R540-D693 IonicContact NH1-OD2 3.85Å; R540-D693 PolarHBondContact NH1-OD2 3.39Å; R540-D693 VanDerWaalsContact NH2-CG 3.26Å; R540-D693 IonicContact NH2-OD1 3.02Å; R540-D693 PolarHBondContact NH2-OD1 2.88Å; R540-D693 IonicContact NH2-OD2 3.52Å; R540-D693 PolarHBondContact NH2-OD2 2.92Å |
| 541 | S | 85.5 | Confident | 78.8 | Confident | 12 Ų | 12 | 27.3 Ų | 27.3 | 8% | 0.084 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.6 | -23 | 178.4 | 74.3 | 0 | 0 | 0 | 0 | 114.2 | R488 S537 L538 I539 F543 N544 A573 | R488-S541 PolarHBondContact NH1-O 3.18Å; S537-S541 WeakPolarHBondContact O-CB 3.45Å; S537-S541 PolarHBondContact O-N 3.33Å; L538-S541 PolarHBondContact O-N 3.14Å; L538-S541 VanDerWaalsContact O-N 3.14Å; L538-S541 PolarHBondContact O-OG 3.29Å; I539-S541 VanDerWaalsContact C-N 3.3Å; I539-S541 PolarHBondContact O-N 3.4Å; S541-F543 VanDerWaalsContact C-N 3.29Å; S541-F543 PolarHBondContact O-N 3.38Å; S541-N544 PolarHBondContact O-N 2.85Å; S541-A573 VanDerWaalsContact OG-CB 3.27Å; S541-A573 WeakPolarHBondContact OG-CB 3.22Å; S541-A573 PolarHBondContact OG-N 2.93Å |
| 542 | W | 86.5 | Confident | 78.6 | Confident | 6 Ų | 6 | 29 Ų | 29 | 2% | 0.023 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.3 | -33.5 | 172.7 | -65.1 | -19.7 | 0 | 0 | 0 | 112.5 | S487 R488 F491 L521 L525 L538 I539 R540 L641 | S487-W542 PolarHBondContact OG-NE1 2.8Å; R488-W542 PolarHBondContact NE-O 2.87Å; F491-W542 HydrophobicContact CB-CB 4.47Å; F491-W542 HydrophobicContact CB-CD2 4.08Å; F491-W542 HydrophobicContact CB-CG 4.07Å; F491-W542 HydrophobicContact CD1-CB 3.73Å; F491-W542 HydrophobicContact CD1-CG 4.22Å; F491-W542 HydrophobicContact CD2-CB 4.49Å; F491-W542 AromaticContact CD2-CD2 3.94Å; F491-W542 HydrophobicContact CD2-CD2 3.94Å; F491-W542 AromaticContact CD2-CE3 3.54Å; F491-W542 HydrophobicContact CD2-CE3 3.54Å; F491-W542 HydrophobicContact CD2-CG 4.38Å; F491-W542 HydrophobicContact CD2-CZ3 4.03Å; F491-W542 HydrophobicContact CE1-CB 4.05Å; F491-W542 AromaticContact CE2-CE3 3.89Å; F491-W542 HydrophobicContact CE2-CE3 3.89Å; F491-W542 HydrophobicContact CE2-CZ3 4.43Å; F491-W542 HydrophobicContact CG-CB 3.97Å; F491-W542 AromaticContact CG-CD2 3.95Å; F491-W542 HydrophobicContact CG-CD2 3.95Å; F491-W542 HydrophobicContact CG-CE3 4.04Å; F491-W542 AromaticContact CG-CG 3.95Å; F491-W542 HydrophobicContact CG-CG 3.95Å; L521-W542 HydrophobicContact CB-CH2 4.29Å; L521-W542 HydrophobicContact CD2-CH2 4.08Å; L521-W542 HydrophobicContact CD2-CZ2 3.78Å; L525-W542 HydrophobicContact CD1-CH2 3.65Å; L525-W542 HydrophobicContact CD1-CZ3 4.01Å; L525-W542 HydrophobicContact CD2-CH2 4.2Å; L525-W542 HydrophobicContact CG-CH2 4.01Å; L538-W542 HydrophobicContact CD2-CZ2 4.39Å; L538-W542 HydrophobicContact CG-CZ2 4.32Å; L538-W542 PolarHBondContact O-N 3.17Å; I539-W542 HydrophobicContact CG1-CE3 4.49Å; I539-W542 HydrophobicContact CG1-CZ3 4.23Å; I539-W542 WeakPolarHBondContact O-CB 3.48Å; I539-W542 PolarHBondContact O-N 3.32Å; R540-W542 PolarHBondContact O-N 2.99Å; W542-L641 HydrophobicContact CH2-CD1 4.34Å; W542-L641 HydrophobicContact CZ3-CD1 3.82Å |
| 543 | F | 82.1 | Confident | 78.5 | Confident | 26 Ų | 26 | 28.1 Ų | 28.1 | 11% | 0.114 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 8.7 | 177.4 | -71.7 | -90.6 | 0 | 0 | 0 | 113.7 | F491 R540 S541 L545 L631 I635 L638 V723 I727 | F491-F543 HydrophobicContact CE1-CE2 4.13Å; F491-F543 HydrophobicContact CE1-CZ 4.15Å; F491-F543 HydrophobicContact CE2-CE2 4.47Å; F491-F543 HydrophobicContact CZ-CE1 4.48Å; F491-F543 AromaticContact CZ-CE2 3.65Å; F491-F543 HydrophobicContact CZ-CE2 3.65Å; F491-F543 AromaticContact CZ-CZ 3.63Å; F491-F543 HydrophobicContact CZ-CZ 3.63Å; R540-F543 PolarHBondContact O-N 2.97Å; R540-F543 VanDerWaalsContact O-N 3.09Å; S541-F543 VanDerWaalsContact C-N 3.29Å; S541-F543 PolarHBondContact O-N 3.38Å; F543-L545 HydrophobicContact CB-CD1 4.03Å; F543-L545 HydrophobicContact CB-CG 3.88Å; F543-L545 PolarHBondContact O-N 3.14Å; F543-L545 VanDerWaalsContact O-N 3.13Å; F543-L631 HydrophobicContact CD1-CD1 4.3Å; F543-L631 HydrophobicContact CE1-CD1 4.34Å; F543-I635 HydrophobicContact CE1-CG1 4.24Å; F543-L638 HydrophobicContact CE2-CB 3.93Å; F543-L638 HydrophobicContact CE2-CD1 4.25Å; F543-L638 HydrophobicContact CE2-CD2 3.6Å; F543-L638 HydrophobicContact CE2-CG 4.12Å; F543-L638 HydrophobicContact CZ-CB 3.78Å; F543-L638 HydrophobicContact CZ-CD2 3.82Å; F543-L638 HydrophobicContact CZ-CG 4.34Å; F543-V723 HydrophobicContact CD1-CG1 4.28Å; F543-I727 HydrophobicContact CD1-CD1 3.91Å; F543-I727 HydrophobicContact CD2-CD1 4.43Å; F543-I727 HydrophobicContact CE1-CD1 4.05Å; F543-I727 HydrophobicContact CE1-CG1 4.36Å; F543-I727 HydrophobicContact CG-CD1 4.1Å; F543-I727 HydrophobicContact CZ-CD1 4.38Å |
| 544 | N | 78.9 | Confident | 78.1 | Confident | 81 Ų | 81 | 28.3 Ų | 28.3 | 43% | 0.433 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 17.7 | -171 | -96.1 | -22.6 | 0 | 0 | 0 | 114.3 | R488 R540 S541 N626 | R488-N544 PolarHBondContact NH1-OD1 3.13Å; R488-N544 PolarHBondContact NH2-ND2 3.38Å; R488-N544 PolarHBondContact NH2-OD1 2.98Å; R540-N544 PolarHBondContact O-N 3.32Å; S541-N544 PolarHBondContact O-N 2.85Å; N544-N626 PolarHBondContact ND2-ND2 2.95Å; N544-N626 VanDerWaalsContact ND2-ND2 3.14Å; N544-N626 PolarHBondContact ND2-OD1 3.38Å |
| 545 | L | 81 | Confident | 77.5 | Confident | 14 Ų | 14 | 29.6 Ų | 29.6 | 7% | 0.073 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 143.2 | 178.1 | -69.2 | 172.1 | 0 | 0 | 0 | 109.7 | R540 F543 L690 I720 V723 I727 | R540-L545 HydrophobicContact CB-CB 3.98Å; R540-L545 HydrophobicContact CG-CB 4.41Å; R540-L545 PolarHBondContact O-N 3.09Å; F543-L545 HydrophobicContact CB-CD1 4.03Å; F543-L545 HydrophobicContact CB-CG 3.88Å; F543-L545 PolarHBondContact O-N 3.14Å; F543-L545 VanDerWaalsContact O-N 3.13Å; L545-L690 HydrophobicContact CD1-CD2 3.74Å; L545-I720 HydrophobicContact CD2-CB 4.47Å; L545-I720 HydrophobicContact CD2-CG1 4.47Å; L545-I720 HydrophobicContact CD2-CG2 4.02Å; L545-V723 HydrophobicContact CD2-CG1 4.17Å; L545-I727 HydrophobicContact CD1-CD1 4.19Å |
| 546 | P | 77.6 | Confident | 76.7 | Confident | 57 Ų | 57 | 33.7 Ų | 33.7 | 37% | 0.37 | 18% | 0.18 | S | C | . | . | P | Polyproline II helix | trans | -61.3 | 164 | 175.9 | 28.9 | -36 | 0 | 0 | 0 | 109.4 | R540 I720 | R540-P546 PolarHBondContact NE-O 3.13Å; R540-P546 PolarHBondContact NH2-O 3.41Å; P546-I720 HydrophobicContact CG-CD1 4.05Å; P546-I720 HydrophobicContact CG-CG2 4.36Å |
| 547 | T | 74 | Confident | 76 | Confident | 80 Ų | 80 | 33.5 Ų | 33.5 | 49% | 0.491 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -64.3 | 146.4 | 178.2 | 67 | 0 | 0 | 0 | 0 | 111.4 | S549 W570 | T547-S549 PolarHBondContact O-N 3.48Å; T547-W570 HydrophobicContact CG2-CE3 3.57Å; T547-W570 HydrophobicContact CG2-CZ3 3.95Å; T547-W570 WeakPolarHBondContact OG1-CZ3 3.33Å |
| 548 | P | 74.5 | Confident | 75.3 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 135.3 | -165.6 | 26.8 | -34.5 | 0 | 0 | 0 | 111.5 | L536 L550 | L536-P548 HydrophobicContact CD2-CB 3.71Å; L536-P548 HydrophobicContact CD2-CG 3.66Å; L536-P548 HydrophobicContact CG-CB 4.22Å; L536-P548 HydrophobicContact CG-CG 3.97Å; P548-L550 PolarHBondContact O-N 3.47Å |
| 549 | S | 73 | Confident | 74.4 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -72 | 124.9 | 173.9 | 82.8 | 0 | 0 | 0 | 0 | 110.2 | T547 M553 T692 F696 | T547-S549 PolarHBondContact O-N 3.48Å; S549-M553 VanDerWaalsContact O-CG 3.3Å; S549-M553 WeakPolarHBondContact O-CG 3.22Å; S549-T692 WeakPolarHBondContact OG-CB 3.39Å; S549-T692 PolarHBondContact OG-OG1 3.41Å; S549-F696 WeakPolarHBondContact OG-CE2 3.45Å |
| 550 | L | 70.1 | Confident | 73.3 | Confident | 28 Ų | 28 | 45.2 Ų | 45.2 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | trans | -89.3 | -8 | -176 | -69.8 | 174.7 | 0 | 0 | 0 | 114.1 | L533 P548 L552 M553 L557 Q558 M561 | L533-L550 HydrophobicContact CD1-CD1 4.16Å; L533-L550 HydrophobicContact CD1-CD2 3.75Å; L533-L550 HydrophobicContact CD1-CG 4.43Å; P548-L550 PolarHBondContact O-N 3.47Å; L550-L552 PolarHBondContact O-N 2.89Å; L550-L552 VanDerWaalsContact O-N 3.07Å; L550-M553 HydrophobicContact CD2-CB 4.05Å; L550-M553 HydrophobicContact CD2-CG 4.08Å; L550-M553 PolarHBondContact O-N 3.48Å; L550-L557 HydrophobicContact CD2-CB 4.3Å; L550-Q558 PolarHBondContact O-NE2 3.27Å; L550-M561 HydrophobicContact CD1-CB 3.71Å; L550-M561 HydrophobicContact CD1-CG 3.74Å; L550-M561 HydrophobicContact CD1-SD 4.35Å | ||
| 551 | K | 68.3 | Low | 71.9 | Confident | 169 Ų | 169 | 47.9 Ų | 47.9 | 74% | 0.735 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.4 | -172.5 | -72.6 | -177.4 | 179.3 | 175.3 | 0 | 113.9 | F696 | K551-F696 HydrophobicContact CD-CZ 4.4Š|
| 552 | L | 64.2 | Low | 70.6 | Confident | 41 Ų | 41 | 50.7 Ų | 50.7 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | 18.4 | -176.2 | -65.3 | 161.8 | 0 | 0 | 0 | 111.7 | L550 T692 L750 | L550-L552 PolarHBondContact O-N 2.89Å; L550-L552 VanDerWaalsContact O-N 3.07Å; L552-T692 HydrophobicContact CB-CG2 3.73Å; L552-T692 HydrophobicContact CD1-CG2 4.34Å; L552-L750 HydrophobicContact CB-CD1 4.42Å; L552-L750 HydrophobicContact CD1-CD1 3.67Å |
| 553 | M | 72.4 | Confident | 69.4 | Low | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -97.9 | 155.3 | 177.9 | -72 | -59.9 | 109.9 | 0 | 0 | 112.3 | S549 L550 L557 Q558 L688 T692 Q746 | S549-M553 VanDerWaalsContact O-CG 3.3Å; S549-M553 WeakPolarHBondContact O-CG 3.22Å; L550-M553 HydrophobicContact CD2-CB 4.05Å; L550-M553 HydrophobicContact CD2-CG 4.08Å; L550-M553 PolarHBondContact O-N 3.48Å; M553-L557 HydrophobicContact CB-CD1 4.41Å; M553-Q558 PolarHBondContact O-NE2 2.97Å; M553-Q558 VanDerWaalsContact O-NE2 3.08Å; M553-L688 HydrophobicContact CE-CB 3.71Å; M553-L688 WeakPolarHBondContact CE-O 3.48Å; M553-L688 HydrophobicContact SD-CB 3.96Å; M553-T692 HydrophobicContact CE-CG2 3.28Å; M553-Q746 PolarHBondContact O-OE1 3.18Å |
| 554 | P | 67.7 | Low | 68 | Low | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.019 | 30% | 0.303 | C | S | . | . | trans | -43.2 | 140.9 | 179.9 | -32.6 | 34.1 | 0 | 0 | 0 | 114.2 | E556 L557 Q558 L688 | P554-E556 PolarHBondContact O-N 3.38Å; P554-E556 VanDerWaalsContact O-N 3.09Å; P554-L557 PolarHBondContact O-N 3.41Å; P554-Q558 PolarHBondContact O-N 3.35Å; P554-L688 HydrophobicContact CG-CD1 4.41Å | ||
| 555 | S | 65.4 | Low | 66.4 | Low | 49 Ų | 49 | 58.2 Ų | 58.2 | 34% | 0.343 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.8 | -30.9 | -177.4 | 52 | 0 | 0 | 0 | 0 | 112.4 | Q558 H559 | S555-Q558 PolarHBondContact O-N 3.49Å; S555-H559 WeakPolarHBondContact O-CB 3.4Å; S555-H559 PolarHBondContact O-CD2 3.01Å; S555-H559 PolarHBondContact O-N 3.08Å |
| 556 | E | 64.9 | Low | 64.4 | Low | 101 Ų | 101 | 61.6 Ų | 61.6 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 175.5 | -63.1 | 171.1 | 175.6 | 0 | 0 | 112.7 | R532 P554 H559 E560 Q742 | R532-E556 IonicContact NH1-OE2 3.33Å; R532-E556 PolarHBondContact NH1-OE2 2.9Å; P554-E556 PolarHBondContact O-N 3.38Å; P554-E556 VanDerWaalsContact O-N 3.09Å; E556-H559 PolarHBondContact O-N 3.21Å; E556-E560 PolarHBondContact O-N 3.5Å; E556-Q742 PolarHBondContact OE2-OE1 3.13Å |
| 557 | L | 67.8 | Low | 62.7 | Low | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.9 | -35.4 | 176.2 | -71.5 | 173.7 | 0 | 0 | 0 | 111.7 | R532 L550 M553 P554 H559 E560 M561 D685 | R532-L557 HydrophobicContact CB-CD2 3.65Å; L550-L557 HydrophobicContact CD2-CB 4.3Å; M553-L557 HydrophobicContact CB-CD1 4.41Å; P554-L557 PolarHBondContact O-N 3.41Å; L557-H559 VanDerWaalsContact C-N 3.3Å; L557-E560 PolarHBondContact O-N 3.47Å; L557-M561 PolarHBondContact O-N 2.94Å; L557-D685 HydrophobicContact CD1-CB 4.34Å |
| 558 | Q | 69.2 | Low | 61.3 | Low | 78 Ų | 78 | 66.2 Ų | 66.2 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.6 | -37 | 172.3 | -62.4 | -180 | -6.7 | 0 | 0 | 111.3 | L550 M553 P554 S555 M561 S562 | L550-Q558 PolarHBondContact O-NE2 3.27Å; M553-Q558 PolarHBondContact O-NE2 2.97Å; M553-Q558 VanDerWaalsContact O-NE2 3.08Å; P554-Q558 PolarHBondContact O-N 3.35Å; S555-Q558 PolarHBondContact O-N 3.49Å; Q558-M561 WeakPolarHBondContact O-CB 3.38Å; Q558-M561 PolarHBondContact O-N 3.49Å; Q558-S562 PolarHBondContact O-N 3.46Å |
| 559 | H | 66.3 | Low | 60.4 | Low | 121 Ų | 121 | 73.9 Ų | 73.9 | 56% | 0.56 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -70.8 | -41.7 | 174.9 | -79.5 | -57.6 | 0 | 0 | 0 | 112.7 | S555 E556 L557 M561 S562 I563 | S555-H559 WeakPolarHBondContact O-CB 3.4Å; S555-H559 PolarHBondContact O-CD2 3.01Å; S555-H559 PolarHBondContact O-N 3.08Å; E556-H559 PolarHBondContact O-N 3.21Å; L557-H559 VanDerWaalsContact C-N 3.3Å; H559-M561 PolarHBondContact O-N 3.15Å; H559-S562 PolarHBondContact O-N 3.08Å; H559-S562 PolarHBondContact O-OG 3.06Å; H559-I563 PolarHBondContact O-N 3.42Å |
| 560 | E | 63 | Low | 60 | Low | 54 Ų | 54 | 75.8 Ų | 75.8 | 25% | 0.252 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -53.8 | -40.9 | 172 | -79.4 | -169.7 | 175 | 0 | 0 | 111.1 | R532 E556 L557 S562 I563 M564 | R532-E560 PolarHBondContact N-OE2 3.28Å; E556-E560 PolarHBondContact O-N 3.5Å; L557-E560 PolarHBondContact O-N 3.47Å; E560-S562 PolarHBondContact O-N 3.34Å; E560-I563 PolarHBondContact O-N 3.15Å; E560-M564 WeakPolarHBondContact O-CG 3.48Å; E560-M564 PolarHBondContact O-N 2.99Å |
| 561 | M | 57.6 | Low | 60.1 | Low | 57 Ų | 57 | 75 Ų | 75 | 28% | 0.281 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 176.3 | -177.7 | 62.5 | -177.3 | 0 | 0 | 113 | L550 L557 Q558 H559 I563 M564 S565 W570 | L550-M561 HydrophobicContact CD1-CB 3.71Å; L550-M561 HydrophobicContact CD1-CG 3.74Å; L550-M561 HydrophobicContact CD1-SD 4.35Å; L557-M561 PolarHBondContact O-N 2.94Å; Q558-M561 WeakPolarHBondContact O-CB 3.38Å; Q558-M561 PolarHBondContact O-N 3.49Å; H559-M561 PolarHBondContact O-N 3.15Å; M561-I563 PolarHBondContact O-N 3.23Å; M561-M564 PolarHBondContact O-N 3.14Å; M561-S565 WeakPolarHBondContact O-CB 3.35Å; M561-S565 PolarHBondContact O-N 3.19Å; M561-W570 HydrophobicContact CE-CZ2 3.67Å; M561-W570 HydrophobicContact SD-CZ2 3.83Å |
| 562 | S | 59 | Low | 60.5 | Low | 71 Ų | 71 | 69.7 Ų | 69.7 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.5 | -33.1 | 177.8 | 72.3 | 0 | 0 | 0 | 0 | 112.3 | Q558 H559 E560 S565 | Q558-S562 PolarHBondContact O-N 3.46Å; H559-S562 PolarHBondContact O-N 3.08Å; H559-S562 PolarHBondContact O-OG 3.06Å; E560-S562 PolarHBondContact O-N 3.34Å; S562-S565 PolarHBondContact O-OG 3.13Å |
| 563 | I | 59.6 | Low | 61.3 | Low | 134 Ų | 134 | 68.2 Ų | 68.2 | 69% | 0.687 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -78.2 | -35.2 | 178.1 | -60.2 | 167.1 | 0 | 0 | 0 | 111.3 | H559 E560 M561 | H559-I563 PolarHBondContact O-N 3.42Å; E560-I563 PolarHBondContact O-N 3.15Å; M561-I563 PolarHBondContact O-N 3.23Å |
| 564 | M | 53.7 | Low | 61.8 | Low | 46 Ų | 46 | 71.7 Ų | 71.7 | 23% | 0.227 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -82.8 | -11.5 | -178.8 | -68.7 | -174.7 | 69.5 | 0 | 0 | 114.4 | E560 M561 S566 | E560-M564 WeakPolarHBondContact O-CG 3.48Å; E560-M564 PolarHBondContact O-N 2.99Å; M561-M564 PolarHBondContact O-N 3.14Å; M564-S566 PolarHBondContact O-N 2.87Å |
| 565 | S | 44.6 | Very low | 62.3 | Low | 91 Ų | 91 | 73.8 Ų | 73.8 | 64% | 0.636 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 5.4 | -171.7 | 65.8 | 0 | 0 | 0 | 0 | 116.8 | M561 S562 | M561-S565 WeakPolarHBondContact O-CB 3.35Å; M561-S565 PolarHBondContact O-N 3.19Å; S562-S565 PolarHBondContact O-OG 3.13Å |
| 566 | S | 40.3 | Very low | 62.9 | Low | 85 Ų | 85 | 72 Ų | 72 | 59% | 0.594 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 98.7 | 163.4 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | M564 | M564-S566 PolarHBondContact O-N 2.87Š|
| 567 | T | 40.8 | Very low | 63.4 | Low | 140 Ų | 140 | 69.7 Ų | 69.7 | 86% | 0.859 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | 21 | 149.4 | 66.4 | 0 | 0 | 0 | 0 | 122.7 | ||
| 568 | T | 45.7 | Very low | 63.1 | Low | 93 Ų | 93 | 76.4 Ų | 76.4 | 57% | 0.571 | 42% | 0.419 | S | S | * | . | trans | -140.5 | 126 | 170.5 | 56.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 569 | D | 55.7 | Low | 63.1 | Low | 164 Ų | 164 | 74 Ų | 74 | 88% | 0.877 | 41% | 0.41 | S | S | * | . | trans | -52.6 | 137 | 170.6 | -72.6 | -33.8 | 0 | 0 | 0 | 111.4 | ||||
| 570 | W | 63.3 | Low | 63.6 | Low | 67 Ų | 67 | 68.2 Ų | 68.2 | 25% | 0.254 | 38% | 0.384 | S | S | . | . | trans | -60.8 | 149.7 | 177.7 | -58.4 | -9.2 | 0 | 0 | 0 | 110.2 | L533 T547 M561 S572 | L533-W570 HydrophobicContact CD2-CD2 4.12Å; L533-W570 HydrophobicContact CD2-CG 4.32Å; T547-W570 HydrophobicContact CG2-CE3 3.57Å; T547-W570 HydrophobicContact CG2-CZ3 3.95Å; T547-W570 WeakPolarHBondContact OG1-CZ3 3.33Å; M561-W570 HydrophobicContact CE-CZ2 3.67Å; M561-W570 HydrophobicContact SD-CZ2 3.83Å; W570-S572 PolarHBondContact O-N 2.95Å | ||
| 571 | L | 73.6 | Confident | 64.2 | Low | 10 Ų | 10 | 67.8 Ų | 67.8 | 5% | 0.052 | 38% | 0.382 | C | S | . | . | trans | -69.4 | 99.9 | 178 | -172.3 | 65.7 | 0 | 0 | 0 | 110.1 | T481 C484 K485 L529 N534 S537 L538 | T481-L571 HydrophobicContact CG2-CD1 3.77Å; C484-L571 HydrophobicContact CB-CD1 4.1Å; C484-L571 HydrophobicContact CB-CD2 3.76Å; C484-L571 HydrophobicContact CB-CG 4.2Å; K485-L571 HydrophobicContact CG-CD1 3.91Å; L529-L571 HydrophobicContact CD1-CD2 4.26Å; L529-L571 HydrophobicContact CD2-CD2 3.6Å; N534-L571 HydrophobicContact CB-CB 3.99Å; N534-L571 HydrophobicContact CB-CD2 4.38Å; N534-L571 PolarHBondContact OD1-N 3.13Å; S537-L571 CarbonylContact C-O 3.45Å; S537-L571 WeakPolarHBondContact CB-O 3.47Å; S537-L571 PolarHBondContact OG-O 3.46Å; L538-L571 PolarHBondContact N-O 3.44Å | ||
| 572 | S | 76.6 | Confident | 65.3 | Low | 59 Ų | 59 | 65.2 Ų | 65.2 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | trans | -115.5 | 136.3 | 172.4 | 59.1 | 0 | 0 | 0 | 0 | 110.3 | W570 | W570-S572 PolarHBondContact O-N 2.95Š| ||
| 573 | A | 80 | Confident | 66 | Low | 10 Ų | 10 | 64 Ų | 64 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 142.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | K485 R488 L538 S541 | K485-A573 CarbonylContact O-C 3.46Å; K485-A573 WeakPolarHBondContact O-CA 3.45Å; R488-A573 HydrophobicContact CB-CB 3.86Å; L538-A573 HydrophobicContact CD1-CB 4.1Å; S541-A573 VanDerWaalsContact OG-CB 3.27Å; S541-A573 WeakPolarHBondContact OG-CB 3.22Å; S541-A573 PolarHBondContact OG-N 2.93Å |
| 574 | Y | 83.1 | Confident | 66.7 | Low | 73 Ų | 73 | 58 Ų | 58 | 29% | 0.286 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 150.3 | 172.4 | -65.7 | -59.6 | 0 | 0 | 0 | 110.7 | I428 K485 L486 | I428-Y574 HydrophobicContact CG1-CD2 4.37Å; K485-Y574 HydrophobicContact CB-CD2 3.94Å; K485-Y574 HydrophobicContact CB-CE2 3.66Å; K485-Y574 HydrophobicContact CD-CE2 4.18Å; K485-Y574 HydrophobicContact CG-CE2 4.43Å; K485-Y574 VanDerWaalsContact O-CD2 3.29Å; K485-Y574 WeakPolarHBondContact O-CD2 3.48Å; K485-Y574 PolarHBondContact O-N 3.2Å; L486-Y574 HydrophobicContact CD2-CD2 3.88Å; L486-Y574 HydrophobicContact CD2-CE2 4.36Å |
| 575 | S | 77.4 | Confident | 67.5 | Low | 46 Ų | 46 | 58.7 Ų | 58.7 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 142.9 | 171.3 | 53.4 | 0 | 0 | 0 | 0 | 110.4 | C426 Q427 | C426-S575 CarbonylContact C-O 3.49Å; C426-S575 WeakPolarHBondContact CA-O 3.39Å; Q427-S575 PolarHBondContact N-O 2.92Å; Q427-S575 PolarHBondContact OE1-OG 3.41Å |
| 576 | C | 77.9 | Confident | 68.2 | Low | 11 Ų | 11 | 58.4 Ų | 58.4 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -75.9 | 158.9 | 170.2 | -65.8 | 0 | 0 | 0 | 0 | 110.4 | I492 E578 | I492-C576 HydrophobicContact CD1-CB 4.21Å; I492-C576 WeakPolarHBondContact CD1-SG 3.49Å; C576-E578 PolarHBondContact O-N 3.11Å |
| 577 | Q | 76.2 | Confident | 68.7 | Low | 53 Ų | 53 | 61.7 Ų | 61.7 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 134.6 | 168.8 | -67 | -176.9 | -16.4 | 0 | 0 | 110.9 | K424 F425 Q427 S579 L580 I617 | K424-Q577 PolarHBondContact O-NE2 2.92Å; F425-Q577 PolarHBondContact O-N 3.01Å; F425-Q577 VanDerWaalsContact O-N 3.14Å; Q427-Q577 HydrophobicContact CG-CG 4.02Å; Q577-S579 PolarHBondContact O-N 2.95Å; Q577-L580 HydrophobicContact CB-CB 4.4Å; Q577-L580 WeakPolarHBondContact O-CB 3.17Å; Q577-L580 PolarHBondContact O-N 3.47Å; Q577-L580 VanDerWaalsContact O-N 3.12Å; Q577-I617 VanDerWaalsContact OE1-CD1 3.28Å |
| 578 | E | 61.4 | Low | 68.7 | Low | 142 Ų | 142 | 59 Ų | 59 | 66% | 0.664 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -20 | -169.7 | -70.5 | 177.5 | -177.1 | 0 | 0 | 115.4 | C576 | C576-E578 PolarHBondContact O-N 3.11Š|
| 579 | S | 69.1 | Low | 68 | Low | 26 Ų | 26 | 62.9 Ų | 62.9 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | 25.9 | -179.7 | 63.7 | 0 | 0 | 0 | 0 | 114.4 | Q577 I617 I618 | Q577-S579 PolarHBondContact O-N 2.95Å; S579-I617 WeakPolarHBondContact O-CA 3.38Å; S579-I617 WeakPolarHBondContact OG-CG2 3.16Å; S579-I618 VanDerWaalsContact CB-O 3.31Å; S579-I618 WeakPolarHBondContact CB-O 3.31Å; S579-I618 PolarHBondContact O-N 3.17Å; S579-I618 PolarHBondContact OG-O 3.46Å |
| 580 | L | 77.3 | Confident | 67 | Low | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 130 | 175.3 | -173.6 | 142.7 | 0 | 0 | 0 | 111.1 | F425 L453 Q577 F582 V625 | F425-L580 HydrophobicContact CB-CD1 3.6Å; F425-L580 HydrophobicContact CD1-CD1 3.95Å; F425-L580 HydrophobicContact CG-CD1 3.89Å; L453-L580 HydrophobicContact CD1-CD1 4.33Å; Q577-L580 HydrophobicContact CB-CB 4.4Å; Q577-L580 WeakPolarHBondContact O-CB 3.17Å; Q577-L580 PolarHBondContact O-N 3.47Å; Q577-L580 VanDerWaalsContact O-N 3.12Å; L580-F582 HydrophobicContact CD2-CD2 4.23Å; L580-F582 HydrophobicContact CD2-CE2 3.66Å; L580-F582 HydrophobicContact CD2-CZ 3.85Å; L580-V625 WeakPolarHBondContact O-CG2 3.2Å |
| 581 | M | 76.3 | Confident | 65.5 | Low | 45 Ų | 45 | 64.2 Ų | 64.2 | 22% | 0.222 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 139.5 | 174.8 | -176.1 | 172.5 | 74.8 | 0 | 0 | 111.2 | R583 V616 I618 | M581-R583 HydrophobicContact CE-CG 3.46Å; M581-R583 VanDerWaalsContact CE-CG 3.46Å; M581-V616 PolarHBondContact N-O 3.35Å; M581-V616 PolarHBondContact O-N 3.12Å; M581-I618 HydrophobicContact CB-CD1 3.7Å; M581-I618 HydrophobicContact CB-CG1 4.11Å; M581-I618 HydrophobicContact CE-CD1 3.39Å; M581-I618 HydrophobicContact CE-CG1 4.07Å; M581-I618 HydrophobicContact CG-CD1 4.21Å; M581-I618 HydrophobicContact SD-CD1 3.51Å; M581-I618 VanDerWaalsContact SD-CD1 3.51Å |
| 582 | F | 80.6 | Confident | 63.3 | Low | 3 Ų | 3 | 72.3 Ų | 72.3 | 1% | 0.013 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 108.3 | 171.7 | -59.3 | -81 | 0 | 0 | 0 | 108.8 | F425 L459 I492 L493 Q496 L580 Y613 N614 C615 | F425-F582 HydrophobicContact CE2-CE1 4.36Å; L459-F582 HydrophobicContact CD1-CD1 4.15Å; L459-F582 HydrophobicContact CD1-CE1 4.34Å; L459-F582 HydrophobicContact CD2-CE1 4.27Å; I492-F582 HydrophobicContact CB-CE2 4.48Å; I492-F582 HydrophobicContact CG2-CD2 4.41Å; I492-F582 HydrophobicContact CG2-CE2 4.17Å; L493-F582 HydrophobicContact CB-CD2 4.13Å; L493-F582 HydrophobicContact CB-CE2 3.81Å; L493-F582 HydrophobicContact CB-CZ 4.03Å; L493-F582 HydrophobicContact CD1-CB 3.96Å; L493-F582 HydrophobicContact CD1-CD1 3.78Å; L493-F582 HydrophobicContact CD1-CD2 3.89Å; L493-F582 HydrophobicContact CD1-CE1 4.21Å; L493-F582 HydrophobicContact CD1-CE2 4.31Å; L493-F582 HydrophobicContact CD1-CG 3.61Å; L493-F582 HydrophobicContact CD1-CZ 4.45Å; Q496-F582 PolarHBondContact NE2-O 2.97Å; Q496-F582 PolarHBondContact OE1-O 3.02Å; L580-F582 HydrophobicContact CD2-CD2 4.23Å; L580-F582 HydrophobicContact CD2-CE2 3.66Å; L580-F582 HydrophobicContact CD2-CZ 3.85Å; F582-Y613 HydrophobicContact CB-CD1 3.71Å; F582-Y613 HydrophobicContact CB-CE1 4.45Å; F582-Y613 HydrophobicContact CB-CG 4.11Å; F582-N614 CarbonylContact C-O 3.6Å; F582-N614 WeakPolarHBondContact CA-O 3.44Å; F582-C615 HydrophobicContact CD1-CB 3.94Å; F582-C615 HydrophobicContact CE1-CB 3.95Å |
| 583 | R | 73.9 | Confident | 61 | Low | 44 Ų | 44 | 75 Ų | 75 | 17% | 0.166 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 125.9 | 179.4 | -79.6 | -173.4 | -176.6 | -157.6 | -1.8 | 111.1 | D446 T448 T449 M581 Y613 N614 V616 | D446-R583 IonicContact OD2-CZ 3.26Å; D446-R583 IonicContact OD2-NH1 2.91Å; D446-R583 PolarHBondContact OD2-NH1 2.64Å; T448-R583 PolarHBondContact OG1-NH2 2.76Å; T449-R583 VanDerWaalsContact CG2-NH2 3.28Å; M581-R583 HydrophobicContact CE-CG 3.46Å; M581-R583 VanDerWaalsContact CE-CG 3.46Å; R583-Y613 CarbonylContact O-C 3.59Å; R583-Y613 WeakPolarHBondContact O-CA 3.3Å; R583-N614 PolarHBondContact N-O 3.43Å; R583-N614 PolarHBondContact O-N 2.63Å; R583-V616 HydrophobicContact CG-CG2 4.5Å |
| 584 | L | 74.2 | Confident | 58.4 | Low | 8 Ų | 8 | 80 Ų | 80 | 4% | 0.042 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 132.8 | 172.4 | -168.1 | 71.7 | 0 | 0 | 0 | 110.6 | D500 V504 F510 S586 K587 P612 Y613 | D500-L584 HydrophobicContact CB-CD2 4.49Å; V504-L584 HydrophobicContact CG2-CD2 3.92Å; F510-L584 HydrophobicContact CE1-CD1 3.61Å; F510-L584 HydrophobicContact CZ-CD1 3.46Å; F510-L584 VanDerWaalsContact CZ-CD1 3.46Å; F510-L584 HydrophobicContact CZ-CD2 4.12Å; F510-L584 HydrophobicContact CZ-CG 4.44Å; L584-S586 WeakPolarHBondContact CD2-OG 3.46Å; L584-S586 PolarHBondContact O-N 3Å; L584-K587 PolarHBondContact O-N 3.22Å; L584-P612 HydrophobicContact CD1-CB 3.87Å; L584-P612 HydrophobicContact CD1-CG 4.02Å; L584-P612 WeakPolarHBondContact CD1-O 3.49Å; L584-Y613 HydrophobicContact CB-CD1 4.45Å; L584-Y613 HydrophobicContact CB-CE1 4.12Å; L584-Y613 HydrophobicContact CD1-CD1 4.33Å; L584-Y613 HydrophobicContact CD1-CE1 3.84Å; L584-Y613 HydrophobicContact CD1-CE2 4.25Å |
| 585 | L | 69.3 | Low | 55.7 | Low | 61 Ų | 61 | 81.2 Ų | 81.2 | 32% | 0.319 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -57.4 | -33 | -177.4 | -72.9 | 160.4 | 0 | 0 | 0 | 113.2 | H456 K587 V588 P612 | H456-L585 HydrophobicContact CB-CD1 4.29Å; L585-K587 VanDerWaalsContact C-N 3.32Å; L585-K587 PolarHBondContact O-N 3.34Å; L585-V588 PolarHBondContact O-N 3.12Å; L585-P612 WeakPolarHBondContact CG-O 2.97Å; L585-P612 PolarHBondContact N-O 3.3Å |
| 586 | S | 59.7 | Low | 53.4 | Low | 86 Ų | 86 | 84.3 Ų | 84.3 | 60% | 0.601 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -73.1 | -14.5 | -175.7 | 63.6 | 0 | 0 | 0 | 0 | 115.3 | L584 | L584-S586 WeakPolarHBondContact CD2-OG 3.46Å; L584-S586 PolarHBondContact O-N 3Å |
| 587 | K | 50.9 | Low | 51 | Low | 153 Ų | 153 | 87.6 Ų | 87.6 | 67% | 0.665 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -94.2 | -0.8 | 179.4 | -79.7 | 177.4 | 178.9 | 164.3 | 0 | 114 | D500 L584 L585 | D500-K587 IonicContact OD1-NZ 3.33Å; L584-K587 PolarHBondContact O-N 3.22Å; L585-K587 VanDerWaalsContact C-N 3.32Å; L585-K587 PolarHBondContact O-N 3.34Å |
| 588 | V | 41.4 | Very low | 48.8 | Very low | 85 Ų | 85 | 88.9 Ų | 88.9 | 52% | 0.515 | 50% | 0.499 | S | S | . | . | trans | -98.6 | 93.4 | 176 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | L585 P590 | L585-V588 PolarHBondContact O-N 3.12Å; V588-P590 VanDerWaalsContact O-CD 3.25Å; V588-P590 WeakPolarHBondContact O-CD 3.14Å | ||
| 589 | Q | 31 | Very low | 47.4 | Very low | 174 Ų | 174 | 88.8 Ų | 88.8 | 81% | 0.813 | 50% | 0.504 | S | S | * | . | trans | -72.7 | 116.9 | 163.6 | -79.1 | -172.2 | -15.7 | 0 | 0 | 108.5 | I591 | Q589-I591 PolarHBondContact O-N 2.98Š| ||
| 590 | P | 34.2 | Very low | 45.7 | Very low | 116 Ų | 116 | 96.9 Ų | 96.9 | 75% | 0.753 | 54% | 0.539 | S | S | * | . | trans | -82.8 | 113.4 | 161.7 | 29.9 | -19.2 | 0 | 0 | 0 | 107.5 | V588 E592 | V588-P590 VanDerWaalsContact O-CD 3.25Å; V588-P590 WeakPolarHBondContact O-CD 3.14Å; P590-E592 PolarHBondContact O-N 3.02Å | ||
| 591 | I | 30.6 | Very low | 43.6 | Very low | 142 Ų | 142 | 104.7 Ų | 104.7 | 73% | 0.728 | 58% | 0.578 | S | S | * | * | trans | -64.6 | 119.1 | 165.2 | -66.6 | 169.5 | 0 | 0 | 0 | 107 | Q589 | Q589-I591 PolarHBondContact O-N 2.98Š| ||
| 592 | E | 27.8 | Very low | 41.6 | Very low | 181 Ų | 181 | 107.1 Ų | 107.1 | 85% | 0.846 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 59.4 | 92.4 | 161.3 | -63.3 | 177.3 | 179.4 | 0 | 0 | 118 | P590 | P590-E592 PolarHBondContact O-N 3.02Š|
| 593 | S | 28.3 | Very low | 39.4 | Very low | 115 Ų | 115 | 111.7 Ų | 111.7 | 80% | 0.804 | 62% | 0.619 | S | S | * | * | -165 | 120.3 | 126.8 | 57.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 594 | S | 26.7 | Very low | 37.5 | Very low | 114 Ų | 114 | 118.6 Ų | 118.6 | 80% | 0.797 | 65% | 0.65 | S | S | * | * | trans | -56.4 | 142.1 | 166.7 | 48.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 595 | S | 26.1 | Very low | 35.7 | Very low | 100 Ų | 100 | 123 Ų | 123 | 70% | 0.699 | 67% | 0.669 | S | S | * | * | trans | 117 | 133.6 | 160 | 71.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 596 | T | 28.8 | Very low | 34.4 | Very low | 110 Ų | 110 | 127 Ų | 127 | 68% | 0.675 | 69% | 0.686 | S | S | * | * | trans | 85.5 | 71.2 | 174.5 | 66.5 | 0 | 0 | 0 | 0 | 118.6 | L598 | T596-L598 PolarHBondContact O-N 2.84Š| ||
| 597 | S | 28.1 | Very low | 34 | Very low | 80 Ų | 80 | 130.8 Ų | 130.8 | 56% | 0.559 | 70% | 0.699 | S | S | * | * | trans | -81.7 | 80.7 | 156.4 | 45.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 598 | L | 30.2 | Very low | 34.4 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 42% | 0.419 | 68% | 0.683 | S | S | . | * | trans | -142.5 | 2.6 | 173.5 | -136.4 | 95.9 | 0 | 0 | 0 | 117.7 | T596 I1189 L1190 N1191 | T596-L598 PolarHBondContact O-N 2.84Å; L598-I1189 HydrophobicContact CD1-CG2 3.72Å; L598-I1189 HydrophobicContact CD2-CG2 4.08Å; L598-L1190 WeakPolarHBondContact CD1-O 3.29Å; L598-N1191 WeakPolarHBondContact CD1-O 3.42Å | ||
| 599 | D | 31.8 | Very low | 35.7 | Very low | 140 Ų | 140 | 122.5 Ų | 122.5 | 75% | 0.749 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -110 | -8.8 | -175.6 | -77.7 | -26.8 | 0 | 0 | 0 | 115.9 | I601 | D599-I601 PolarHBondContact O-N 3.31Š|
| 600 | E | 32.5 | Very low | 37.9 | Very low | 197 Ų | 197 | 119.2 Ų | 119.2 | 92% | 0.921 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -4.8 | -176.9 | -79.2 | -176.7 | 152 | 0 | 0 | 115.5 | ||
| 601 | I | 34.4 | Very low | 40 | Very low | 164 Ų | 164 | 113.8 Ų | 113.8 | 84% | 0.841 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | -1.1 | -171.4 | -62.8 | 176.5 | 0 | 0 | 0 | 114.2 | D599 | D599-I601 PolarHBondContact O-N 3.31Š|
| 602 | T | 32.9 | Very low | 42.4 | Very low | 97 Ų | 97 | 107.3 Ų | 107.3 | 60% | 0.595 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -107.7 | 4 | -175.4 | 58 | 0 | 0 | 0 | 0 | 117.1 | ||
| 603 | M | 35.9 | Very low | 45 | Very low | 99 Ų | 99 | 98.7 Ų | 98.7 | 49% | 0.488 | 54% | 0.536 | S | S | . | . | trans | -94.9 | 0.2 | -173.5 | -78.6 | -79.8 | 131.5 | 0 | 0 | 116.3 | K605 | M603-K605 VanDerWaalsContact C-N 3.35Å; M603-K605 PolarHBondContact O-N 2.81Å; M603-K605 VanDerWaalsContact O-N 3.15Å | ||
| 604 | K | 33.2 | Very low | 47.6 | Very low | 189 Ų | 189 | 94.6 Ų | 94.6 | 82% | 0.822 | 51% | 0.505 | S | S | * | . | trans | -86.2 | 71.3 | 169.2 | -73.1 | -168.7 | 179.2 | -170.2 | 0 | 111 | ||||
| 605 | K | 36.7 | Very low | 50.2 | Low | 100 Ų | 100 | 89.1 Ų | 89.1 | 44% | 0.435 | 47% | 0.467 | S | S | . | . | trans | -114.4 | 116.8 | 163.5 | -93.5 | -177.5 | 180 | 178.1 | 0 | 109.2 | M370 M603 N607 | M370-K605 HydrophobicContact CE-CB 3.66Å; M370-K605 HydrophobicContact CE-CD 3.94Å; M370-K605 HydrophobicContact CE-CG 4.4Å; M370-K605 PolarHBondContact O-NZ 3.25Å; M603-K605 VanDerWaalsContact C-N 3.35Å; M603-K605 PolarHBondContact O-N 2.81Å; M603-K605 VanDerWaalsContact O-N 3.15Å; K605-N607 PolarHBondContact O-N 2.95Å | ||
| 606 | H | 41.1 | Very low | 52.8 | Low | 146 Ų | 146 | 84.9 Ų | 84.9 | 68% | 0.676 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.6 | 118.9 | -175.2 | -66.7 | -72.2 | 0 | 0 | 0 | 113.1 | ||
| 607 | N | 51.6 | Low | 55.1 | Low | 165 Ų | 165 | 80.8 Ų | 80.8 | 88% | 0.882 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.9 | -8.1 | 166 | -61.6 | -3.5 | 0 | 0 | 0 | 117.3 | K605 | K605-N607 PolarHBondContact O-N 2.95Š|
| 608 | S | 59.3 | Low | 57.2 | Low | 48 Ų | 48 | 77.7 Ų | 77.7 | 34% | 0.336 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -90.5 | 136.4 | 173.8 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | E464 Y610 | E464-S608 WeakPolarHBondContact OE1-CA 3.37Å; E464-S608 WeakPolarHBondContact OE1-CB 3.36Å; S608-Y610 PolarHBondContact O-N 2.78Å |
| 609 | V | 68.1 | Low | 58.8 | Low | 16 Ų | 16 | 78.2 Ų | 78.2 | 10% | 0.097 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 119.6 | -179.5 | 179.7 | 0 | 0 | 0 | 0 | 109 | A460 L463 E464 L513 C516 V611 | A460-V609 VanDerWaalsContact CB-O 3.29Å; A460-V609 WeakPolarHBondContact CB-O 2.97Å; L463-V609 HydrophobicContact CD1-CG1 4.43Å; E464-V609 PolarHBondContact OE1-N 3.48Å; L513-V609 HydrophobicContact CD1-CG1 4.05Å; C516-V609 HydrophobicContact CB-CG1 4.01Å; C516-V609 HydrophobicContact CB-CG2 4.05Å; V609-V611 HydrophobicContact CG1-CG2 4.37Å |
| 610 | Y | 77.6 | Confident | 60.1 | Low | 104 Ų | 104 | 76.8 Ų | 76.8 | 41% | 0.408 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 131 | 174.7 | 179.1 | -100.2 | 0 | 0 | 0 | 110.2 | S608 P612 | S608-Y610 PolarHBondContact O-N 2.78Å; Y610-P612 HydrophobicContact CD1-CB 4.5Å; Y610-P612 HydrophobicContact CE1-CB 3.72Å; Y610-P612 HydrophobicContact CE1-CG 4.19Å |
| 611 | V | 79.6 | Confident | 61.1 | Low | 2 Ų | 2 | 76.8 Ų | 76.8 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | trans | -121.6 | 107.8 | -179.8 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | H456 L459 A460 L463 L513 V609 Y613 | H456-V611 WeakPolarHBondContact CB-O 3.38Å; L459-V611 HydrophobicContact CB-CB 4.36Å; L459-V611 HydrophobicContact CB-CG1 3.82Å; L459-V611 HydrophobicContact CB-CG2 4.4Å; L459-V611 HydrophobicContact CD1-CG1 4.07Å; A460-V611 HydrophobicContact CB-CB 4.39Å; A460-V611 HydrophobicContact CB-CG2 3.8Å; L463-V611 HydrophobicContact CD1-CG2 3.85Å; L513-V611 HydrophobicContact CD1-CG1 4.49Å; L513-V611 HydrophobicContact CD1-CG2 3.82Å; L513-V611 HydrophobicContact CD2-CG1 4.26Å; V609-V611 HydrophobicContact CG1-CG2 4.37Å; V611-Y613 HydrophobicContact CG1-CD2 4.3Å; V611-Y613 PolarHBondContact O-N 3.4Å | ||
| 612 | P | 80.5 | Confident | 61.8 | Low | 6 Ų | 6 | 72.7 Ų | 72.7 | 4% | 0.039 | 36% | 0.355 | C | S | . | . | trans | -81.6 | 25.8 | -178.4 | 29.7 | -32.2 | 0 | 0 | 0 | 114.3 | F510 L584 L585 Y610 | F510-P612 HydrophobicContact CD1-CG 4.07Å; F510-P612 HydrophobicContact CE1-CG 3.67Å; F510-P612 HydrophobicContact CZ-CG 4.11Å; L584-P612 HydrophobicContact CD1-CB 3.87Å; L584-P612 HydrophobicContact CD1-CG 4.02Å; L584-P612 WeakPolarHBondContact CD1-O 3.49Å; L585-P612 WeakPolarHBondContact CG-O 2.97Å; L585-P612 PolarHBondContact N-O 3.3Å; Y610-P612 HydrophobicContact CD1-CB 4.5Å; Y610-P612 HydrophobicContact CE1-CB 3.72Å; Y610-P612 HydrophobicContact CE1-CG 4.19Å | ||
| 613 | Y | 82.4 | Confident | 62.6 | Low | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.2 | -170.4 | -68.3 | -82.5 | 0 | 0 | 0 | 112.7 | H456 L459 L493 Q496 T497 D500 F510 L513 F582 R583 L584 V611 | H456-Y613 WeakPolarHBondContact CA-O 3.17Å; H456-Y613 WeakPolarHBondContact CB-O 3.12Å; H456-Y613 PolarHBondContact N-O 2.7Å; L459-Y613 WeakPolarHBondContact CD1-O 3.37Å; L493-Y613 HydrophobicContact CD1-CD2 3.98Å; L493-Y613 HydrophobicContact CD1-CE2 4.45Å; L493-Y613 HydrophobicContact CD1-CG 4.1Å; Q496-Y613 HydrophobicContact CG-CE1 4.16Å; T497-Y613 WeakPolarHBondContact CA-OH 3.39Å; T497-Y613 HydrophobicContact CG2-CD2 4.4Å; T497-Y613 HydrophobicContact CG2-CE2 3.56Å; D500-Y613 WeakPolarHBondContact CB-OH 3.4Å; D500-Y613 VanDerWaalsContact OD2-CE1 3.3Å; D500-Y613 WeakPolarHBondContact OD2-CE1 3.28Å; D500-Y613 PolarHBondContact OD2-OH 3.35Å; F510-Y613 HydrophobicContact CD1-CE2 4.39Å; F510-Y613 HydrophobicContact CE1-CE2 4Å; F510-Y613 AromaticContact CE1-CZ 3.98Å; F510-Y613 WeakPolarHBondContact CE1-OH 3.25Å; L513-Y613 HydrophobicContact CD2-CD2 3.84Å; L513-Y613 HydrophobicContact CD2-CE2 3.86Å; F582-Y613 HydrophobicContact CB-CD1 3.71Å; F582-Y613 HydrophobicContact CB-CE1 4.45Å; F582-Y613 HydrophobicContact CB-CG 4.11Å; R583-Y613 CarbonylContact O-C 3.59Å; R583-Y613 WeakPolarHBondContact O-CA 3.3Å; L584-Y613 HydrophobicContact CB-CD1 4.45Å; L584-Y613 HydrophobicContact CB-CE1 4.12Å; L584-Y613 HydrophobicContact CD1-CD1 4.33Å; L584-Y613 HydrophobicContact CD1-CE1 3.84Å; L584-Y613 HydrophobicContact CD1-CE2 4.25Å; V611-Y613 HydrophobicContact CG1-CD2 4.3Å; V611-Y613 PolarHBondContact O-N 3.4Å |
| 614 | N | 82.5 | Confident | 63.3 | Low | 29 Ų | 29 | 68.9 Ų | 68.9 | 16% | 0.155 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 138.2 | 160.8 | -70.2 | -28.4 | 0 | 0 | 0 | 109.1 | H456 F582 R583 V616 | H456-N614 PolarHBondContact N-OD1 3.18Å; F582-N614 CarbonylContact C-O 3.6Å; F582-N614 WeakPolarHBondContact CA-O 3.44Å; R583-N614 PolarHBondContact N-O 3.43Å; R583-N614 PolarHBondContact O-N 2.63Å; N614-V616 HydrophobicContact CB-CG2 4.4Å |
| 615 | C | 81.4 | Confident | 64 | Low | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 123.9 | 175.1 | -170.7 | 0 | 0 | 0 | 0 | 110 | F425 L453 A454 L459 F582 | F425-C615 HydrophobicContact CE1-CB 3.9Å; F425-C615 WeakPolarHBondContact CE1-SG 3.22Å; F425-C615 HydrophobicContact CZ-CB 3.85Å; L453-C615 HydrophobicContact CB-CB 4.46Å; L453-C615 PolarHBondContact N-O 3.09Å; A454-C615 HydrophobicContact CB-CB 3.85Å; A454-C615 PolarHBondContact N-O 3.2Å; A454-C615 PolarHBondContact O-N 2.74Å; L459-C615 HydrophobicContact CD1-CB 4.41Å; F582-C615 HydrophobicContact CD1-CB 3.94Å; F582-C615 HydrophobicContact CE1-CB 3.95Å |
| 616 | V | 81.1 | Confident | 64.4 | Low | 10 Ų | 10 | 60.4 Ų | 60.4 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 147.2 | -173.6 | -172.6 | 0 | 0 | 0 | 0 | 110.6 | T449 C451 Q452 M581 R583 N614 | T449-V616 HydrophobicContact CG2-CG1 3.6Å; C451-V616 WeakPolarHBondContact O-CA 3.42Å; C451-V616 WeakPolarHBondContact O-CG1 3.46Å; Q452-V616 HydrophobicContact CB-CG2 4.5Å; Q452-V616 HydrophobicContact CG-CG2 4.38Å; M581-V616 PolarHBondContact N-O 3.35Å; M581-V616 PolarHBondContact O-N 3.12Å; R583-V616 HydrophobicContact CG-CG2 4.5Å; N614-V616 HydrophobicContact CB-CG2 4.4Å |
| 617 | I | 76.3 | Confident | 65 | Low | 25 Ų | 25 | 54.4 Ų | 54.4 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.3 | 168.5 | -61.4 | 175.2 | 0 | 0 | 0 | 108.4 | K450 C451 L453 Q577 S579 | K450-I617 HydrophobicContact CB-CB 4.3Å; K450-I617 HydrophobicContact CB-CG2 4.01Å; K450-I617 WeakPolarHBondContact CB-O 3.29Å; K450-I617 HydrophobicContact CD-CG2 4.18Å; K450-I617 PolarHBondContact N-O 3.24Å; C451-I617 PolarHBondContact N-O 3.39Å; C451-I617 PolarHBondContact O-N 3.34Å; L453-I617 HydrophobicContact CD1-CD1 3.81Å; L453-I617 HydrophobicContact CD1-CG1 3.64Å; L453-I617 HydrophobicContact CD2-CD1 3.84Å; L453-I617 HydrophobicContact CD2-CG1 4.38Å; L453-I617 HydrophobicContact CG-CD1 3.88Å; L453-I617 HydrophobicContact CG-CG1 3.84Å; Q577-I617 VanDerWaalsContact OE1-CD1 3.28Å; S579-I617 WeakPolarHBondContact O-CA 3.38Å; S579-I617 WeakPolarHBondContact OG-CG2 3.16Å |
| 618 | I | 73.5 | Confident | 65 | Low | 14 Ų | 14 | 53.3 Ų | 53.3 | 7% | 0.072 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 149.3 | 179.4 | -44.6 | 176.4 | 0 | 0 | 0 | 110.4 | T448 S579 M581 E620 | T448-I618 WeakPolarHBondContact O-CG2 3.49Å; S579-I618 VanDerWaalsContact CB-O 3.31Å; S579-I618 WeakPolarHBondContact CB-O 3.31Å; S579-I618 PolarHBondContact O-N 3.17Å; S579-I618 PolarHBondContact OG-O 3.46Å; M581-I618 HydrophobicContact CB-CD1 3.7Å; M581-I618 HydrophobicContact CB-CG1 4.11Å; M581-I618 HydrophobicContact CE-CD1 3.39Å; M581-I618 HydrophobicContact CE-CG1 4.07Å; M581-I618 HydrophobicContact CG-CD1 4.21Å; M581-I618 HydrophobicContact SD-CD1 3.51Å; M581-I618 VanDerWaalsContact SD-CD1 3.51Å; I618-E620 HydrophobicContact CG2-CB 4.47Å |
| 619 | N | 62 | Low | 64.8 | Low | 91 Ų | 91 | 59.1 Ų | 59.1 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -74.2 | -26.1 | 175.4 | -78.7 | -31.9 | 0 | 0 | 0 | 113.6 | F447 T448 T449 K450 | F447-N619 PolarHBondContact O-ND2 3.41Å; T448-N619 PolarHBondContact O-N 3.32Å; T449-N619 PolarHBondContact O-ND2 2.95Å; K450-N619 WeakPolarHBondContact CA-OD1 3.4Å; K450-N619 WeakPolarHBondContact CB-OD1 3.19Å; K450-N619 WeakPolarHBondContact CG-OD1 3.47Å |
| 620 | E | 59.1 | Low | 64.6 | Low | 110 Ų | 110 | 60.3 Ų | 60.3 | 51% | 0.514 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -92.1 | 135.7 | -176.5 | -63.9 | -174.4 | 163.3 | 0 | 0 | 111.7 | I618 I622 | I618-E620 HydrophobicContact CG2-CB 4.47Å; E620-I622 HydrophobicContact CB-CD1 4.21Å; E620-I622 HydrophobicContact CB-CG1 4.05Å; E620-I622 PolarHBondContact O-N 3.31Å; E620-I622 WeakPolarHBondContact OE2-CD1 3.3Å |
| 621 | K | 54.4 | Low | 64.6 | Low | 197 Ų | 197 | 56.5 Ų | 56.5 | 86% | 0.857 | 29% | 0.293 | S | S | * | . | trans | -74.3 | 50.8 | 171.4 | -70 | -171.2 | 173.9 | -168.1 | 0 | 111.5 | ||||
| 622 | I | 49.8 | Very low | 64.6 | Low | 78 Ų | 78 | 60.7 Ų | 60.7 | 40% | 0.4 | 32% | 0.322 | S | S | . | . | trans | -77.7 | 126 | 166.2 | -57.4 | 169.4 | 0 | 0 | 0 | 105.3 | E620 T624 | E620-I622 HydrophobicContact CB-CD1 4.21Å; E620-I622 HydrophobicContact CB-CG1 4.05Å; E620-I622 PolarHBondContact O-N 3.31Å; E620-I622 WeakPolarHBondContact OE2-CD1 3.3Å; I622-T624 HydrophobicContact CB-CG2 3.9Å; I622-T624 HydrophobicContact CG2-CG2 3.55Å; I622-T624 PolarHBondContact O-N 3.32Å | ||
| 623 | P | 49.6 | Very low | 64.6 | Low | 87 Ų | 87 | 60.8 Ų | 60.8 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | trans | -74.8 | 73.8 | -179.7 | 31.4 | -32.5 | 0 | 0 | 0 | 108.3 | V625 G627 | P623-V625 VanDerWaalsContact C-N 3.33Å; P623-G627 WeakPolarHBondContact O-CA 3.22Å; P623-G627 PolarHBondContact O-N 3.31Å | ||
| 624 | T | 49.4 | Very low | 64.6 | Low | 30 Ų | 30 | 61.7 Ų | 61.7 | 18% | 0.184 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -14.4 | -174.3 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | I622 N630 | I622-T624 HydrophobicContact CB-CG2 3.9Å; I622-T624 HydrophobicContact CG2-CG2 3.55Å; I622-T624 PolarHBondContact O-N 3.32Å; T624-N630 PolarHBondContact O-ND2 3.21Å |
| 625 | V | 48 | Very low | 64.8 | Low | 30 Ų | 30 | 61.1 Ų | 61.1 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -20.7 | 178 | 179.7 | 0 | 0 | 0 | 0 | 112.8 | I492 L580 P623 | I492-V625 HydrophobicContact CD1-CG1 3.31Å; I492-V625 HydrophobicContact CG1-CG1 3.93Å; I492-V625 HydrophobicContact CG2-CG1 4.5Å; L580-V625 WeakPolarHBondContact O-CG2 3.2Å; P623-V625 VanDerWaalsContact C-N 3.33Å |
| 626 | N | 45.7 | Very low | 64.9 | Low | 81 Ų | 81 | 65.2 Ų | 65.2 | 43% | 0.433 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -0.1 | 178.7 | -63.7 | -18.9 | 0 | 0 | 0 | 113.4 | R488 N544 | R488-N626 PolarHBondContact NH2-OD1 3.35Å; R488-N626 VanDerWaalsContact NH2-OD1 3.13Å; N544-N626 PolarHBondContact ND2-ND2 2.95Å; N544-N626 VanDerWaalsContact ND2-ND2 3.14Å; N544-N626 PolarHBondContact ND2-OD1 3.38Å |
| 627 | G | 52.9 | Low | 65.1 | Low | 19 Ų | 19 | 64.8 Ų | 64.8 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -73 | 143.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P623 Q629 N630 | P623-G627 WeakPolarHBondContact O-CA 3.22Å; P623-G627 PolarHBondContact O-N 3.31Å; G627-Q629 PolarHBondContact O-N 3.5Å; G627-N630 PolarHBondContact O-N 3.39Å; G627-N630 VanDerWaalsContact O-N 3.08Å |
| 628 | I | 51.3 | Low | 65.7 | Low | 143 Ų | 143 | 63.7 Ų | 63.7 | 73% | 0.733 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -47.4 | -26.4 | 176.7 | -63.6 | 164.9 | 0 | 0 | 0 | 112.8 | N630 L631 | I628-N630 PolarHBondContact O-N 3.49Å; I628-L631 VanDerWaalsContact O-CB 3.28Å; I628-L631 WeakPolarHBondContact O-CB 3.36Å; I628-L631 PolarHBondContact O-N 2.84Å |
| 629 | Q | 54.9 | Low | 66.2 | Low | 170 Ų | 170 | 64.1 Ų | 64.1 | 79% | 0.794 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -63 | -37.7 | -179.3 | -66.1 | 178.8 | -13.4 | 0 | 0 | 113.5 | G627 | G627-Q629 PolarHBondContact O-N 3.5Š|
| 630 | N | 64.1 | Low | 67.3 | Low | 41 Ų | 41 | 61.3 Ų | 61.3 | 22% | 0.219 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -96.6 | 2.7 | -179.4 | -65.3 | 5 | 0 | 0 | 0 | 112.3 | E499 T624 G627 I628 S632 S633 S634 | E499-N630 PolarHBondContact OE2-OD1 2.83Å; T624-N630 PolarHBondContact O-ND2 3.21Å; G627-N630 PolarHBondContact O-N 3.39Å; G627-N630 VanDerWaalsContact O-N 3.08Å; I628-N630 PolarHBondContact O-N 3.49Å; N630-S632 VanDerWaalsContact C-N 3.33Å; N630-S633 PolarHBondContact O-OG 3.37Å; N630-S634 WeakPolarHBondContact O-CB 3.38Å; N630-S634 PolarHBondContact O-N 2.93Å; N630-S634 PolarHBondContact O-OG 3.23Å |
| 631 | L | 77.4 | Confident | 68.5 | Low | 23 Ų | 23 | 56.1 Ų | 56.1 | 12% | 0.12 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.2 | -37.6 | -178.9 | -172.5 | 64.1 | 0 | 0 | 0 | 110.9 | F543 I628 S634 I635 V723 L726 | F543-L631 HydrophobicContact CD1-CD1 4.3Å; F543-L631 HydrophobicContact CE1-CD1 4.34Å; I628-L631 VanDerWaalsContact O-CB 3.28Å; I628-L631 WeakPolarHBondContact O-CB 3.36Å; I628-L631 PolarHBondContact O-N 2.84Å; L631-S634 PolarHBondContact O-N 2.96Å; L631-I635 HydrophobicContact CD1-CD1 4.21Å; L631-I635 HydrophobicContact CD1-CG1 4.34Å; L631-I635 HydrophobicContact CD2-CD1 4.4Å; L631-I635 HydrophobicContact CG-CD1 3.78Å; L631-I635 HydrophobicContact CG-CG1 4.32Å; L631-I635 WeakPolarHBondContact O-CB 3.31Å; L631-I635 WeakPolarHBondContact O-CG1 3.5Å; L631-I635 PolarHBondContact O-N 3.43Å; L631-V723 HydrophobicContact CD1-CG1 4.13Å; L631-V723 HydrophobicContact CD1-CG2 4.11Å; L631-V723 HydrophobicContact CD2-CG2 4.04Å; L631-L726 HydrophobicContact CD2-CD1 3.46Å; L631-L726 VanDerWaalsContact CD2-CD1 3.46Å |
| 632 | S | 79.9 | Confident | 69.8 | Low | 90 Ų | 90 | 46.8 Ų | 46.8 | 63% | 0.629 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61 | -49.8 | 177.5 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | N630 S634 I635 K636 | N630-S632 VanDerWaalsContact C-N 3.33Å; S632-S634 PolarHBondContact O-N 3.24Å; S632-I635 PolarHBondContact O-N 3.01Å; S632-K636 WeakPolarHBondContact O-CB 3.32Å; S632-K636 PolarHBondContact O-N 2.84Å |
| 633 | S | 80.5 | Confident | 71.2 | Confident | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 178.4 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | A495 E499 N630 S637 | A495-S633 WeakPolarHBondContact O-CB 3.46Å; E499-S633 PolarHBondContact OE2-OG 3.29Å; E499-S633 VanDerWaalsContact OE2-OG 3.1Å; N630-S633 PolarHBondContact O-OG 3.37Å; S633-S637 WeakPolarHBondContact O-CB 3.44Å; S633-S637 PolarHBondContact O-N 3.45Å; S633-S637 PolarHBondContact O-OG 3.36Å |
| 634 | S | 84 | Confident | 72.4 | Confident | 19 Ų | 19 | 47.4 Ų | 47.4 | 13% | 0.133 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 172.8 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | F491 N630 L631 S632 S637 L638 | F491-S634 WeakPolarHBondContact CZ-O 3.32Å; N630-S634 WeakPolarHBondContact O-CB 3.38Å; N630-S634 PolarHBondContact O-N 2.93Å; N630-S634 PolarHBondContact O-OG 3.23Å; L631-S634 PolarHBondContact O-N 2.96Å; S632-S634 PolarHBondContact O-N 3.24Å; S634-S637 WeakPolarHBondContact O-CB 3.34Å; S634-S637 PolarHBondContact O-N 2.9Å; S634-L638 PolarHBondContact O-N 3.48Å |
| 635 | I | 85.1 | Confident | 73.5 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.2 | -46.2 | 176 | -70.4 | 169.6 | 0 | 0 | 0 | 110.4 | F543 L631 S632 S637 L638 V639 L726 I727 A730 | F543-I635 HydrophobicContact CE1-CG1 4.24Å; L631-I635 HydrophobicContact CD1-CD1 4.21Å; L631-I635 HydrophobicContact CD1-CG1 4.34Å; L631-I635 HydrophobicContact CD2-CD1 4.4Å; L631-I635 HydrophobicContact CG-CD1 3.78Å; L631-I635 HydrophobicContact CG-CG1 4.32Å; L631-I635 WeakPolarHBondContact O-CB 3.31Å; L631-I635 WeakPolarHBondContact O-CG1 3.5Å; L631-I635 PolarHBondContact O-N 3.43Å; S632-I635 PolarHBondContact O-N 3.01Å; I635-S637 PolarHBondContact O-N 3.29Å; I635-L638 PolarHBondContact O-N 3.17Å; I635-L638 VanDerWaalsContact O-N 3.15Å; I635-V639 HydrophobicContact CG2-CG2 4.42Å; I635-V639 WeakPolarHBondContact O-CG2 3.38Å; I635-V639 PolarHBondContact O-N 3.22Å; I635-L726 HydrophobicContact CD1-CB 3.7Å; I635-I727 HydrophobicContact CD1-CG1 4.18Å; I635-I727 HydrophobicContact CG1-CG1 3.86Å; I635-A730 HydrophobicContact CG2-CB 3.26Å |
| 636 | K | 84.2 | Confident | 74.5 | Confident | 87 Ų | 87 | 45.1 Ų | 45.1 | 38% | 0.378 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.9 | -39.4 | 174.1 | -171.5 | 172.8 | 170.4 | -171.7 | 0 | 111.1 | I498 D502 S632 T640 | I498-K636 HydrophobicContact CG2-CD 3.61Å; I498-K636 HydrophobicContact CG2-CG 4.04Å; D502-K636 IonicContact OD1-NZ 2.74Å; D502-K636 PolarHBondContact OD1-NZ 3.06Å; D502-K636 IonicContact OD2-NZ 2.63Å; D502-K636 PolarHBondContact OD2-NZ 2.88Å; S632-K636 WeakPolarHBondContact O-CB 3.32Å; S632-K636 PolarHBondContact O-N 2.84Å; K636-T640 WeakPolarHBondContact O-CB 3.39Å; K636-T640 PolarHBondContact O-N 3.35Å; K636-T640 PolarHBondContact O-OG1 3.32Å |
| 637 | S | 85.7 | Confident | 75.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.1 | -48.1 | 174.3 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | A495 I498 S633 S634 I635 T640 L641 | A495-S637 WeakPolarHBondContact CA-OG 3.39Å; A495-S637 PolarHBondContact N-OG 3.27Å; I498-S637 WeakPolarHBondContact CD1-OG 3.25Å; S633-S637 WeakPolarHBondContact O-CB 3.44Å; S633-S637 PolarHBondContact O-N 3.45Å; S633-S637 PolarHBondContact O-OG 3.36Å; S634-S637 WeakPolarHBondContact O-CB 3.34Å; S634-S637 PolarHBondContact O-N 2.9Å; I635-S637 PolarHBondContact O-N 3.29Å; S637-T640 WeakPolarHBondContact O-CB 3.45Å; S637-T640 PolarHBondContact O-N 2.96Å; S637-L641 WeakPolarHBondContact O-CG 3.4Å; S637-L641 PolarHBondContact O-N 2.92Å |
| 638 | L | 87.7 | Confident | 75.2 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 178 | 174.1 | 66.6 | 0 | 0 | 0 | 111.3 | F491 I539 F543 S634 I635 T640 L641 L642 L686 I727 | F491-L638 HydrophobicContact CE2-CB 4.45Å; F491-L638 HydrophobicContact CZ-CB 4.47Å; I539-L638 HydrophobicContact CG2-CD1 3.57Å; F543-L638 HydrophobicContact CE2-CB 3.93Å; F543-L638 HydrophobicContact CE2-CD1 4.25Å; F543-L638 HydrophobicContact CE2-CD2 3.6Å; F543-L638 HydrophobicContact CE2-CG 4.12Å; F543-L638 HydrophobicContact CZ-CB 3.78Å; F543-L638 HydrophobicContact CZ-CD2 3.82Å; F543-L638 HydrophobicContact CZ-CG 4.34Å; S634-L638 PolarHBondContact O-N 3.48Å; I635-L638 PolarHBondContact O-N 3.17Å; I635-L638 VanDerWaalsContact O-N 3.15Å; L638-T640 VanDerWaalsContact C-N 3.29Å; L638-T640 PolarHBondContact O-N 3.46Å; L638-L641 PolarHBondContact O-N 3.06Å; L638-L642 HydrophobicContact CD1-CD1 4.15Å; L638-L642 HydrophobicContact CD1-CG 4.16Å; L638-L642 HydrophobicContact CG-CD1 4Å; L638-L642 HydrophobicContact CG-CG 4.39Å; L638-L642 WeakPolarHBondContact O-CG 3.32Å; L638-L642 PolarHBondContact O-N 3.34Å; L638-L686 HydrophobicContact CD2-CD2 4.27Å; L638-I727 HydrophobicContact CD2-CG2 3.67Å |
| 639 | V | 84.3 | Confident | 75 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.6 | -45.2 | 176.9 | 164.5 | 0 | 0 | 0 | 0 | 110.8 | I635 L641 L642 F643 A730 S734 | I635-V639 HydrophobicContact CG2-CG2 4.42Å; I635-V639 WeakPolarHBondContact O-CG2 3.38Å; I635-V639 PolarHBondContact O-N 3.22Å; V639-L641 PolarHBondContact O-N 3.24Å; V639-L642 PolarHBondContact O-N 2.98Å; V639-F643 WeakPolarHBondContact O-CB 3.33Å; V639-F643 PolarHBondContact O-N 3.48Å; V639-A730 HydrophobicContact CG2-CB 4.21Å; V639-S734 WeakPolarHBondContact CG1-OG 3.49Å |
| 640 | T | 84.4 | Confident | 74.7 | Confident | 32 Ų | 32 | 33.9 Ų | 33.9 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -48.1 | 176.5 | -57.2 | 0 | 0 | 0 | 0 | 110.7 | I518 K636 S637 L638 L642 F643 F644 | I518-T640 HydrophobicContact CD1-CG2 3.71Å; I518-T640 HydrophobicContact CG1-CG2 4.47Å; K636-T640 WeakPolarHBondContact O-CB 3.39Å; K636-T640 PolarHBondContact O-N 3.35Å; K636-T640 PolarHBondContact O-OG1 3.32Å; S637-T640 WeakPolarHBondContact O-CB 3.45Å; S637-T640 PolarHBondContact O-N 2.96Å; L638-T640 VanDerWaalsContact C-N 3.29Å; L638-T640 PolarHBondContact O-N 3.46Å; T640-L642 PolarHBondContact O-N 3.5Å; T640-F643 WeakPolarHBondContact O-CB 3.15Å; T640-F643 PolarHBondContact O-N 2.97Å; T640-F644 HydrophobicContact CG2-CD2 3.8Å; T640-F644 HydrophobicContact CG2-CE2 3.72Å; T640-F644 VanDerWaalsContact O-CD2 3.24Å; T640-F644 WeakPolarHBondContact O-CD2 3.47Å; T640-F644 PolarHBondContact O-N 2.77Å |
| 641 | L | 84.4 | Confident | 74.1 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60 | -45.5 | 177.5 | -71.2 | 170.5 | 0 | 0 | 0 | 112.3 | F491 L494 I518 L521 W542 S637 L638 V639 F643 F644 M645 | F491-L641 HydrophobicContact CD2-CD1 3.94Å; F491-L641 HydrophobicContact CE2-CD1 4.03Å; L494-L641 HydrophobicContact CD2-CD1 3.99Å; L494-L641 HydrophobicContact CD2-CD2 4.1Å; L494-L641 HydrophobicContact CD2-CG 4.02Å; I518-L641 HydrophobicContact CB-CD2 4.38Å; I518-L641 HydrophobicContact CG1-CD2 4.32Å; I518-L641 HydrophobicContact CG2-CD2 4.31Å; L521-L641 HydrophobicContact CB-CD1 4.24Å; L521-L641 HydrophobicContact CB-CD2 3.72Å; L521-L641 HydrophobicContact CD1-CD1 3.94Å; L521-L641 HydrophobicContact CD1-CD2 4.29Å; W542-L641 HydrophobicContact CH2-CD1 4.34Å; W542-L641 HydrophobicContact CZ3-CD1 3.82Å; S637-L641 WeakPolarHBondContact O-CG 3.4Å; S637-L641 PolarHBondContact O-N 2.92Å; L638-L641 PolarHBondContact O-N 3.06Å; V639-L641 PolarHBondContact O-N 3.24Å; L641-F643 VanDerWaalsContact C-N 3.3Å; L641-F643 PolarHBondContact O-N 3.36Å; L641-F644 PolarHBondContact O-N 3.41Å; L641-M645 WeakPolarHBondContact O-CG 3.23Å; L641-M645 PolarHBondContact O-N 3.34Å |
| 642 | L | 82.4 | Confident | 72.4 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.7 | -39 | 177.4 | -71.2 | 175.1 | 0 | 0 | 0 | 111.5 | I539 L638 V639 T640 M645 S646 H683 L686 M731 L735 | I539-L642 HydrophobicContact CD1-CD2 4.48Å; L638-L642 HydrophobicContact CD1-CD1 4.15Å; L638-L642 HydrophobicContact CD1-CG 4.16Å; L638-L642 HydrophobicContact CG-CD1 4Å; L638-L642 HydrophobicContact CG-CG 4.39Å; L638-L642 WeakPolarHBondContact O-CG 3.32Å; L638-L642 PolarHBondContact O-N 3.34Å; V639-L642 PolarHBondContact O-N 2.98Å; T640-L642 PolarHBondContact O-N 3.5Å; L642-M645 PolarHBondContact O-N 2.92Å; L642-S646 PolarHBondContact O-N 3.14Å; L642-S646 PolarHBondContact O-OG 2.93Å; L642-H683 PolarHBondContact O-NE2 3.45Å; L642-L686 HydrophobicContact CD1-CD2 3.96Å; L642-M731 HydrophobicContact CD1-CE 4.14Å; L642-M731 HydrophobicContact CD1-SD 4.49Å; L642-L735 HydrophobicContact CB-CD1 4.09Å; L642-L735 HydrophobicContact CB-CD2 4.17Å; L642-L735 HydrophobicContact CD1-CD1 3.83Å |
| 643 | F | 78.9 | Confident | 70.5 | Confident | 82 Ų | 82 | 40.2 Ų | 40.2 | 36% | 0.36 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.3 | -43.5 | 174.2 | -171.4 | -95.7 | 0 | 0 | 0 | 111.8 | V639 T640 L641 M645 S646 Q651 | V639-F643 WeakPolarHBondContact O-CB 3.33Å; V639-F643 PolarHBondContact O-N 3.48Å; T640-F643 WeakPolarHBondContact O-CB 3.15Å; T640-F643 PolarHBondContact O-N 2.97Å; L641-F643 VanDerWaalsContact C-N 3.3Å; L641-F643 PolarHBondContact O-N 3.36Å; F643-M645 VanDerWaalsContact C-N 3.31Å; F643-M645 PolarHBondContact O-N 3.5Å; F643-S646 VanDerWaalsContact O-CB 3.27Å; F643-S646 WeakPolarHBondContact O-CB 2.9Å; F643-S646 PolarHBondContact O-N 3.27Å; F643-S646 VanDerWaalsContact O-N 3.09Å; F643-S646 PolarHBondContact O-OG 3.22Å; F643-Q651 HydrophobicContact CD1-CG 4.33Å; F643-Q651 HydrophobicContact CE1-CB 4.15Å; F643-Q651 HydrophobicContact CE1-CG 3.83Å; F643-Q651 HydrophobicContact CZ-CB 4.28Å; F643-Q651 HydrophobicContact CZ-CG 4.16Å; F643-Q651 PolarHBondContact O-NE2 3Å; F643-Q651 VanDerWaalsContact O-NE2 3.09Å |
| 644 | F | 75.1 | Confident | 68.4 | Low | 97 Ų | 97 | 45.9 Ų | 45.9 | 43% | 0.425 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.4 | -27.8 | 176.6 | -84.4 | -76.3 | 0 | 0 | 0 | 114 | I518 T522 T640 L641 S646 Q651 | I518-F644 HydrophobicContact CD1-CD2 4.35Å; I518-F644 HydrophobicContact CD1-CE2 4.02Å; I518-F644 HydrophobicContact CG2-CB 4.05Å; I518-F644 HydrophobicContact CG2-CD1 4.25Å; I518-F644 HydrophobicContact CG2-CD2 3.51Å; I518-F644 HydrophobicContact CG2-CE2 3.98Å; I518-F644 HydrophobicContact CG2-CG 3.67Å; T522-F644 HydrophobicContact CG2-CB 4.45Å; T640-F644 HydrophobicContact CG2-CD2 3.8Å; T640-F644 HydrophobicContact CG2-CE2 3.72Å; T640-F644 VanDerWaalsContact O-CD2 3.24Å; T640-F644 WeakPolarHBondContact O-CD2 3.47Å; T640-F644 PolarHBondContact O-N 2.77Å; L641-F644 PolarHBondContact O-N 3.41Å; F644-S646 PolarHBondContact O-N 3.44Å; F644-Q651 PolarHBondContact O-NE2 2.67Å |
| 645 | M | 73.5 | Confident | 66.2 | Low | 7 Ų | 7 | 46.1 Ų | 46.1 | 3% | 0.034 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.2 | -15.6 | 171.5 | -74.2 | -174.8 | 69 | 0 | 0 | 113.9 | T522 L525 L641 L642 F643 | T522-M645 HydrophobicContact CG2-CG 3.88Å; L525-M645 HydrophobicContact CB-CE 3.64Å; L525-M645 HydrophobicContact CB-SD 3.64Å; L525-M645 HydrophobicContact CD1-CE 4.38Å; L525-M645 HydrophobicContact CD1-SD 3.38Å; L525-M645 WeakPolarHBondContact CD1-SD 3.49Å; L525-M645 HydrophobicContact CG-SD 4.13Å; L641-M645 WeakPolarHBondContact O-CG 3.23Å; L641-M645 PolarHBondContact O-N 3.34Å; L642-M645 PolarHBondContact O-N 2.92Å; F643-M645 VanDerWaalsContact C-N 3.31Å; F643-M645 PolarHBondContact O-N 3.5Å |
| 646 | S | 68.2 | Low | 63.9 | Low | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.028 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -73.7 | 147.1 | -176.8 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | L642 F643 F644 S648 Q651 H683 L738 | L642-S646 PolarHBondContact O-N 3.14Å; L642-S646 PolarHBondContact O-OG 2.93Å; F643-S646 VanDerWaalsContact O-CB 3.27Å; F643-S646 WeakPolarHBondContact O-CB 2.9Å; F643-S646 PolarHBondContact O-N 3.27Å; F643-S646 VanDerWaalsContact O-N 3.09Å; F643-S646 PolarHBondContact O-OG 3.22Å; F644-S646 PolarHBondContact O-N 3.44Å; S646-S648 PolarHBondContact O-N 3.37Å; S646-Q651 PolarHBondContact O-NE2 3.2Å; S646-H683 PolarHBondContact OG-NE2 3.37Å; S646-L738 VanDerWaalsContact OG-CD1 3.31Å; S646-L738 WeakPolarHBondContact OG-CD1 3.24Å |
| 647 | P | 58.7 | Low | 61.9 | Low | 13 Ų | 13 | 54.5 Ų | 54.5 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | trans | -54.3 | 141.6 | 179.4 | -17.6 | 24.6 | 0 | 0 | 0 | 110.9 | S649 F650 I680 | P647-S649 PolarHBondContact O-N 3.43Å; P647-F650 HydrophobicContact CB-CD2 4.14Å; P647-F650 HydrophobicContact CG-CD2 3.97Å; P647-F650 HydrophobicContact CG-CE2 4.28Å; P647-F650 WeakPolarHBondContact O-CB 3.39Å; P647-F650 PolarHBondContact O-N 3.03Å; P647-I680 HydrophobicContact CG-CD1 3.66Å; P647-I680 HydrophobicContact CG-CG1 3.58Å | ||
| 648 | S | 54.2 | Low | 60.1 | Low | 93 Ų | 93 | 56.5 Ų | 56.5 | 65% | 0.65 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -55.1 | -19.4 | -177.3 | 52.8 | 0 | 0 | 0 | 0 | 114.6 | S646 F650 | S646-S648 PolarHBondContact O-N 3.37Å; S648-F650 VanDerWaalsContact C-N 3.26Å; S648-F650 PolarHBondContact O-N 3.44Å |
| 649 | S | 48.2 | Very low | 58 | Low | 53 Ų | 53 | 57.4 Ų | 57.4 | 37% | 0.371 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.3 | -25.5 | 170.8 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | P647 | P647-S649 PolarHBondContact O-N 3.43Å |
| 650 | F | 47.7 | Very low | 56.1 | Low | 19 Ų | 19 | 57.6 Ų | 57.6 | 8% | 0.083 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -90.5 | -26.5 | 179.9 | -75 | -83.3 | 0 | 0 | 0 | 113.2 | P647 S648 N652 H662 L738 | P647-F650 HydrophobicContact CB-CD2 4.14Å; P647-F650 HydrophobicContact CG-CD2 3.97Å; P647-F650 HydrophobicContact CG-CE2 4.28Å; P647-F650 WeakPolarHBondContact O-CB 3.39Å; P647-F650 PolarHBondContact O-N 3.03Å; S648-F650 VanDerWaalsContact C-N 3.26Å; S648-F650 PolarHBondContact O-N 3.44Å; F650-N652 VanDerWaalsContact C-N 3.3Å; F650-N652 PolarHBondContact O-N 3.02Å; F650-H662 AromaticContact CE1-CD2 3.94Å; F650-H662 HydrophobicContact CZ-CB 4.23Å; F650-H662 AromaticContact CZ-CD2 3.5Å; F650-H662 VanDerWaalsContact CZ-CD2 3.5Å; F650-H662 WeakPolarHBondContact CZ-CD2 3.25Å; F650-L738 HydrophobicContact CD1-CD2 4.04Å; F650-L738 HydrophobicContact CD2-CD2 4.32Å; F650-L738 HydrophobicContact CE1-CD2 4.28Å; F650-L738 HydrophobicContact CG-CD2 4.07Å |
| 651 | Q | 51.5 | Low | 54.2 | Low | 66 Ų | 66 | 61.4 Ų | 61.4 | 31% | 0.308 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.6 | -19.3 | -176.3 | -67.8 | 175.9 | -6 | 0 | 0 | 114.1 | F643 F644 S646 | F643-Q651 HydrophobicContact CD1-CG 4.33Å; F643-Q651 HydrophobicContact CE1-CB 4.15Å; F643-Q651 HydrophobicContact CE1-CG 3.83Å; F643-Q651 HydrophobicContact CZ-CB 4.28Å; F643-Q651 HydrophobicContact CZ-CG 4.16Å; F643-Q651 PolarHBondContact O-NE2 3Å; F643-Q651 VanDerWaalsContact O-NE2 3.09Å; F644-Q651 PolarHBondContact O-NE2 2.67Å; S646-Q651 PolarHBondContact O-NE2 3.2Å |
| 652 | N | 42.6 | Very low | 52.4 | Low | 118 Ų | 118 | 61.7 Ų | 61.7 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -3.8 | -172 | -81 | -21 | 0 | 0 | 0 | 115.8 | F650 | F650-N652 VanDerWaalsContact C-N 3.3Å; F650-N652 PolarHBondContact O-N 3.02Å |
| 653 | N | 38.6 | Very low | 50.6 | Low | 102 Ų | 102 | 63 Ų | 63 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | trans | -126.2 | 97.9 | -172.5 | -77.8 | -31.7 | 0 | 0 | 0 | 113 | S655 Q658 | N653-S655 PolarHBondContact O-N 2.87Å; N653-S655 VanDerWaalsContact O-N 3.08Å; N653-Q658 PolarHBondContact O-NE2 3.49Å | ||
| 654 | S | 36.4 | Very low | 49.2 | Very low | 128 Ų | 128 | 64.7 Ų | 64.7 | 90% | 0.895 | 35% | 0.354 | S | S | * | . | trans | -80.5 | 47.8 | 172.6 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 655 | S | 37.7 | Very low | 48 | Very low | 24 Ų | 24 | 60.7 Ų | 60.7 | 17% | 0.168 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -142.8 | 142.4 | 179.7 | 69.1 | 0 | 0 | 0 | 0 | 115.3 | N653 K657 Y878 | N653-S655 PolarHBondContact O-N 2.87Å; N653-S655 VanDerWaalsContact O-N 3.08Å; S655-K657 PolarHBondContact O-N 3.48Å; S655-Y878 WeakPolarHBondContact CB-OH 3.47Å; S655-Y878 PolarHBondContact OG-OH 3.41Å; S655-Y878 VanDerWaalsContact OG-OH 3.08Å |
| 656 | N | 38.5 | Very low | 46.8 | Very low | 156 Ų | 156 | 63 Ų | 63 | 83% | 0.834 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -57.7 | 37.6 | -172.8 | -69.9 | -12.5 | 0 | 0 | 0 | 117.1 | ||
| 657 | K | 41.6 | Very low | 45.8 | Very low | 123 Ų | 123 | 66.6 Ų | 66.6 | 54% | 0.535 | 37% | 0.367 | S | S | . | . | trans | -112.9 | 19 | 172.3 | -74 | -175 | 177.3 | 175.7 | 0 | 113.1 | S655 | S655-K657 PolarHBondContact O-N 3.48Š| ||
| 658 | Q | 46.5 | Very low | 45 | Very low | 42 Ų | 42 | 70.3 Ų | 70.3 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | trans | -78.6 | -34.8 | -167.1 | -76.6 | 170.8 | -1.7 | 0 | 0 | 113.1 | N653 G660 H661 D737 | N653-Q658 PolarHBondContact O-NE2 3.49Å; Q658-G660 VanDerWaalsContact C-N 3.33Å; Q658-G660 PolarHBondContact O-N 2.75Å; Q658-H661 PolarHBondContact O-N 3.07Å; Q658-D737 WeakPolarHBondContact CA-OD2 3.46Å; Q658-D737 HydrophobicContact CB-CB 3.95Å; Q658-D737 WeakPolarHBondContact CB-OD2 3.47Å | ||
| 659 | V | 43.9 | Very low | 44.4 | Very low | 23 Ų | 23 | 74.8 Ų | 74.8 | 14% | 0.139 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -55.5 | -40.9 | 179.3 | -174.2 | 0 | 0 | 0 | 0 | 113.6 | H661 L663 D737 K791 T795 | V659-H661 PolarHBondContact O-N 2.99Å; V659-L663 HydrophobicContact CG1-CD1 4.18Å; V659-D737 VanDerWaalsContact CG2-OD2 3.24Å; V659-D737 WeakPolarHBondContact CG2-OD2 3.3Å; V659-D737 PolarHBondContact N-OD2 2.93Å; V659-K791 HydrophobicContact CG2-CD 3.99Å; V659-T795 HydrophobicContact CB-CG2 4.06Å; V659-T795 HydrophobicContact CG1-CG2 3.89Å |
| 660 | G | 44.4 | Very low | 44 | Very low | 26 Ų | 26 | 79.1 Ų | 79.1 | 27% | 0.268 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -74.1 | -25 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q658 H664 | Q658-G660 VanDerWaalsContact C-N 3.33Å; Q658-G660 PolarHBondContact O-N 2.75Å; G660-H664 WeakPolarHBondContact O-CB 3.33Å |
| 661 | H | 45.7 | Very low | 43.7 | Very low | 111 Ų | 111 | 87.6 Ų | 87.6 | 51% | 0.514 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -85.9 | -30.6 | -178.9 | -140.4 | 65.6 | 0 | 0 | 0 | 112.1 | Q658 V659 H664 I665 | Q658-H661 PolarHBondContact O-N 3.07Å; V659-H661 PolarHBondContact O-N 2.99Å; H661-H664 PolarHBondContact O-N 2.99Å; H661-I665 WeakPolarHBondContact O-CG1 3.42Å; H661-I665 PolarHBondContact O-N 3.12Å |
| 662 | H | 45.1 | Very low | 43.1 | Very low | 8 Ų | 8 | 89.7 Ų | 89.7 | 4% | 0.037 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -69.8 | -45.2 | -179.7 | -148.4 | -77.1 | 0 | 0 | 0 | 112.3 | F650 H664 I665 L666 I680 | F650-H662 AromaticContact CE1-CD2 3.94Å; F650-H662 HydrophobicContact CZ-CB 4.23Å; F650-H662 AromaticContact CZ-CD2 3.5Å; F650-H662 VanDerWaalsContact CZ-CD2 3.5Å; F650-H662 WeakPolarHBondContact CZ-CD2 3.25Å; H662-H664 VanDerWaalsContact C-N 3.35Å; H662-I665 PolarHBondContact O-N 3.46Å; H662-L666 PolarHBondContact O-N 2.71Å; H662-I680 WeakPolarHBondContact CE1-CG2 3.24Å; H662-I680 WeakPolarHBondContact NE2-CG2 3.4Å |
| 663 | L | 46.4 | Very low | 43.2 | Very low | 27 Ų | 27 | 88.2 Ų | 88.2 | 14% | 0.141 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 170.8 | -92.2 | 128.1 | 0 | 0 | 0 | 111.1 | V659 I665 L666 I667 E799 I800 | V659-L663 HydrophobicContact CG1-CD1 4.18Å; L663-I665 VanDerWaalsContact C-N 3.28Å; L663-I665 PolarHBondContact O-N 3.14Å; L663-L666 PolarHBondContact O-N 3.45Å; L663-I667 HydrophobicContact CB-CD1 4.13Å; L663-I667 HydrophobicContact CD2-CD1 4.1Å; L663-I667 WeakPolarHBondContact O-CD1 3.45Å; L663-I667 WeakPolarHBondContact O-CG1 3.4Å; L663-I667 PolarHBondContact O-N 2.93Å; L663-I667 VanDerWaalsContact O-N 3.09Å; L663-E799 HydrophobicContact CD2-CB 4.41Å; L663-I800 HydrophobicContact CD1-CD1 4.08Å; L663-I800 HydrophobicContact CD1-CG1 4.36Å |
| 664 | H | 47.7 | Very low | 43.7 | Very low | 118 Ų | 118 | 90.9 Ų | 90.9 | 55% | 0.546 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.1 | -30.7 | 180 | -121.7 | -61.3 | 0 | 0 | 0 | 114.1 | G660 H661 H662 D668 | G660-H664 WeakPolarHBondContact O-CB 3.33Å; H661-H664 PolarHBondContact O-N 2.99Å; H662-H664 VanDerWaalsContact C-N 3.35Å; H664-D668 WeakPolarHBondContact O-CB 3.22Å; H664-D668 PolarHBondContact O-N 3.34Å |
| 665 | I | 50.4 | Low | 44.2 | Very low | 13 Ų | 13 | 90 Ų | 90 | 7% | 0.067 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -77.5 | -35.1 | 177.6 | -69.1 | 168.1 | 0 | 0 | 0 | 111.7 | H661 H662 L663 I677 I680 | H661-I665 WeakPolarHBondContact O-CG1 3.42Å; H661-I665 PolarHBondContact O-N 3.12Å; H662-I665 PolarHBondContact O-N 3.46Å; L663-I665 VanDerWaalsContact C-N 3.28Å; L663-I665 PolarHBondContact O-N 3.14Å; I665-I677 HydrophobicContact CG2-CG1 4.25Å; I665-I680 HydrophobicContact CD1-CD1 4.39Å; I665-I680 HydrophobicContact CG2-CD1 3.84Å |
| 666 | L | 48.7 | Very low | 44.8 | Very low | 55 Ų | 55 | 92.9 Ų | 92.9 | 29% | 0.288 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -71.5 | -31.5 | 177.3 | -75.3 | 167.1 | 0 | 0 | 0 | 112.6 | H662 L663 I677 Q742 | H662-L666 PolarHBondContact O-N 2.71Å; L663-L666 PolarHBondContact O-N 3.45Å; L666-I677 HydrophobicContact CD2-CG2 4.31Å; L666-Q742 HydrophobicContact CD2-CG 4.45Å |
| 667 | I | 46.9 | Very low | 45.5 | Very low | 80 Ų | 80 | 87.3 Ų | 87.3 | 41% | 0.41 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -87.7 | -31.7 | -174.1 | -60.5 | 159.6 | 0 | 0 | 0 | 112.8 | L663 E669 E799 | L663-I667 HydrophobicContact CB-CD1 4.13Å; L663-I667 HydrophobicContact CD2-CD1 4.1Å; L663-I667 WeakPolarHBondContact O-CD1 3.45Å; L663-I667 WeakPolarHBondContact O-CG1 3.4Å; L663-I667 PolarHBondContact O-N 2.93Å; L663-I667 VanDerWaalsContact O-N 3.09Å; I667-E669 PolarHBondContact O-N 3.48Å; I667-E799 WeakPolarHBondContact CD1-OE2 2.85Å; I667-E799 VanDerWaalsContact CG1-OE2 3.3Å; I667-E799 WeakPolarHBondContact CG1-OE2 3.43Å |
| 668 | D | 43.2 | Very low | 46.1 | Very low | 92 Ų | 92 | 84.3 Ų | 84.3 | 49% | 0.492 | 42% | 0.422 | S | S | . | . | trans | -82.9 | 80.6 | -173.6 | -143.5 | 11.6 | 0 | 0 | 0 | 110.2 | H664 K670 | H664-D668 WeakPolarHBondContact O-CB 3.22Å; H664-D668 PolarHBondContact O-N 3.34Å; D668-K670 PolarHBondContact O-N 3.48Å | ||
| 669 | E | 41 | Very low | 46.6 | Very low | 187 Ų | 187 | 84.4 Ų | 84.4 | 87% | 0.874 | 42% | 0.422 | S | S | * | . | trans | -61.8 | 67.4 | 175.5 | -73.5 | -166 | 148.8 | 0 | 0 | 112.5 | I667 | I667-E669 PolarHBondContact O-N 3.48Š| ||
| 670 | K | 40 | Very low | 47.3 | Very low | 144 Ų | 144 | 83.5 Ų | 83.5 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | trans | -104.7 | 120.4 | 163.6 | -73.6 | -174 | -179.2 | 170.9 | 0 | 109.1 | D668 S672 K673 | D668-K670 PolarHBondContact O-N 3.48Å; K670-S672 PolarHBondContact O-N 3.32Å; K670-K673 PolarHBondContact O-N 2.91Å | ||
| 671 | Q | 41 | Very low | 48.4 | Very low | 197 Ų | 197 | 82.4 Ų | 82.4 | 92% | 0.921 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -48.5 | -10.6 | -176.2 | -73.4 | 179.3 | -18.7 | 0 | 0 | 115.9 | ||
| 672 | S | 38.5 | Very low | 49.9 | Very low | 110 Ų | 110 | 77.4 Ų | 77.4 | 77% | 0.769 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -84.7 | 0.3 | 178.9 | 64.2 | 0 | 0 | 0 | 0 | 115.7 | K670 | K670-S672 PolarHBondContact O-N 3.32Š|
| 673 | K | 46 | Very low | 51.7 | Low | 86 Ų | 86 | 77 Ų | 77 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -120.7 | 20.1 | -176.6 | -76.5 | -170.1 | 175.3 | -176.9 | 0 | 116.3 | K670 N675 Q676 I677 | K670-K673 PolarHBondContact O-N 2.91Å; K673-N675 VanDerWaalsContact C-N 3.28Å; K673-N675 PolarHBondContact O-N 2.89Å; K673-Q676 PolarHBondContact O-N 2.85Å; K673-I677 HydrophobicContact CB-CD1 4.41Å; K673-I677 WeakPolarHBondContact O-CG1 3.29Å; K673-I677 PolarHBondContact O-N 3.08Å; K673-I677 VanDerWaalsContact O-N 3.11Å |
| 674 | K | 48.3 | Very low | 53.2 | Low | 159 Ų | 159 | 75.9 Ų | 75.9 | 69% | 0.691 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -55 | -38.2 | -179.9 | -99.9 | -175.6 | 173.7 | -175.5 | 0 | 114.3 | N678 | K674-N678 WeakPolarHBondContact O-CB 3.47Å; K674-N678 VanDerWaalsContact O-CG 3.26Å; K674-N678 PolarHBondContact O-N 3.3Å; K674-N678 VanDerWaalsContact O-N 3.14Å |
| 675 | N | 47.4 | Very low | 54.8 | Low | 109 Ų | 109 | 70.4 Ų | 70.4 | 58% | 0.583 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -71.2 | -39.5 | -179.6 | -67.5 | 3.6 | 0 | 0 | 0 | 112.6 | K673 N678 E679 | K673-N675 VanDerWaalsContact C-N 3.28Å; K673-N675 PolarHBondContact O-N 2.89Å; N675-N678 PolarHBondContact O-N 3.29Å; N675-E679 PolarHBondContact O-N 2.97Å |
| 676 | Q | 50.5 | Low | 56.5 | Low | 84 Ų | 84 | 70 Ų | 70 | 39% | 0.393 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 178 | -73.3 | -179.8 | -14 | 0 | 0 | 111.8 | K673 I680 | K673-Q676 PolarHBondContact O-N 2.85Å; Q676-I680 VanDerWaalsContact O-CD1 3.25Å; Q676-I680 WeakPolarHBondContact O-CD1 3.47Å; Q676-I680 WeakPolarHBondContact O-CG1 3.33Å; Q676-I680 PolarHBondContact O-N 2.91Å |
| 677 | I | 52.4 | Low | 58.3 | Low | 40 Ų | 40 | 67.3 Ų | 67.3 | 21% | 0.205 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66 | -45 | 176.7 | -64.9 | 164.7 | 0 | 0 | 0 | 109.8 | I665 L666 K673 E679 I680 T681 | I665-I677 HydrophobicContact CG2-CG1 4.25Å; L666-I677 HydrophobicContact CD2-CG2 4.31Å; K673-I677 HydrophobicContact CB-CD1 4.41Å; K673-I677 WeakPolarHBondContact O-CG1 3.29Å; K673-I677 PolarHBondContact O-N 3.08Å; K673-I677 VanDerWaalsContact O-N 3.11Å; I677-E679 VanDerWaalsContact C-N 3.33Å; I677-E679 PolarHBondContact O-N 3.06Å; I677-I680 PolarHBondContact O-N 2.9Å; I677-T681 HydrophobicContact CG2-CG2 4.46Å; I677-T681 WeakPolarHBondContact O-CG2 3.38Å; I677-T681 PolarHBondContact O-N 3.3Å |
| 678 | N | 54.6 | Low | 60 | Low | 60 Ų | 60 | 63.7 Ų | 63.7 | 32% | 0.321 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.7 | -33 | -179.9 | -78.6 | -2.6 | 0 | 0 | 0 | 114 | R535 K674 N675 T681 | R535-N678 VanDerWaalsContact CZ-O 3.31Å; R535-N678 PolarHBondContact NH1-O 3.14Å; R535-N678 PolarHBondContact NH2-O 3.38Å; K674-N678 WeakPolarHBondContact O-CB 3.47Å; K674-N678 VanDerWaalsContact O-CG 3.26Å; K674-N678 PolarHBondContact O-N 3.3Å; K674-N678 VanDerWaalsContact O-N 3.14Å; N675-N678 PolarHBondContact O-N 3.29Å; N678-T681 PolarHBondContact O-OG1 2.98Å |
| 679 | E | 56.1 | Low | 62.1 | Low | 44 Ų | 44 | 59.3 Ų | 59.3 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.3 | -31.1 | 177.8 | -73.6 | 169.6 | 174 | 0 | 0 | 112.5 | N675 I677 T682 H683 | N675-E679 PolarHBondContact O-N 2.97Å; I677-E679 VanDerWaalsContact C-N 3.33Å; I677-E679 PolarHBondContact O-N 3.06Å; E679-T682 PolarHBondContact O-OG1 3.33Å; E679-H683 PolarHBondContact O-CE1 2.9Å; E679-H683 VanDerWaalsContact O-CE1 3.29Å; E679-H683 PolarHBondContact O-ND1 3.07Å; E679-H683 VanDerWaalsContact O-ND1 3.17Å |
| 680 | I | 58.4 | Low | 64.2 | Low | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -75.2 | -32 | 179.7 | -68.3 | 166.6 | 0 | 0 | 0 | 111.5 | P647 H662 I665 Q676 I677 T682 | P647-I680 HydrophobicContact CG-CD1 3.66Å; P647-I680 HydrophobicContact CG-CG1 3.58Å; H662-I680 WeakPolarHBondContact CE1-CG2 3.24Å; H662-I680 WeakPolarHBondContact NE2-CG2 3.4Å; I665-I680 HydrophobicContact CD1-CD1 4.39Å; I665-I680 HydrophobicContact CG2-CD1 3.84Å; Q676-I680 VanDerWaalsContact O-CD1 3.25Å; Q676-I680 WeakPolarHBondContact O-CD1 3.47Å; Q676-I680 WeakPolarHBondContact O-CG1 3.33Å; Q676-I680 PolarHBondContact O-N 2.91Å; I677-I680 PolarHBondContact O-N 2.9Å; I680-T682 PolarHBondContact O-N 3.42Å |
| 681 | T | 69 | Low | 66.3 | Low | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -76.8 | -20.7 | -177.3 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | R532 I677 N678 H683 S684 D685 Q742 | R532-T681 PolarHBondContact NE-OG1 3.32Å; I677-T681 HydrophobicContact CG2-CG2 4.46Å; I677-T681 WeakPolarHBondContact O-CG2 3.38Å; I677-T681 PolarHBondContact O-N 3.3Å; N678-T681 PolarHBondContact O-OG1 2.98Å; T681-H683 VanDerWaalsContact C-N 3.26Å; T681-H683 PolarHBondContact O-N 2.89Å; T681-S684 PolarHBondContact O-N 3.49Å; T681-S684 PolarHBondContact O-OG 2.93Å; T681-D685 VanDerWaalsContact O-CB 3.28Å; T681-D685 WeakPolarHBondContact O-CB 3.41Å; T681-D685 PolarHBondContact O-N 3.2Å; T681-Q742 HydrophobicContact CG2-CG 4.11Å |
| 682 | T | 77.3 | Confident | 68.3 | Low | 6 Ų | 6 | 34.3 Ų | 34.3 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.9 | -31.2 | -178 | 42.1 | 0 | 0 | 0 | 0 | 113.1 | R535 E679 I680 L686 | R535-T682 HydrophobicContact CB-CG2 4.14Å; E679-T682 PolarHBondContact O-OG1 3.33Å; I680-T682 PolarHBondContact O-N 3.42Å; T682-L686 VanDerWaalsContact O-CB 3.25Å; T682-L686 WeakPolarHBondContact O-CB 3.06Å; T682-L686 PolarHBondContact O-N 2.87Å |
| 683 | H | 81.4 | Confident | 70.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.1 | -48.7 | 179.2 | -56.4 | 67.6 | 0 | 0 | 0 | 111.1 | L642 S646 E679 T681 L686 F687 M731 L738 | L642-H683 PolarHBondContact O-NE2 3.45Å; S646-H683 PolarHBondContact OG-NE2 3.37Å; E679-H683 PolarHBondContact O-CE1 2.9Å; E679-H683 VanDerWaalsContact O-CE1 3.29Å; E679-H683 PolarHBondContact O-ND1 3.07Å; E679-H683 VanDerWaalsContact O-ND1 3.17Å; T681-H683 VanDerWaalsContact C-N 3.26Å; T681-H683 PolarHBondContact O-N 2.89Å; H683-L686 PolarHBondContact O-N 2.92Å; H683-F687 WeakPolarHBondContact O-CB 3.46Å; H683-F687 PolarHBondContact O-N 3.07Å; H683-M731 WeakPolarHBondContact O-CE 3.1Å; H683-L738 WeakPolarHBondContact CB-O 3.28Å |
| 684 | S | 78.6 | Confident | 71.9 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.028 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -70.6 | -38.2 | 178.5 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | T681 L686 F687 L688 W740 | T681-S684 PolarHBondContact O-N 3.49Å; T681-S684 PolarHBondContact O-OG 2.93Å; S684-L686 PolarHBondContact O-N 2.82Å; S684-F687 PolarHBondContact O-N 2.88Å; S684-L688 WeakPolarHBondContact O-CB 3.43Å; S684-L688 WeakPolarHBondContact O-CG 3.29Å; S684-L688 PolarHBondContact O-N 2.78Å; S684-W740 VanDerWaalsContact CB-O 3.3Å; S684-W740 WeakPolarHBondContact CB-O 3.26Å |
| 685 | D | 81.9 | Confident | 73.4 | Confident | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 173.9 | -68.4 | -20.9 | 0 | 0 | 0 | 111.2 | R532 L557 T681 S689 | R532-D685 IonicContact CZ-OD2 2.66Å; R532-D685 IonicContact NE-OD2 3.42Å; R532-D685 PolarHBondContact NE-OD2 3.06Å; R532-D685 VanDerWaalsContact NE-OD2 3.09Å; R532-D685 VanDerWaalsContact NH2-CG 3.27Å; R532-D685 IonicContact NH2-OD1 3.71Å; R532-D685 PolarHBondContact NH2-OD1 3.01Å; R532-D685 IonicContact NH2-OD2 2.71Å; R532-D685 PolarHBondContact NH2-OD2 3.08Å; L557-D685 HydrophobicContact CD1-CB 4.34Å; T681-D685 VanDerWaalsContact O-CB 3.28Å; T681-D685 WeakPolarHBondContact O-CB 3.41Å; T681-D685 PolarHBondContact O-N 3.2Å; D685-S689 WeakPolarHBondContact O-CB 3.34Å; D685-S689 PolarHBondContact O-N 2.98Å |
| 686 | L | 85.6 | Confident | 74.9 | Confident | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.016 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.4 | -48.8 | 175.8 | 179.6 | 65.6 | 0 | 0 | 0 | 111 | L536 I539 R540 L638 L642 T682 H683 S684 L688 S689 L690 M731 | L536-L686 HydrophobicContact CD1-CB 3.96Å; L536-L686 HydrophobicContact CD1-CD1 3.7Å; L536-L686 HydrophobicContact CD1-CG 4.46Å; I539-L686 HydrophobicContact CG2-CD1 4.05Å; I539-L686 HydrophobicContact CG2-CD2 3.97Å; R540-L686 HydrophobicContact CG-CD1 4.28Å; L638-L686 HydrophobicContact CD2-CD2 4.27Å; L642-L686 HydrophobicContact CD1-CD2 3.96Å; T682-L686 VanDerWaalsContact O-CB 3.25Å; T682-L686 WeakPolarHBondContact O-CB 3.06Å; T682-L686 PolarHBondContact O-N 2.87Å; H683-L686 PolarHBondContact O-N 2.92Å; S684-L686 PolarHBondContact O-N 2.82Å; L686-L688 PolarHBondContact O-N 2.77Å; L686-S689 WeakPolarHBondContact O-CB 3.47Å; L686-S689 PolarHBondContact O-N 2.91Å; L686-S689 VanDerWaalsContact O-N 3.1Å; L686-S689 PolarHBondContact O-OG 2.89Å; L686-L690 HydrophobicContact CD1-CD1 4.38Å; L686-L690 HydrophobicContact CD1-CG 4.41Å; L686-L690 HydrophobicContact CG-CD1 4.1Å; L686-L690 VanDerWaalsContact O-CG 3.32Å; L686-L690 WeakPolarHBondContact O-CG 3.19Å; L686-L690 PolarHBondContact O-N 2.74Å; L686-M731 HydrophobicContact CD2-CE 4.21Å; L686-M731 HydrophobicContact CD2-SD 4.09Å; L686-M731 HydrophobicContact CG-CE 4.46Å; L686-M731 HydrophobicContact CG-SD 4.35Å |
| 687 | F | 85.9 | Confident | 76.2 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.5 | -47.6 | -178.5 | -173.5 | -98.5 | 0 | 0 | 0 | 112.9 | H683 S684 S689 L690 L691 T728 M731 I732 I739 I784 Y788 | H683-F687 WeakPolarHBondContact O-CB 3.46Å; H683-F687 PolarHBondContact O-N 3.07Å; S684-F687 PolarHBondContact O-N 2.88Å; F687-S689 VanDerWaalsContact C-N 3.29Å; F687-S689 PolarHBondContact O-N 3.35Å; F687-L690 PolarHBondContact O-N 3.04Å; F687-L691 HydrophobicContact CD1-CD1 3.8Å; F687-L691 HydrophobicContact CD1-CG 4.45Å; F687-L691 HydrophobicContact CE1-CD1 3.48Å; F687-L691 VanDerWaalsContact CE1-CD1 3.48Å; F687-L691 HydrophobicContact CE1-CG 4.19Å; F687-L691 HydrophobicContact CZ-CD1 4.32Å; F687-L691 PolarHBondContact O-N 2.85Å; F687-T728 HydrophobicContact CD2-CG2 3.95Å; F687-T728 HydrophobicContact CE2-CG2 3.26Å; F687-T728 HydrophobicContact CZ-CG2 3.63Å; F687-M731 HydrophobicContact CB-CE 3.89Å; F687-M731 HydrophobicContact CD2-CB 4.27Å; F687-M731 HydrophobicContact CD2-CE 4.18Å; F687-M731 HydrophobicContact CD2-SD 4.24Å; F687-I732 HydrophobicContact CE2-CD1 3.96Å; F687-I732 HydrophobicContact CE2-CG1 3.72Å; F687-I732 HydrophobicContact CZ-CD1 3.92Å; F687-I732 HydrophobicContact CZ-CG1 3.97Å; F687-I739 HydrophobicContact CB-CG2 3.38Å; F687-I739 HydrophobicContact CD1-CG2 3.36Å; F687-I739 HydrophobicContact CD2-CD1 4.26Å; F687-I739 HydrophobicContact CD2-CG2 3.3Å; F687-I739 HydrophobicContact CE1-CG2 3.85Å; F687-I739 HydrophobicContact CE2-CD1 4.27Å; F687-I739 HydrophobicContact CE2-CG2 3.78Å; F687-I739 HydrophobicContact CG-CG2 3.04Å; F687-I739 HydrophobicContact CZ-CG2 4.03Å; F687-I784 HydrophobicContact CE1-CG2 4.09Å; F687-I784 HydrophobicContact CZ-CG2 3.66Å; F687-Y788 WeakPolarHBondContact CD1-OH 3.5Å; F687-Y788 AromaticContact CE1-CE2 3.96Å; F687-Y788 HydrophobicContact CE1-CE2 3.96Å; F687-Y788 AromaticContact CE1-CZ 3.96Å; F687-Y788 WeakPolarHBondContact CE1-OH 3.47Å |
| 688 | L | 83.2 | Confident | 77 | Confident | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.021 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 175.2 | -69.9 | 173.3 | 0 | 0 | 0 | 110.5 | M553 P554 S684 L686 L690 L691 T692 P741 A747 L750 | M553-L688 HydrophobicContact CE-CB 3.71Å; M553-L688 WeakPolarHBondContact CE-O 3.48Å; M553-L688 HydrophobicContact SD-CB 3.96Å; P554-L688 HydrophobicContact CG-CD1 4.41Å; S684-L688 WeakPolarHBondContact O-CB 3.43Å; S684-L688 WeakPolarHBondContact O-CG 3.29Å; S684-L688 PolarHBondContact O-N 2.78Å; L686-L688 PolarHBondContact O-N 2.77Å; L688-L690 VanDerWaalsContact C-N 3.29Å; L688-L690 PolarHBondContact O-N 2.9Å; L688-L691 HydrophobicContact CD2-CD1 4.41Å; L688-L691 WeakPolarHBondContact O-CB 3.39Å; L688-L691 PolarHBondContact O-N 2.75Å; L688-T692 WeakPolarHBondContact O-CG2 3.37Å; L688-T692 PolarHBondContact O-N 2.89Å; L688-P741 HydrophobicContact CD1-CB 4.07Å; L688-P741 HydrophobicContact CD2-CB 4.49Å; L688-A747 HydrophobicContact CD2-CB 4.02Å; L688-L750 HydrophobicContact CD2-CD2 4.5Å |
| 689 | S | 87.2 | Confident | 78 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.2 | -38.8 | 178.1 | 82.6 | 0 | 0 | 0 | 0 | 112.6 | R540 D685 L686 F687 T692 D693 | R540-S689 PolarHBondContact NH1-OG 3.27Å; D685-S689 WeakPolarHBondContact O-CB 3.34Å; D685-S689 PolarHBondContact O-N 2.98Å; L686-S689 WeakPolarHBondContact O-CB 3.47Å; L686-S689 PolarHBondContact O-N 2.91Å; L686-S689 VanDerWaalsContact O-N 3.1Å; L686-S689 PolarHBondContact O-OG 2.89Å; F687-S689 VanDerWaalsContact C-N 3.29Å; F687-S689 PolarHBondContact O-N 3.35Å; S689-T692 PolarHBondContact O-N 2.95Å; S689-T692 PolarHBondContact O-OG1 3.16Å; S689-D693 PolarHBondContact O-N 2.81Å |
| 690 | L | 85.7 | Confident | 78.8 | Confident | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -70.5 | -37.2 | 177.9 | -62.3 | 168.5 | 0 | 0 | 0 | 111.7 | L545 L686 F687 L688 T692 D693 M694 I727 T728 M731 | L545-L690 HydrophobicContact CD1-CD2 3.74Å; L686-L690 HydrophobicContact CD1-CD1 4.38Å; L686-L690 HydrophobicContact CD1-CG 4.41Å; L686-L690 HydrophobicContact CG-CD1 4.1Å; L686-L690 VanDerWaalsContact O-CG 3.32Å; L686-L690 WeakPolarHBondContact O-CG 3.19Å; L686-L690 PolarHBondContact O-N 2.74Å; F687-L690 PolarHBondContact O-N 3.04Å; L688-L690 VanDerWaalsContact C-N 3.29Å; L688-L690 PolarHBondContact O-N 2.9Å; L690-T692 VanDerWaalsContact C-N 3.28Å; L690-T692 PolarHBondContact O-N 2.76Å; L690-D693 PolarHBondContact O-N 3.33Å; L690-M694 PolarHBondContact O-N 3.5Å; L690-I727 HydrophobicContact CD1-CB 3.87Å; L690-I727 HydrophobicContact CD1-CG2 3.37Å; L690-I727 HydrophobicContact CD2-CD1 4.34Å; L690-T728 WeakPolarHBondContact CB-OG1 3.15Å; L690-M731 HydrophobicContact CD1-SD 3.93Å |
| 691 | L | 82.6 | Confident | 79.4 | Confident | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62 | -36.6 | 171 | -75.2 | 170.4 | 0 | 0 | 0 | 111.8 | F687 L688 M694 H695 T728 L750 F751 L754 L781 I784 | F687-L691 HydrophobicContact CD1-CD1 3.8Å; F687-L691 HydrophobicContact CD1-CG 4.45Å; F687-L691 HydrophobicContact CE1-CD1 3.48Å; F687-L691 VanDerWaalsContact CE1-CD1 3.48Å; F687-L691 HydrophobicContact CE1-CG 4.19Å; F687-L691 HydrophobicContact CZ-CD1 4.32Å; F687-L691 PolarHBondContact O-N 2.85Å; L688-L691 HydrophobicContact CD2-CD1 4.41Å; L688-L691 WeakPolarHBondContact O-CB 3.39Å; L688-L691 PolarHBondContact O-N 2.75Å; L691-M694 HydrophobicContact CB-CE 4.47Å; L691-M694 HydrophobicContact CD2-CE 3.28Å; L691-M694 HydrophobicContact CG-CE 4.12Å; L691-M694 PolarHBondContact O-N 2.82Å; L691-H695 PolarHBondContact O-N 2.75Å; L691-T728 HydrophobicContact CD2-CG2 4.37Å; L691-L750 HydrophobicContact CB-CD2 3.48Å; L691-L750 VanDerWaalsContact CB-CD2 3.48Å; L691-L750 HydrophobicContact CB-CG 4.37Å; L691-L750 HydrophobicContact CD1-CD2 4.27Å; L691-F751 HydrophobicContact CD1-CZ 4.4Å; L691-L754 HydrophobicContact CD2-CD1 4.5Å; L691-L781 HydrophobicContact CD2-CD2 4.39Å; L691-I784 HydrophobicContact CD2-CD1 3.77Å |
| 692 | T | 83.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -68 | -38.3 | 174.1 | 63 | 0 | 0 | 0 | 0 | 112.5 | S549 L552 M553 L688 S689 L690 M694 H695 F696 L750 | S549-T692 WeakPolarHBondContact OG-CB 3.39Å; S549-T692 PolarHBondContact OG-OG1 3.41Å; L552-T692 HydrophobicContact CB-CG2 3.73Å; L552-T692 HydrophobicContact CD1-CG2 4.34Å; M553-T692 HydrophobicContact CE-CG2 3.28Å; L688-T692 WeakPolarHBondContact O-CG2 3.37Å; L688-T692 PolarHBondContact O-N 2.89Å; S689-T692 PolarHBondContact O-N 2.95Å; S689-T692 PolarHBondContact O-OG1 3.16Å; L690-T692 VanDerWaalsContact C-N 3.28Å; L690-T692 PolarHBondContact O-N 2.76Å; T692-M694 VanDerWaalsContact C-N 3.31Å; T692-M694 PolarHBondContact O-N 2.88Å; T692-H695 WeakPolarHBondContact O-CB 3.42Å; T692-H695 PolarHBondContact O-N 3.49Å; T692-H695 VanDerWaalsContact O-N 3.11Å; T692-F696 WeakPolarHBondContact O-CD2 3.16Å; T692-F696 PolarHBondContact O-N 2.93Å; T692-L750 HydrophobicContact CG2-CD1 3.95Å; T692-L750 HydrophobicContact CG2-CD2 3.89Å |
| 693 | D | 82.4 | Confident | 78.9 | Confident | 9 Ų | 9 | 18.5 Ų | 18.5 | 5% | 0.048 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 174.9 | -65.9 | -32.9 | 0 | 0 | 0 | 110.5 | R540 S689 L690 H695 F696 T697 I720 S724 | R540-D693 IonicContact CZ-OD1 2.7Å; R540-D693 IonicContact CZ-OD2 3.89Å; R540-D693 IonicContact NH1-OD1 2.9Å; R540-D693 IonicContact NH1-OD2 3.85Å; R540-D693 PolarHBondContact NH1-OD2 3.39Å; R540-D693 VanDerWaalsContact NH2-CG 3.26Å; R540-D693 IonicContact NH2-OD1 3.02Å; R540-D693 PolarHBondContact NH2-OD1 2.88Å; R540-D693 IonicContact NH2-OD2 3.52Å; R540-D693 PolarHBondContact NH2-OD2 2.92Å; S689-D693 PolarHBondContact O-N 2.81Å; L690-D693 PolarHBondContact O-N 3.33Å; D693-H695 VanDerWaalsContact C-N 3.31Å; D693-H695 PolarHBondContact O-N 2.69Å; D693-F696 PolarHBondContact O-N 3.29Å; D693-T697 PolarHBondContact O-N 3.41Å; D693-T697 PolarHBondContact O-OG1 2.63Å; D693-T697 VanDerWaalsContact O-OG1 3.12Å; D693-I720 HydrophobicContact CB-CG2 4.15Å; D693-S724 WeakPolarHBondContact CB-OG 3.13Å |
| 694 | M | 78.6 | Confident | 78.2 | Confident | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.02 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.7 | -43.7 | 173.2 | -69.8 | -166.4 | -74.9 | 0 | 0 | 111.7 | L690 L691 T692 F696 T697 F698 T728 M777 L781 I784 | L690-M694 PolarHBondContact O-N 3.5Å; L691-M694 HydrophobicContact CB-CE 4.47Å; L691-M694 HydrophobicContact CD2-CE 3.28Å; L691-M694 HydrophobicContact CG-CE 4.12Å; L691-M694 PolarHBondContact O-N 2.82Å; T692-M694 VanDerWaalsContact C-N 3.31Å; T692-M694 PolarHBondContact O-N 2.88Å; M694-F696 PolarHBondContact O-N 3.5Å; M694-T697 PolarHBondContact O-N 3.13Å; M694-F698 HydrophobicContact CB-CE2 4.1Å; M694-F698 WeakPolarHBondContact O-CD2 3.42Å; M694-F698 WeakPolarHBondContact O-CG 3.39Å; M694-F698 PolarHBondContact O-N 3.26Å; M694-T728 HydrophobicContact CE-CG2 4.07Å; M694-M777 HydrophobicContact SD-CE 4.3Å; M694-L781 HydrophobicContact CE-CD2 4.42Å; M694-I784 HydrophobicContact CE-CD1 4.24Å |
| 695 | H | 80 | Confident | 77.4 | Confident | 26 Ų | 26 | 23.8 Ų | 23.8 | 12% | 0.12 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.5 | -46.2 | 175.4 | -179.8 | 73.2 | 0 | 0 | 0 | 112.5 | L691 T692 D693 F698 Q699 L750 L754 | L691-H695 PolarHBondContact O-N 2.75Å; T692-H695 WeakPolarHBondContact O-CB 3.42Å; T692-H695 PolarHBondContact O-N 3.49Å; T692-H695 VanDerWaalsContact O-N 3.11Å; D693-H695 VanDerWaalsContact C-N 3.31Å; D693-H695 PolarHBondContact O-N 2.69Å; H695-F698 PolarHBondContact O-N 3Å; H695-Q699 PolarHBondContact O-N 3.49Å; H695-L750 HydrophobicContact CB-CD1 4.14Å; H695-L754 HydrophobicContact CB-CD2 3.62Å; H695-L754 HydrophobicContact CB-CG 4.17Å |
| 696 | F | 78.4 | Confident | 76.2 | Confident | 62 Ų | 62 | 28 Ų | 28 | 27% | 0.272 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -68.2 | -36.8 | 178.1 | -74.6 | -65 | 0 | 0 | 0 | 112.8 | S549 K551 T692 D693 M694 F698 Q699 A700 | S549-F696 WeakPolarHBondContact OG-CE2 3.45Å; K551-F696 HydrophobicContact CD-CZ 4.4Å; T692-F696 WeakPolarHBondContact O-CD2 3.16Å; T692-F696 PolarHBondContact O-N 2.93Å; D693-F696 PolarHBondContact O-N 3.29Å; M694-F696 PolarHBondContact O-N 3.5Å; F696-F698 VanDerWaalsContact C-N 3.33Å; F696-F698 PolarHBondContact O-N 3.25Å; F696-Q699 WeakPolarHBondContact O-CB 3.41Å; F696-Q699 PolarHBondContact O-N 3.32Å; F696-A700 PolarHBondContact O-N 3.36Å |
| 697 | T | 76.7 | Confident | 74.5 | Confident | 12 Ų | 12 | 34.7 Ų | 34.7 | 7% | 0.074 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60 | -44.5 | 172.6 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | D693 M694 Q699 A700 I701 I717 G721 | D693-T697 PolarHBondContact O-N 3.41Å; D693-T697 PolarHBondContact O-OG1 2.63Å; D693-T697 VanDerWaalsContact O-OG1 3.12Å; M694-T697 PolarHBondContact O-N 3.13Å; T697-Q699 VanDerWaalsContact C-N 3.33Å; T697-Q699 PolarHBondContact O-N 3.45Å; T697-A700 PolarHBondContact O-N 3.26Å; T697-I701 HydrophobicContact CG2-CD1 3.95Å; T697-I701 VanDerWaalsContact O-CG1 3.3Å; T697-I701 WeakPolarHBondContact O-CG1 3.11Å; T697-I701 PolarHBondContact O-N 3.29Å; T697-I717 HydrophobicContact CG2-CG2 4.28Å; T697-I717 WeakPolarHBondContact CG2-O 3.44Å; T697-I717 PolarHBondContact OG1-O 3.31Å; T697-G721 VanDerWaalsContact OG1-CA 3.25Å; T697-G721 WeakPolarHBondContact OG1-CA 3.22Å; T697-G721 PolarHBondContact OG1-N 2.96Å |
| 698 | F | 70.9 | Confident | 72.5 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.2 | -34.6 | 174.7 | -63.8 | -54.4 | 0 | 0 | 0 | 113.1 | M694 H695 F696 F702 L754 R757 F758 L761 M777 L781 | M694-F698 HydrophobicContact CB-CE2 4.1Å; M694-F698 WeakPolarHBondContact O-CD2 3.42Å; M694-F698 WeakPolarHBondContact O-CG 3.39Å; M694-F698 PolarHBondContact O-N 3.26Å; H695-F698 PolarHBondContact O-N 3Å; F696-F698 VanDerWaalsContact C-N 3.33Å; F696-F698 PolarHBondContact O-N 3.25Å; F698-F702 WeakPolarHBondContact O-CB 3.49Å; F698-F702 PolarHBondContact O-N 3.1Å; F698-F702 VanDerWaalsContact O-N 3.07Å; F698-L754 HydrophobicContact CD2-CD2 3.73Å; F698-L754 HydrophobicContact CE2-CD2 3.97Å; F698-R757 HydrophobicContact CB-CG 4.48Å; F698-F758 HydrophobicContact CE1-CE2 4.33Å; F698-L761 HydrophobicContact CB-CD1 4.17Å; F698-L761 HydrophobicContact CD1-CD1 4.35Å; F698-M777 HydrophobicContact CE1-CB 4.13Å; F698-M777 HydrophobicContact CE1-CE 4.11Å; F698-M777 HydrophobicContact CE1-CG 4.19Å; F698-M777 HydrophobicContact CE2-CE 4.46Å; F698-M777 HydrophobicContact CZ-CB 3.97Å; F698-M777 HydrophobicContact CZ-CE 3.52Å; F698-M777 HydrophobicContact CZ-CG 4.28Å; F698-L781 HydrophobicContact CE2-CD1 4.12Å; F698-L781 HydrophobicContact CZ-CD1 4.44Å |
| 699 | Q | 74.5 | Confident | 70.5 | Confident | 62 Ų | 62 | 49 Ų | 49 | 29% | 0.29 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 174.7 | -176.4 | -179.9 | -14.5 | 0 | 0 | 110.4 | H695 F696 T697 F702 E703 R757 | H695-Q699 PolarHBondContact O-N 3.49Å; F696-Q699 WeakPolarHBondContact O-CB 3.41Å; F696-Q699 PolarHBondContact O-N 3.32Å; T697-Q699 VanDerWaalsContact C-N 3.33Å; T697-Q699 PolarHBondContact O-N 3.45Å; Q699-F702 PolarHBondContact O-N 2.85Å; Q699-E703 WeakPolarHBondContact CG-OE1 3.33Å; Q699-E703 PolarHBondContact NE2-OE1 3.13Å; Q699-E703 WeakPolarHBondContact O-CG 3.45Å; Q699-E703 PolarHBondContact O-N 2.98Å; Q699-R757 PolarHBondContact O-NH2 3.08Å |
| 700 | A | 73.6 | Confident | 68.5 | Low | 27 Ų | 27 | 54.7 Ų | 54.7 | 22% | 0.223 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F696 T697 F702 E703 S704 I717 | F696-A700 PolarHBondContact O-N 3.36Å; T697-A700 PolarHBondContact O-N 3.26Å; A700-F702 VanDerWaalsContact C-N 3.31Å; A700-F702 PolarHBondContact O-N 3.42Å; A700-E703 PolarHBondContact O-N 3.22Å; A700-S704 PolarHBondContact O-N 3.31Å; A700-I717 HydrophobicContact CB-CD1 4.38Å; A700-I717 HydrophobicContact CB-CG2 3.78Å |
| 701 | I | 70.6 | Confident | 66.6 | Low | 35 Ų | 35 | 58 Ų | 58 | 18% | 0.179 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 176.1 | -67.3 | 165.8 | 0 | 0 | 0 | 111.1 | T697 S704 M705 L761 | T697-I701 HydrophobicContact CG2-CD1 3.95Å; T697-I701 VanDerWaalsContact O-CG1 3.3Å; T697-I701 WeakPolarHBondContact O-CG1 3.11Å; T697-I701 PolarHBondContact O-N 3.29Å; I701-S704 PolarHBondContact O-N 2.89Å; I701-S704 PolarHBondContact O-OG 3.16Å; I701-S704 VanDerWaalsContact O-OG 3.06Å; I701-M705 VanDerWaalsContact O-CG 3.22Å; I701-M705 WeakPolarHBondContact O-CG 3.42Å; I701-M705 PolarHBondContact O-N 3.09Å; I701-M705 VanDerWaalsContact O-N 3.08Å; I701-L761 HydrophobicContact CG2-CD2 4.39Å |
| 702 | F | 66.7 | Low | 65 | Low | 32 Ų | 32 | 67.3 Ų | 67.3 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.6 | -35.6 | 176.8 | 179.9 | -85.1 | 0 | 0 | 0 | 112.6 | F698 Q699 A700 M705 N706 R757 C760 L761 | F698-F702 WeakPolarHBondContact O-CB 3.49Å; F698-F702 PolarHBondContact O-N 3.1Å; F698-F702 VanDerWaalsContact O-N 3.07Å; Q699-F702 PolarHBondContact O-N 2.85Å; A700-F702 VanDerWaalsContact C-N 3.31Å; A700-F702 PolarHBondContact O-N 3.42Å; F702-M705 PolarHBondContact O-N 3.16Å; F702-N706 VanDerWaalsContact CD1-ND2 3.35Å; F702-N706 WeakPolarHBondContact CD1-ND2 3.3Å; F702-N706 WeakPolarHBondContact CE1-ND2 3.46Å; F702-N706 VanDerWaalsContact CZ-ND2 3.31Å; F702-N706 WeakPolarHBondContact CZ-ND2 3.17Å; F702-N706 PolarHBondContact O-N 3.22Å; F702-N706 PolarHBondContact O-ND2 2.98Å; F702-R757 VanDerWaalsContact CB-CZ 3.47Å; F702-R757 VanDerWaalsContact CE1-NH1 3.33Å; F702-C760 HydrophobicContact CE2-CB 3.96Å; F702-L761 HydrophobicContact CB-CD2 3.7Å; F702-L761 HydrophobicContact CB-CG 4.19Å; F702-L761 HydrophobicContact CD2-CD2 3.77Å; F702-L761 HydrophobicContact CD2-CG 3.95Å; F702-L761 HydrophobicContact CG-CD2 4.24Å |
| 703 | E | 69.6 | Low | 63.7 | Low | 98 Ų | 98 | 71.8 Ų | 71.8 | 46% | 0.458 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.5 | -40.1 | 176.5 | -74 | 170.1 | -168.6 | 0 | 0 | 110.7 | Q699 A700 M705 N706 E707 | Q699-E703 WeakPolarHBondContact CG-OE1 3.33Å; Q699-E703 PolarHBondContact NE2-OE1 3.13Å; Q699-E703 WeakPolarHBondContact O-CG 3.45Å; Q699-E703 PolarHBondContact O-N 2.98Å; A700-E703 PolarHBondContact O-N 3.22Å; E703-M705 VanDerWaalsContact C-N 3.31Å; E703-M705 PolarHBondContact O-N 3.25Å; E703-N706 PolarHBondContact O-N 3.27Å; E703-N706 VanDerWaalsContact O-N 3.13Å; E703-E707 PolarHBondContact O-N 3.36Å; E703-E707 VanDerWaalsContact O-N 3.14Å |
| 704 | S | 65.6 | Low | 62.7 | Low | 32 Ų | 32 | 74.3 Ų | 74.3 | 22% | 0.224 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.5 | -28.1 | 174.9 | 70.4 | 0 | 0 | 0 | 0 | 113.5 | A700 I701 N706 E714 | A700-S704 PolarHBondContact O-N 3.31Å; I701-S704 PolarHBondContact O-N 2.89Å; I701-S704 PolarHBondContact O-OG 3.16Å; I701-S704 VanDerWaalsContact O-OG 3.06Å; S704-N706 VanDerWaalsContact C-N 3.31Å; S704-N706 PolarHBondContact O-N 3.14Å; S704-E714 WeakPolarHBondContact CB-OE1 3.49Å; S704-E714 PolarHBondContact OG-OE1 3.45Å; S704-E714 VanDerWaalsContact OG-OE1 3.08Å |
| 705 | M | 61.7 | Low | 62 | Low | 83 Ų | 83 | 82.5 Ų | 82.5 | 41% | 0.409 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71 | -21.7 | 172.2 | -71.7 | -75 | -137.8 | 0 | 0 | 113.8 | I701 F702 E703 H770 | I701-M705 VanDerWaalsContact O-CG 3.22Å; I701-M705 WeakPolarHBondContact O-CG 3.42Å; I701-M705 PolarHBondContact O-N 3.09Å; I701-M705 VanDerWaalsContact O-N 3.08Å; F702-M705 PolarHBondContact O-N 3.16Å; E703-M705 VanDerWaalsContact C-N 3.31Å; E703-M705 PolarHBondContact O-N 3.25Å; M705-H770 HydrophobicContact CE-CB 4.16Å |
| 706 | N | 58 | Low | 61.3 | Low | 92 Ų | 92 | 85.4 Ų | 85.4 | 49% | 0.492 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -103 | -17.7 | -176.9 | -76.2 | -60.7 | 0 | 0 | 0 | 114.4 | F702 E703 S704 | F702-N706 VanDerWaalsContact CD1-ND2 3.35Å; F702-N706 WeakPolarHBondContact CD1-ND2 3.3Å; F702-N706 WeakPolarHBondContact CE1-ND2 3.46Å; F702-N706 VanDerWaalsContact CZ-ND2 3.31Å; F702-N706 WeakPolarHBondContact CZ-ND2 3.17Å; F702-N706 PolarHBondContact O-N 3.22Å; F702-N706 PolarHBondContact O-ND2 2.98Å; E703-N706 PolarHBondContact O-N 3.27Å; E703-N706 VanDerWaalsContact O-N 3.13Å; S704-N706 VanDerWaalsContact C-N 3.31Å; S704-N706 PolarHBondContact O-N 3.14Å |
| 707 | E | 49 | Very low | 60.9 | Low | 142 Ų | 142 | 84.9 Ų | 84.9 | 66% | 0.664 | 44% | 0.437 | S | S | * | . | trans | -122.7 | 136 | 179.7 | -68.5 | -168 | 167.7 | 0 | 0 | 112.5 | E703 L709 | E703-E707 PolarHBondContact O-N 3.36Å; E703-E707 VanDerWaalsContact O-N 3.14Å; E707-L709 PolarHBondContact O-N 3.25Å | ||
| 708 | V | 43.2 | Very low | 60.6 | Low | 155 Ų | 155 | 87.5 Ų | 87.5 | 94% | 0.939 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -70.9 | 3.4 | -177.3 | 179.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 709 | L | 42.2 | Very low | 60.7 | Low | 149 Ų | 149 | 91.2 Ų | 91.2 | 78% | 0.78 | 47% | 0.467 | S | S | * | . | trans | -111.2 | 97.8 | -178.9 | -141.1 | 85.1 | 0 | 0 | 0 | 111 | E707 P711 | E707-L709 PolarHBondContact O-N 3.25Å; L709-P711 WeakPolarHBondContact O-CD 3.38Å | ||
| 710 | I | 44.1 | Very low | 60.9 | Low | 120 Ų | 120 | 90.3 Ų | 90.3 | 62% | 0.615 | 46% | 0.464 | S | S | * | . | trans | -63.7 | 121.2 | 174.9 | -59.9 | 164.9 | 0 | 0 | 0 | 109.2 | E714 | I710-E714 HydrophobicContact CG2-CB 4.32Å; I710-E714 VanDerWaalsContact CG2-OE2 3.22Å; I710-E714 WeakPolarHBondContact CG2-OE2 3.45Å | ||
| 711 | P | 47.4 | Very low | 61 | Low | 70 Ų | 70 | 89.3 Ų | 89.3 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | trans | -68.6 | 136.2 | 172.1 | 2.2 | 9.6 | 0 | 0 | 0 | 109.5 | L709 N713 E714 | L709-P711 WeakPolarHBondContact O-CD 3.38Å; P711-N713 PolarHBondContact O-N 3.02Å; P711-E714 PolarHBondContact O-N 3.05Å; P711-E714 VanDerWaalsContact O-N 3.13Å | ||
| 712 | Q | 48.3 | Very low | 61.3 | Low | 198 Ų | 198 | 90.4 Ų | 90.4 | 93% | 0.925 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -5.7 | -178.4 | -70.6 | -168.3 | -19.9 | 0 | 0 | 115.2 | ||
| 713 | N | 56.7 | Low | 62 | Low | 94 Ų | 94 | 89.6 Ų | 89.6 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 14.8 | -178.7 | -66.6 | 4.4 | 0 | 0 | 0 | 113.7 | P711 K715 D716 I717 | P711-N713 PolarHBondContact O-N 3.02Å; N713-K715 PolarHBondContact O-N 2.8Å; N713-D716 PolarHBondContact O-N 3.31Å; N713-D716 VanDerWaalsContact O-N 3.15Å; N713-I717 HydrophobicContact CB-CD1 4.43Å; N713-I717 WeakPolarHBondContact O-CG1 3.13Å; N713-I717 PolarHBondContact O-N 2.94Å |
| 714 | E | 60.4 | Low | 62.6 | Low | 61 Ų | 61 | 85 Ų | 85 | 29% | 0.285 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.4 | -35.7 | -176.9 | -159 | 173.8 | -147.4 | 0 | 0 | 112.5 | S704 I710 P711 I718 | S704-E714 WeakPolarHBondContact CB-OE1 3.49Å; S704-E714 PolarHBondContact OG-OE1 3.45Å; S704-E714 VanDerWaalsContact OG-OE1 3.08Å; I710-E714 HydrophobicContact CG2-CB 4.32Å; I710-E714 VanDerWaalsContact CG2-OE2 3.22Å; I710-E714 WeakPolarHBondContact CG2-OE2 3.45Å; P711-E714 PolarHBondContact O-N 3.05Å; P711-E714 VanDerWaalsContact O-N 3.13Å; E714-I718 HydrophobicContact CG-CD1 4.06Å; E714-I718 WeakPolarHBondContact O-CB 3.49Å; E714-I718 WeakPolarHBondContact O-CD1 3.25Å; E714-I718 VanDerWaalsContact O-CG1 3.22Å; E714-I718 WeakPolarHBondContact O-CG1 3.24Å; E714-I718 PolarHBondContact O-N 2.86Å |
| 715 | K | 63.6 | Low | 63.4 | Low | 177 Ų | 177 | 83.8 Ų | 83.8 | 77% | 0.77 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.5 | -48.6 | 174.6 | -73.3 | -174.7 | 177.8 | -179.5 | 0 | 112.5 | N713 I717 I718 E719 | N713-K715 PolarHBondContact O-N 2.8Å; K715-I717 VanDerWaalsContact C-N 3.31Å; K715-I717 PolarHBondContact O-N 3.49Å; K715-I718 PolarHBondContact O-N 2.98Å; K715-E719 WeakPolarHBondContact O-CB 2.99Å; K715-E719 PolarHBondContact O-N 3.33Å |
| 716 | D | 65.9 | Low | 64.3 | Low | 86 Ų | 86 | 83.7 Ų | 83.7 | 46% | 0.46 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | -178.2 | -59.4 | -10.2 | 0 | 0 | 0 | 110.9 | N713 E719 I720 | N713-D716 PolarHBondContact O-N 3.31Å; N713-D716 VanDerWaalsContact O-N 3.15Å; D716-E719 PolarHBondContact O-N 2.79Å; D716-I720 WeakPolarHBondContact O-CB 3.5Å; D716-I720 WeakPolarHBondContact O-CD1 3.39Å; D716-I720 WeakPolarHBondContact O-CG1 3.31Å; D716-I720 PolarHBondContact O-N 3.4Å |
| 717 | I | 71.1 | Confident | 65.6 | Low | 51 Ų | 51 | 79.5 Ų | 79.5 | 26% | 0.262 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 178.9 | -64.7 | 166.6 | 0 | 0 | 0 | 111.6 | T697 A700 N713 K715 G721 | T697-I717 HydrophobicContact CG2-CG2 4.28Å; T697-I717 WeakPolarHBondContact CG2-O 3.44Å; T697-I717 PolarHBondContact OG1-O 3.31Å; A700-I717 HydrophobicContact CB-CD1 4.38Å; A700-I717 HydrophobicContact CB-CG2 3.78Å; N713-I717 HydrophobicContact CB-CD1 4.43Å; N713-I717 WeakPolarHBondContact O-CG1 3.13Å; N713-I717 PolarHBondContact O-N 2.94Å; K715-I717 VanDerWaalsContact C-N 3.31Å; K715-I717 PolarHBondContact O-N 3.49Å; I717-G721 PolarHBondContact O-N 3.24Å; I717-G721 VanDerWaalsContact O-N 3.14Å |
| 718 | I | 70.4 | Confident | 67.2 | Low | 67 Ų | 67 | 72.8 Ų | 72.8 | 34% | 0.344 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 175.4 | -67.4 | 167.8 | 0 | 0 | 0 | 110.3 | E714 K715 G721 T722 | E714-I718 HydrophobicContact CG-CD1 4.06Å; E714-I718 WeakPolarHBondContact O-CB 3.49Å; E714-I718 WeakPolarHBondContact O-CD1 3.25Å; E714-I718 VanDerWaalsContact O-CG1 3.22Å; E714-I718 WeakPolarHBondContact O-CG1 3.24Å; E714-I718 PolarHBondContact O-N 2.86Å; K715-I718 PolarHBondContact O-N 2.98Å; I718-G721 PolarHBondContact O-N 2.93Å; I718-T722 HydrophobicContact CG2-CG2 4.28Å; I718-T722 WeakPolarHBondContact O-CG2 3.39Å; I718-T722 PolarHBondContact O-N 3.09Å; I718-T722 PolarHBondContact O-OG1 3.38Å |
| 719 | E | 72.9 | Confident | 69 | Low | 85 Ų | 85 | 68.5 Ų | 68.5 | 40% | 0.397 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 176.1 | -170.3 | 174 | 174.5 | 0 | 0 | 111.4 | K715 D716 G721 T722 V723 | K715-E719 WeakPolarHBondContact O-CB 2.99Å; K715-E719 PolarHBondContact O-N 3.33Å; D716-E719 PolarHBondContact O-N 2.79Å; E719-G721 VanDerWaalsContact C-N 3.33Å; E719-G721 PolarHBondContact O-N 3.41Å; E719-T722 WeakPolarHBondContact CA-OG1 3.46Å; E719-T722 PolarHBondContact O-N 3.01Å; E719-T722 PolarHBondContact O-OG1 3.46Å; E719-V723 HydrophobicContact CG-CG2 4.42Å; E719-V723 WeakPolarHBondContact O-CB 3.49Å; E719-V723 VanDerWaalsContact O-CG2 3.29Å; E719-V723 WeakPolarHBondContact O-CG2 3.31Å; E719-V723 PolarHBondContact O-N 3.09Å |
| 720 | I | 78.2 | Confident | 70.9 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 22% | 0.221 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.3 | -46.4 | 174.5 | -70.9 | 160.5 | 0 | 0 | 0 | 111.1 | L545 P546 D693 D716 S724 | L545-I720 HydrophobicContact CD2-CB 4.47Å; L545-I720 HydrophobicContact CD2-CG1 4.47Å; L545-I720 HydrophobicContact CD2-CG2 4.02Å; P546-I720 HydrophobicContact CG-CD1 4.05Å; P546-I720 HydrophobicContact CG-CG2 4.36Å; D693-I720 HydrophobicContact CB-CG2 4.15Å; D716-I720 WeakPolarHBondContact O-CB 3.5Å; D716-I720 WeakPolarHBondContact O-CD1 3.39Å; D716-I720 WeakPolarHBondContact O-CG1 3.31Å; D716-I720 PolarHBondContact O-N 3.4Å; I720-S724 VanDerWaalsContact O-CB 3.24Å; I720-S724 WeakPolarHBondContact O-CB 3.27Å; I720-S724 PolarHBondContact O-N 2.82Å; I720-S724 PolarHBondContact O-OG 3.37Å |
| 721 | G | 76 | Confident | 72.8 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.4 | -40 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T697 I717 I718 E719 S724 S725 | T697-G721 VanDerWaalsContact OG1-CA 3.25Å; T697-G721 WeakPolarHBondContact OG1-CA 3.22Å; T697-G721 PolarHBondContact OG1-N 2.96Å; I717-G721 PolarHBondContact O-N 3.24Å; I717-G721 VanDerWaalsContact O-N 3.14Å; I718-G721 PolarHBondContact O-N 2.93Å; E719-G721 VanDerWaalsContact C-N 3.33Å; E719-G721 PolarHBondContact O-N 3.41Å; G721-S724 PolarHBondContact O-N 2.78Å; G721-S725 WeakPolarHBondContact O-CB 3.41Å; G721-S725 PolarHBondContact O-N 3.19Å |
| 722 | T | 75.3 | Confident | 74.3 | Confident | 58 Ų | 58 | 55 Ų | 55 | 36% | 0.356 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.8 | -44.8 | 178.5 | 51.1 | 0 | 0 | 0 | 0 | 111.9 | I718 E719 S724 S725 L726 | I718-T722 HydrophobicContact CG2-CG2 4.28Å; I718-T722 WeakPolarHBondContact O-CG2 3.39Å; I718-T722 PolarHBondContact O-N 3.09Å; I718-T722 PolarHBondContact O-OG1 3.38Å; E719-T722 WeakPolarHBondContact CA-OG1 3.46Å; E719-T722 PolarHBondContact O-N 3.01Å; E719-T722 PolarHBondContact O-OG1 3.46Å; T722-S724 VanDerWaalsContact C-N 3.32Å; T722-S724 PolarHBondContact O-N 3.39Å; T722-S725 PolarHBondContact O-N 2.99Å; T722-L726 WeakPolarHBondContact O-CG 3.49Å; T722-L726 PolarHBondContact O-N 3.18Å |
| 723 | V | 81.3 | Confident | 75.7 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 10% | 0.097 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 173 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | F543 L545 L631 E719 S725 L726 I727 | F543-V723 HydrophobicContact CD1-CG1 4.28Å; L545-V723 HydrophobicContact CD2-CG1 4.17Å; L631-V723 HydrophobicContact CD1-CG1 4.13Å; L631-V723 HydrophobicContact CD1-CG2 4.11Å; L631-V723 HydrophobicContact CD2-CG2 4.04Å; E719-V723 HydrophobicContact CG-CG2 4.42Å; E719-V723 WeakPolarHBondContact O-CB 3.49Å; E719-V723 VanDerWaalsContact O-CG2 3.29Å; E719-V723 WeakPolarHBondContact O-CG2 3.31Å; E719-V723 PolarHBondContact O-N 3.09Å; V723-S725 PolarHBondContact O-N 3.19Å; V723-L726 PolarHBondContact O-N 3.37Å; V723-I727 HydrophobicContact CG1-CD1 3.65Å; V723-I727 HydrophobicContact CG1-CG1 4.41Å; V723-I727 VanDerWaalsContact O-CG1 3.28Å; V723-I727 WeakPolarHBondContact O-CG1 3.38Å; V723-I727 PolarHBondContact O-N 3.17Å |
| 724 | S | 83.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 179.3 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | D693 I720 G721 T722 T728 | D693-S724 WeakPolarHBondContact CB-OG 3.13Å; I720-S724 VanDerWaalsContact O-CB 3.24Å; I720-S724 WeakPolarHBondContact O-CB 3.27Å; I720-S724 PolarHBondContact O-N 2.82Å; I720-S724 PolarHBondContact O-OG 3.37Å; G721-S724 PolarHBondContact O-N 2.78Å; T722-S724 VanDerWaalsContact C-N 3.32Å; T722-S724 PolarHBondContact O-N 3.39Å; S724-T728 VanDerWaalsContact O-CB 3.31Å; S724-T728 WeakPolarHBondContact O-CB 3.37Å; S724-T728 PolarHBondContact O-N 3.25Å; S724-T728 PolarHBondContact O-OG1 2.87Å |
| 725 | S | 80.7 | Confident | 77.1 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 175.1 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | G721 T722 V723 I727 T728 S729 Q780 | G721-S725 WeakPolarHBondContact O-CB 3.41Å; G721-S725 PolarHBondContact O-N 3.19Å; T722-S725 PolarHBondContact O-N 2.99Å; V723-S725 PolarHBondContact O-N 3.19Å; S725-I727 PolarHBondContact O-N 2.86Å; S725-T728 WeakPolarHBondContact O-CB 3.44Å; S725-T728 PolarHBondContact O-N 3.42Å; S725-S729 PolarHBondContact O-N 3.48Å; S725-Q780 PolarHBondContact OG-OE1 2.64Å |
| 726 | L | 82.1 | Confident | 77.5 | Confident | 82 Ų | 82 | 42.7 Ų | 42.7 | 43% | 0.429 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.8 | -42.5 | -179.5 | -70.6 | 170.8 | 0 | 0 | 0 | 112.2 | L631 I635 T722 V723 S729 A730 | L631-L726 HydrophobicContact CD2-CD1 3.46Å; L631-L726 VanDerWaalsContact CD2-CD1 3.46Å; I635-L726 HydrophobicContact CD1-CB 3.7Å; T722-L726 WeakPolarHBondContact O-CG 3.49Å; T722-L726 PolarHBondContact O-N 3.18Å; V723-L726 PolarHBondContact O-N 3.37Å; L726-S729 PolarHBondContact O-N 3.18Å; L726-A730 WeakPolarHBondContact O-CB 3.05Å; L726-A730 PolarHBondContact O-N 2.89Å |
| 727 | I | 84.1 | Confident | 77.6 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 174.6 | -63.7 | 162.9 | 0 | 0 | 0 | 110.1 | F543 L545 I635 L638 L690 V723 S725 S729 A730 M731 | F543-I727 HydrophobicContact CD1-CD1 3.91Å; F543-I727 HydrophobicContact CD2-CD1 4.43Å; F543-I727 HydrophobicContact CE1-CD1 4.05Å; F543-I727 HydrophobicContact CE1-CG1 4.36Å; F543-I727 HydrophobicContact CG-CD1 4.1Å; F543-I727 HydrophobicContact CZ-CD1 4.38Å; L545-I727 HydrophobicContact CD1-CD1 4.19Å; I635-I727 HydrophobicContact CD1-CG1 4.18Å; I635-I727 HydrophobicContact CG1-CG1 3.86Å; L638-I727 HydrophobicContact CD2-CG2 3.67Å; L690-I727 HydrophobicContact CD1-CB 3.87Å; L690-I727 HydrophobicContact CD1-CG2 3.37Å; L690-I727 HydrophobicContact CD2-CD1 4.34Å; V723-I727 HydrophobicContact CG1-CD1 3.65Å; V723-I727 HydrophobicContact CG1-CG1 4.41Å; V723-I727 VanDerWaalsContact O-CG1 3.28Å; V723-I727 WeakPolarHBondContact O-CG1 3.38Å; V723-I727 PolarHBondContact O-N 3.17Å; S725-I727 PolarHBondContact O-N 2.86Å; I727-S729 VanDerWaalsContact C-N 3.34Å; I727-S729 PolarHBondContact O-N 3.22Å; I727-A730 PolarHBondContact O-N 2.96Å; I727-M731 HydrophobicContact CG2-CG 4.18Å; I727-M731 HydrophobicContact CG2-SD 3.89Å; I727-M731 VanDerWaalsContact O-CG 3.28Å; I727-M731 WeakPolarHBondContact O-CG 3.36Å; I727-M731 PolarHBondContact O-N 2.88Å |
| 728 | T | 84.3 | Confident | 77.5 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | -179.8 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | F687 L690 L691 M694 S724 S725 M731 I732 I784 | F687-T728 HydrophobicContact CD2-CG2 3.95Å; F687-T728 HydrophobicContact CE2-CG2 3.26Å; F687-T728 HydrophobicContact CZ-CG2 3.63Å; L690-T728 WeakPolarHBondContact CB-OG1 3.15Å; L691-T728 HydrophobicContact CD2-CG2 4.37Å; M694-T728 HydrophobicContact CE-CG2 4.07Å; S724-T728 VanDerWaalsContact O-CB 3.31Å; S724-T728 WeakPolarHBondContact O-CB 3.37Å; S724-T728 PolarHBondContact O-N 3.25Å; S724-T728 PolarHBondContact O-OG1 2.87Å; S725-T728 WeakPolarHBondContact O-CB 3.44Å; S725-T728 PolarHBondContact O-N 3.42Å; T728-M731 PolarHBondContact O-N 3.47Å; T728-I732 HydrophobicContact CG2-CD1 4.4Å; T728-I732 WeakPolarHBondContact O-CG1 3.47Å; T728-I732 PolarHBondContact O-N 3.33Å; T728-I784 HydrophobicContact CG2-CD1 3.6Å; T728-I784 HydrophobicContact CG2-CG1 4.48Å |
| 729 | S | 79.8 | Confident | 77.7 | Confident | 65 Ų | 65 | 34 Ų | 34 | 46% | 0.455 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 177.2 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | S725 L726 I727 M731 I732 E733 | S725-S729 PolarHBondContact O-N 3.48Å; L726-S729 PolarHBondContact O-N 3.18Å; I727-S729 VanDerWaalsContact C-N 3.34Å; I727-S729 PolarHBondContact O-N 3.22Å; S729-M731 VanDerWaalsContact C-N 3.34Å; S729-M731 PolarHBondContact O-N 2.99Å; S729-I732 PolarHBondContact O-N 3.11Å; S729-E733 PolarHBondContact O-N 3.29Å |
| 730 | A | 82.3 | Confident | 77.8 | Confident | 22 Ų | 22 | 31.8 Ų | 31.8 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.4 | -35.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I635 V639 L726 I727 E733 S734 | I635-A730 HydrophobicContact CG2-CB 3.26Å; V639-A730 HydrophobicContact CG2-CB 4.21Å; L726-A730 WeakPolarHBondContact O-CB 3.05Å; L726-A730 PolarHBondContact O-N 2.89Å; I727-A730 PolarHBondContact O-N 2.96Å; A730-E733 PolarHBondContact O-N 3.28Å; A730-S734 WeakPolarHBondContact O-CB 3.36Å; A730-S734 PolarHBondContact O-N 3.4Å; A730-S734 PolarHBondContact O-OG 3.27Å |
| 731 | M | 83.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 174.7 | -73.5 | 178.3 | 70.4 | 0 | 0 | 110.7 | L642 H683 L686 F687 L690 I727 T728 S729 E733 S734 L735 I739 | L642-M731 HydrophobicContact CD1-CE 4.14Å; L642-M731 HydrophobicContact CD1-SD 4.49Å; H683-M731 WeakPolarHBondContact O-CE 3.1Å; L686-M731 HydrophobicContact CD2-CE 4.21Å; L686-M731 HydrophobicContact CD2-SD 4.09Å; L686-M731 HydrophobicContact CG-CE 4.46Å; L686-M731 HydrophobicContact CG-SD 4.35Å; F687-M731 HydrophobicContact CB-CE 3.89Å; F687-M731 HydrophobicContact CD2-CB 4.27Å; F687-M731 HydrophobicContact CD2-CE 4.18Å; F687-M731 HydrophobicContact CD2-SD 4.24Å; L690-M731 HydrophobicContact CD1-SD 3.93Å; I727-M731 HydrophobicContact CG2-CG 4.18Å; I727-M731 HydrophobicContact CG2-SD 3.89Å; I727-M731 VanDerWaalsContact O-CG 3.28Å; I727-M731 WeakPolarHBondContact O-CG 3.36Å; I727-M731 PolarHBondContact O-N 2.88Å; T728-M731 PolarHBondContact O-N 3.47Å; S729-M731 VanDerWaalsContact C-N 3.34Å; S729-M731 PolarHBondContact O-N 2.99Å; M731-E733 VanDerWaalsContact C-N 3.33Å; M731-E733 PolarHBondContact O-N 3.24Å; M731-S734 PolarHBondContact O-N 2.87Å; M731-S734 PolarHBondContact O-OG 2.83Å; M731-L735 HydrophobicContact CB-CD1 4.11Å; M731-L735 HydrophobicContact CE-CD1 3.99Å; M731-L735 HydrophobicContact CG-CD1 4.01Å; M731-L735 WeakPolarHBondContact O-CB 3.37Å; M731-L735 PolarHBondContact O-N 3.47Å; M731-I739 VanDerWaalsContact C-CD1 3.46Å; M731-I739 HydrophobicContact CB-CD1 3.9Å; M731-I739 WeakPolarHBondContact O-CD1 3.33Å |
| 732 | I | 78.6 | Confident | 77.1 | Confident | 33 Ų | 33 | 32.4 Ų | 32.4 | 17% | 0.169 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.8 | -43 | -179.3 | -68.9 | 163.1 | 0 | 0 | 0 | 112 | F687 T728 S729 S734 I739 I784 F787 | F687-I732 HydrophobicContact CE2-CD1 3.96Å; F687-I732 HydrophobicContact CE2-CG1 3.72Å; F687-I732 HydrophobicContact CZ-CD1 3.92Å; F687-I732 HydrophobicContact CZ-CG1 3.97Å; T728-I732 HydrophobicContact CG2-CD1 4.4Å; T728-I732 WeakPolarHBondContact O-CG1 3.47Å; T728-I732 PolarHBondContact O-N 3.33Å; S729-I732 PolarHBondContact O-N 3.11Å; I732-S734 VanDerWaalsContact C-N 3.27Å; I732-S734 PolarHBondContact O-N 3.43Å; I732-I739 HydrophobicContact CG1-CD1 4.25Å; I732-I784 HydrophobicContact CD1-CB 4.07Å; I732-I784 HydrophobicContact CD1-CD1 4.33Å; I732-I784 HydrophobicContact CD1-CG1 3.52Å; I732-I784 HydrophobicContact CD1-CG2 3.96Å; I732-F787 HydrophobicContact CG2-CB 4.35Å; I732-F787 HydrophobicContact CG2-CD2 3.76Å; I732-F787 HydrophobicContact CG2-CE2 4.32Å; I732-F787 HydrophobicContact CG2-CG 4.09Å |
| 733 | E | 77.6 | Confident | 77 | Confident | 175 Ų | 175 | 31.7 Ų | 31.7 | 82% | 0.818 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -66 | -31.6 | -179 | -170.8 | 176.8 | -179.5 | 0 | 0 | 112.6 | S729 A730 M731 | S729-E733 PolarHBondContact O-N 3.29Å; A730-E733 PolarHBondContact O-N 3.28Å; M731-E733 VanDerWaalsContact C-N 3.33Å; M731-E733 PolarHBondContact O-N 3.24Å |
| 734 | S | 74.8 | Confident | 76.7 | Confident | 48 Ų | 48 | 32.3 Ų | 32.3 | 34% | 0.336 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -108.6 | -30.5 | -166.5 | 57.7 | 0 | 0 | 0 | 0 | 115.4 | V639 A730 M731 I732 | V639-S734 WeakPolarHBondContact CG1-OG 3.49Å; A730-S734 WeakPolarHBondContact O-CB 3.36Å; A730-S734 PolarHBondContact O-N 3.4Å; A730-S734 PolarHBondContact O-OG 3.27Å; M731-S734 PolarHBondContact O-N 2.87Å; M731-S734 PolarHBondContact O-OG 2.83Å; I732-S734 VanDerWaalsContact C-N 3.27Å; I732-S734 PolarHBondContact O-N 3.43Å |
| 735 | L | 71.3 | Confident | 76.4 | Confident | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -105.9 | -14.3 | -171.4 | -63.7 | 171.2 | 0 | 0 | 0 | 113.4 | L642 M731 D737 L738 I739 | L642-L735 HydrophobicContact CB-CD1 4.09Å; L642-L735 HydrophobicContact CB-CD2 4.17Å; L642-L735 HydrophobicContact CD1-CD1 3.83Å; M731-L735 HydrophobicContact CB-CD1 4.11Å; M731-L735 HydrophobicContact CE-CD1 3.99Å; M731-L735 HydrophobicContact CG-CD1 4.01Å; M731-L735 WeakPolarHBondContact O-CB 3.37Å; M731-L735 PolarHBondContact O-N 3.47Å; L735-D737 PolarHBondContact O-N 3.05Å; L735-D737 VanDerWaalsContact O-N 3.07Å; L735-L738 HydrophobicContact CB-CB 4.27Å; L735-L738 HydrophobicContact CB-CD1 4.35Å; L735-L738 HydrophobicContact CD2-CD1 3.94Å; L735-L738 WeakPolarHBondContact O-CB 3.31Å; L735-L738 WeakPolarHBondContact O-CG 3.43Å; L735-L738 PolarHBondContact O-N 3.34Å; L735-I739 HydrophobicContact CB-CD1 4.07Å; L735-I739 HydrophobicContact CB-CG1 3.9Å |
| 736 | D | 73.2 | Confident | 76.2 | Confident | 42 Ų | 42 | 35.1 Ų | 35.1 | 23% | 0.225 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | 38 | -111.7 | 177.7 | -165.1 | 13.6 | 0 | 0 | 0 | 112 | L738 I739 F787 K791 | D736-L738 PolarHBondContact O-N 3.01Å; D736-I739 PolarHBondContact O-N 2.78Å; D736-F787 VanDerWaalsContact O-CZ 3.23Å; D736-F787 WeakPolarHBondContact O-CZ 3.49Å; D736-F787 WeakPolarHBondContact OD1-CE2 3.38Å; D736-F787 WeakPolarHBondContact OD1-CZ 3.31Å; D736-K791 WeakPolarHBondContact OD1-CE 3.48Å; D736-K791 IonicContact OD1-NZ 3.88Å; D736-K791 PolarHBondContact OD1-NZ 3.24Å; D736-K791 IonicContact OD2-NZ 2.99Å; D736-K791 PolarHBondContact OD2-NZ 3.49Å |
| 737 | D | 67.7 | Low | 76.1 | Confident | 13 Ų | 13 | 31.2 Ų | 31.2 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -63.9 | -15.6 | -172.8 | -75.1 | -11.7 | 0 | 0 | 0 | 115.6 | Q658 V659 L735 I739 K791 | Q658-D737 WeakPolarHBondContact CA-OD2 3.46Å; Q658-D737 HydrophobicContact CB-CB 3.95Å; Q658-D737 WeakPolarHBondContact CB-OD2 3.47Å; V659-D737 VanDerWaalsContact CG2-OD2 3.24Å; V659-D737 WeakPolarHBondContact CG2-OD2 3.3Å; V659-D737 PolarHBondContact N-OD2 2.93Å; L735-D737 PolarHBondContact O-N 3.05Å; L735-D737 VanDerWaalsContact O-N 3.07Å; D737-I739 PolarHBondContact O-N 3.47Å; D737-K791 WeakPolarHBondContact OD1-CD 3.21Å; D737-K791 WeakPolarHBondContact OD1-CE 3.31Å; D737-K791 IonicContact OD1-NZ 2.74Å; D737-K791 PolarHBondContact OD1-NZ 3.39Å; D737-K791 IonicContact OD2-NZ 2.63Å |
| 738 | L | 69.4 | Low | 76 | Confident | 9 Ų | 9 | 31.1 Ų | 31.1 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -71.6 | -11.6 | -178.5 | -62.9 | 166.7 | 0 | 0 | 0 | 113.5 | S646 F650 H683 L735 D736 | S646-L738 VanDerWaalsContact OG-CD1 3.31Å; S646-L738 WeakPolarHBondContact OG-CD1 3.24Å; F650-L738 HydrophobicContact CD1-CD2 4.04Å; F650-L738 HydrophobicContact CD2-CD2 4.32Å; F650-L738 HydrophobicContact CE1-CD2 4.28Å; F650-L738 HydrophobicContact CG-CD2 4.07Å; H683-L738 WeakPolarHBondContact CB-O 3.28Å; L735-L738 HydrophobicContact CB-CB 4.27Å; L735-L738 HydrophobicContact CB-CD1 4.35Å; L735-L738 HydrophobicContact CD2-CD1 3.94Å; L735-L738 WeakPolarHBondContact O-CB 3.31Å; L735-L738 WeakPolarHBondContact O-CG 3.43Å; L735-L738 PolarHBondContact O-N 3.34Å; D736-L738 PolarHBondContact O-N 3.01Å |
| 739 | I | 74.9 | Confident | 75.9 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -95.8 | 10.5 | -175.7 | -41.7 | 177.5 | 0 | 0 | 0 | 112.1 | F687 M731 I732 L735 D736 D737 Y788 | F687-I739 HydrophobicContact CB-CG2 3.38Å; F687-I739 HydrophobicContact CD1-CG2 3.36Å; F687-I739 HydrophobicContact CD2-CD1 4.26Å; F687-I739 HydrophobicContact CD2-CG2 3.3Å; F687-I739 HydrophobicContact CE1-CG2 3.85Å; F687-I739 HydrophobicContact CE2-CD1 4.27Å; F687-I739 HydrophobicContact CE2-CG2 3.78Å; F687-I739 HydrophobicContact CG-CG2 3.04Å; F687-I739 HydrophobicContact CZ-CG2 4.03Å; M731-I739 VanDerWaalsContact C-CD1 3.46Å; M731-I739 HydrophobicContact CB-CD1 3.9Å; M731-I739 WeakPolarHBondContact O-CD1 3.33Å; I732-I739 HydrophobicContact CG1-CD1 4.25Å; L735-I739 HydrophobicContact CB-CD1 4.07Å; L735-I739 HydrophobicContact CB-CG1 3.9Å; D736-I739 PolarHBondContact O-N 2.78Å; D737-I739 PolarHBondContact O-N 3.47Å; I739-Y788 PolarHBondContact O-OH 3.47Å |
| 740 | W | 73.9 | Confident | 76 | Confident | 38 Ų | 38 | 31.1 Ų | 31.1 | 14% | 0.144 | 16% | 0.164 | C | C | . | . | trans | -67.7 | 125.4 | -179.6 | -164.3 | -93 | 0 | 0 | 0 | 111.3 | S684 I744 Y788 K791 L792 A803 F807 | S684-W740 VanDerWaalsContact CB-O 3.3Å; S684-W740 WeakPolarHBondContact CB-O 3.26Å; W740-I744 HydrophobicContact CZ2-CD1 4.18Å; W740-I744 HydrophobicContact CZ2-CG1 4.37Å; W740-Y788 AromaticContact CE3-CD1 3.76Å; W740-Y788 HydrophobicContact CE3-CD1 3.76Å; W740-Y788 HydrophobicContact CE3-CE1 4.06Å; W740-Y788 HydrophobicContact CH2-CD1 4.38Å; W740-Y788 AromaticContact CZ3-CD1 3.61Å; W740-Y788 HydrophobicContact CZ3-CD1 3.61Å; W740-Y788 HydrophobicContact CZ3-CE1 4.37Å; W740-K791 HydrophobicContact CZ3-CB 3.96Å; W740-L792 HydrophobicContact CH2-CD2 4.08Å; W740-A803 HydrophobicContact CZ2-CB 4.48Å; W740-F807 HydrophobicContact CH2-CE2 4.02Å; W740-F807 HydrophobicContact CZ2-CE2 4.23Å | ||
| 741 | P | 72 | Confident | 76.2 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.013 | 16% | 0.156 | C | C | . | . | trans | -69.3 | 143.5 | -178.1 | 29.1 | -35.1 | 0 | 0 | 0 | 111 | L688 I744 A747 Y788 | L688-P741 HydrophobicContact CD1-CB 4.07Å; L688-P741 HydrophobicContact CD2-CB 4.49Å; P741-I744 HydrophobicContact CG-CG1 4.3Å; P741-A747 HydrophobicContact CB-CB 4.06Å; P741-A747 HydrophobicContact CG-CB 3.86Å; P741-Y788 HydrophobicContact CG-CE1 4.46Å | ||
| 742 | Q | 67.1 | Low | 76.2 | Confident | 58 Ų | 58 | 33.7 Ų | 33.7 | 27% | 0.271 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -68.1 | -40.8 | 172.6 | -68.1 | -170.6 | -56.2 | 0 | 0 | 112 | R532 E556 L666 T681 | R532-Q742 VanDerWaalsContact NH1-OE1 3.17Å; E556-Q742 PolarHBondContact OE2-OE1 3.13Å; L666-Q742 HydrophobicContact CD2-CG 4.45Å; T681-Q742 HydrophobicContact CG2-CG 4.11Å |
| 743 | D | 73.4 | Confident | 76.4 | Confident | 43 Ų | 43 | 33.6 Ų | 33.6 | 23% | 0.23 | 18% | 0.177 | C | C | . | . | trans | -111.4 | 94.4 | 177.3 | -169 | -14.7 | 0 | 0 | 0 | 110.3 | S745 Q746 A747 | D743-S745 PolarHBondContact O-N 3.15Å; D743-S745 WeakPolarHBondContact OD1-CB 3.14Å; D743-S745 PolarHBondContact OD1-N 3.33Å; D743-S745 VanDerWaalsContact OD1-N 3.16Å; D743-S745 PolarHBondContact OD1-OG 3.28Å; D743-Q746 HydrophobicContact CB-CB 4.42Å; D743-Q746 HydrophobicContact CB-CG 4.27Å; D743-Q746 PolarHBondContact O-N 2.71Å; D743-Q746 VanDerWaalsContact OD2-CD 3.27Å; D743-Q746 WeakPolarHBondContact OD2-CG 3.45Å; D743-Q746 PolarHBondContact OD2-NE2 3.26Å; D743-A747 PolarHBondContact O-N 3.48Å | ||
| 744 | I | 76.5 | Confident | 76.6 | Confident | 30 Ų | 30 | 25.4 Ų | 25.4 | 15% | 0.154 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -32.2 | -178 | -64 | 155.1 | 0 | 0 | 0 | 111.3 | W740 P741 Q746 A747 C748 A803 E806 F807 | W740-I744 HydrophobicContact CZ2-CD1 4.18Å; W740-I744 HydrophobicContact CZ2-CG1 4.37Å; P741-I744 HydrophobicContact CG-CG1 4.3Å; I744-Q746 VanDerWaalsContact C-N 3.28Å; I744-Q746 PolarHBondContact O-N 3.41Å; I744-A747 PolarHBondContact O-N 2.99Å; I744-C748 PolarHBondContact O-N 2.9Å; I744-C748 PolarHBondContact O-SG 2.9Å; I744-A803 HydrophobicContact CD1-CB 3.54Å; I744-E806 HydrophobicContact CG2-CB 4Å; I744-F807 HydrophobicContact CG2-CD2 3.91Å; I744-F807 HydrophobicContact CG2-CE2 3.56Å; I744-F807 HydrophobicContact CG2-CZ 4.19Å |
| 745 | S | 77.6 | Confident | 77.2 | Confident | 36 Ų | 36 | 23.1 Ų | 23.1 | 25% | 0.252 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -63.2 | -39 | -178.2 | 76.6 | 0 | 0 | 0 | 0 | 111.2 | D743 C748 N749 R809 | D743-S745 PolarHBondContact O-N 3.15Å; D743-S745 WeakPolarHBondContact OD1-CB 3.14Å; D743-S745 PolarHBondContact OD1-N 3.33Å; D743-S745 VanDerWaalsContact OD1-N 3.16Å; D743-S745 PolarHBondContact OD1-OG 3.28Å; S745-C748 PolarHBondContact O-N 3.31Å; S745-N749 PolarHBondContact O-N 2.92Å; S745-N749 PolarHBondContact O-ND2 2.91Å; S745-N749 PolarHBondContact O-OD1 2.74Å; S745-R809 PolarHBondContact O-NH2 3.43Å |
| 746 | Q | 75.7 | Confident | 77.8 | Confident | 30 Ų | 30 | 26.8 Ų | 26.8 | 14% | 0.14 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -74.7 | -38.5 | 179.2 | -65.9 | -173.1 | 20.4 | 0 | 0 | 112.6 | M553 D743 I744 C748 N749 L750 | M553-Q746 PolarHBondContact O-OE1 3.18Å; D743-Q746 HydrophobicContact CB-CB 4.42Å; D743-Q746 HydrophobicContact CB-CG 4.27Å; D743-Q746 PolarHBondContact O-N 2.71Å; D743-Q746 VanDerWaalsContact OD2-CD 3.27Å; D743-Q746 WeakPolarHBondContact OD2-CG 3.45Å; D743-Q746 PolarHBondContact OD2-NE2 3.26Å; I744-Q746 VanDerWaalsContact C-N 3.28Å; I744-Q746 PolarHBondContact O-N 3.41Å; Q746-C748 VanDerWaalsContact C-N 3.28Å; Q746-C748 PolarHBondContact O-N 2.89Å; Q746-N749 PolarHBondContact O-N 3.43Å; Q746-L750 PolarHBondContact O-N 2.84Å |
| 747 | A | 79.8 | Confident | 78.1 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.1 | -43.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L688 P741 D743 I744 L750 F751 | L688-A747 HydrophobicContact CD2-CB 4.02Å; P741-A747 HydrophobicContact CB-CB 4.06Å; P741-A747 HydrophobicContact CG-CB 3.86Å; D743-A747 PolarHBondContact O-N 3.48Å; I744-A747 PolarHBondContact O-N 2.99Å; A747-L750 WeakPolarHBondContact O-CB 3.39Å; A747-L750 PolarHBondContact O-N 3.31Å; A747-F751 WeakPolarHBondContact O-CD2 3.43Å; A747-F751 PolarHBondContact O-N 3.15Å |
| 748 | C | 82.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 175.5 | -66 | 0 | 0 | 0 | 0 | 112.2 | I744 S745 Q746 L750 F751 E752 | I744-C748 PolarHBondContact O-N 2.9Å; I744-C748 PolarHBondContact O-SG 2.9Å; S745-C748 PolarHBondContact O-N 3.31Å; Q746-C748 VanDerWaalsContact C-N 3.28Å; Q746-C748 PolarHBondContact O-N 2.89Å; C748-L750 VanDerWaalsContact C-N 3.27Å; C748-L750 PolarHBondContact O-N 2.78Å; C748-F751 PolarHBondContact O-N 3.35Å; C748-E752 WeakPolarHBondContact O-CB 3.47Å; C748-E752 PolarHBondContact O-N 3.41Å |
| 749 | N | 82.5 | Confident | 79.2 | Confident | 65 Ų | 65 | 26 Ų | 26 | 35% | 0.348 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.2 | -36.4 | 176.8 | -63.9 | -16.9 | 0 | 0 | 0 | 111.8 | S745 Q746 E752 A753 R809 | S745-N749 PolarHBondContact O-N 2.92Å; S745-N749 PolarHBondContact O-ND2 2.91Å; S745-N749 PolarHBondContact O-OD1 2.74Å; Q746-N749 PolarHBondContact O-N 3.43Å; N749-E752 PolarHBondContact O-N 3.49Å; N749-A753 WeakPolarHBondContact O-CB 3.28Å; N749-A753 PolarHBondContact O-N 3.29Å; N749-R809 PolarHBondContact OD1-NH1 3.32Å; N749-R809 PolarHBondContact OD1-NH2 3.25Å |
| 750 | L | 82 | Confident | 79.4 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66 | -45.6 | 174.5 | 179.4 | 59.7 | 0 | 0 | 0 | 111.7 | L552 L688 L691 T692 H695 Q746 A747 C748 E752 A753 L754 | L552-L750 HydrophobicContact CB-CD1 4.42Å; L552-L750 HydrophobicContact CD1-CD1 3.67Å; L688-L750 HydrophobicContact CD2-CD2 4.5Å; L691-L750 HydrophobicContact CB-CD2 3.48Å; L691-L750 VanDerWaalsContact CB-CD2 3.48Å; L691-L750 HydrophobicContact CB-CG 4.37Å; L691-L750 HydrophobicContact CD1-CD2 4.27Å; T692-L750 HydrophobicContact CG2-CD1 3.95Å; T692-L750 HydrophobicContact CG2-CD2 3.89Å; H695-L750 HydrophobicContact CB-CD1 4.14Å; Q746-L750 PolarHBondContact O-N 2.84Å; A747-L750 WeakPolarHBondContact O-CB 3.39Å; A747-L750 PolarHBondContact O-N 3.31Å; C748-L750 VanDerWaalsContact C-N 3.27Å; C748-L750 PolarHBondContact O-N 2.78Å; L750-E752 PolarHBondContact O-N 3.02Å; L750-A753 PolarHBondContact O-N 3.24Å; L750-L754 HydrophobicContact CD1-CD1 4.28Å; L750-L754 HydrophobicContact CD1-CG 4.43Å; L750-L754 HydrophobicContact CG-CD1 4.1Å; L750-L754 WeakPolarHBondContact O-CB 3.37Å; L750-L754 VanDerWaalsContact O-CG 3.31Å; L750-L754 WeakPolarHBondContact O-CG 3.37Å; L750-L754 PolarHBondContact O-N 3.07Å |
| 751 | F | 85.1 | Confident | 79.5 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 173.6 | -80.5 | -64.4 | 0 | 0 | 0 | 112.2 | L691 A747 C748 A753 L754 F755 I784 L785 Y788 L810 | L691-F751 HydrophobicContact CD1-CZ 4.4Å; A747-F751 WeakPolarHBondContact O-CD2 3.43Å; A747-F751 PolarHBondContact O-N 3.15Å; C748-F751 PolarHBondContact O-N 3.35Å; F751-A753 PolarHBondContact O-N 2.64Å; F751-L754 PolarHBondContact O-N 3.16Å; F751-F755 HydrophobicContact CB-CD2 4.21Å; F751-F755 HydrophobicContact CB-CE2 3.99Å; F751-F755 AromaticContact CD1-CE2 3.73Å; F751-F755 HydrophobicContact CD1-CE2 3.73Å; F751-F755 HydrophobicContact CD1-CZ 4.19Å; F751-F755 HydrophobicContact CG-CE2 4.25Å; F751-F755 WeakPolarHBondContact O-CD2 3.36Å; F751-F755 PolarHBondContact O-N 3.36Å; F751-I784 HydrophobicContact CE1-CB 4.47Å; F751-I784 HydrophobicContact CE1-CG2 4.23Å; F751-I784 HydrophobicContact CZ-CG2 3.83Å; F751-L785 HydrophobicContact CD2-CD1 4.3Å; F751-L785 HydrophobicContact CE1-CB 4.37Å; F751-L785 HydrophobicContact CE2-CD1 4.41Å; F751-L785 HydrophobicContact CG-CD1 4.38Å; F751-Y788 AromaticContact CE2-CD2 3.92Å; F751-Y788 HydrophobicContact CE2-CD2 3.92Å; F751-Y788 AromaticContact CE2-CE2 4Å; F751-Y788 HydrophobicContact CE2-CE2 4Å; F751-Y788 AromaticContact CZ-CD2 3.96Å; F751-Y788 HydrophobicContact CZ-CD2 3.96Å; F751-Y788 AromaticContact CZ-CE2 3.98Å; F751-Y788 HydrophobicContact CZ-CE2 3.98Å; F751-L810 HydrophobicContact CB-CD1 4.02Å; F751-L810 HydrophobicContact CB-CD2 4.06Å |
| 752 | E | 85.3 | Confident | 79.8 | Confident | 76 Ų | 76 | 25.5 Ų | 25.5 | 36% | 0.355 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -59.8 | -47.3 | 177.3 | -168 | 177.9 | 175.3 | 0 | 0 | 110.8 | C748 N749 L750 L754 H756 L810 I813 | C748-E752 WeakPolarHBondContact O-CB 3.47Å; C748-E752 PolarHBondContact O-N 3.41Å; N749-E752 PolarHBondContact O-N 3.49Å; L750-E752 PolarHBondContact O-N 3.02Å; E752-L754 PolarHBondContact O-N 2.75Å; E752-H756 WeakPolarHBondContact O-CB 3.34Å; E752-H756 PolarHBondContact O-N 3.47Å; E752-L810 HydrophobicContact CB-CD2 3.96Å; E752-I813 HydrophobicContact CG-CD1 3.79Å; E752-I813 WeakPolarHBondContact O-CD1 3.36Å |
| 753 | A | 81.8 | Confident | 80.3 | Confident | 31 Ų | 31 | 27.9 Ų | 27.9 | 26% | 0.256 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -62 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N749 L750 F751 R757 | N749-A753 WeakPolarHBondContact O-CB 3.28Å; N749-A753 PolarHBondContact O-N 3.29Å; L750-A753 PolarHBondContact O-N 3.24Å; F751-A753 PolarHBondContact O-N 2.64Å; A753-R757 WeakPolarHBondContact O-CB 3.44Å; A753-R757 PolarHBondContact O-N 3.36Å |
| 754 | L | 82.1 | Confident | 80.3 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.4 | -56.9 | 176.1 | -79.5 | 167.5 | 0 | 0 | 0 | 111.4 | L691 H695 F698 L750 F751 E752 H756 R757 F758 L781 | L691-L754 HydrophobicContact CD2-CD1 4.5Å; H695-L754 HydrophobicContact CB-CD2 3.62Å; H695-L754 HydrophobicContact CB-CG 4.17Å; F698-L754 HydrophobicContact CD2-CD2 3.73Å; F698-L754 HydrophobicContact CE2-CD2 3.97Å; L750-L754 HydrophobicContact CD1-CD1 4.28Å; L750-L754 HydrophobicContact CD1-CG 4.43Å; L750-L754 HydrophobicContact CG-CD1 4.1Å; L750-L754 WeakPolarHBondContact O-CB 3.37Å; L750-L754 VanDerWaalsContact O-CG 3.31Å; L750-L754 WeakPolarHBondContact O-CG 3.37Å; L750-L754 PolarHBondContact O-N 3.07Å; F751-L754 PolarHBondContact O-N 3.16Å; E752-L754 PolarHBondContact O-N 2.75Å; L754-H756 VanDerWaalsContact C-N 3.32Å; L754-H756 PolarHBondContact O-N 3.3Å; L754-R757 PolarHBondContact O-N 2.89Å; L754-F758 VanDerWaalsContact O-CB 3.31Å; L754-F758 WeakPolarHBondContact O-CB 3.36Å; L754-F758 PolarHBondContact O-N 3.02Å; L754-L781 HydrophobicContact CD1-CD2 4.08Å |
| 755 | F | 86.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.3 | -33.2 | -178.4 | -67 | -57 | 0 | 0 | 0 | 112.8 | F751 F758 S759 L778 L781 L782 L785 I813 L814 L817 | F751-F755 HydrophobicContact CB-CD2 4.21Å; F751-F755 HydrophobicContact CB-CE2 3.99Å; F751-F755 AromaticContact CD1-CE2 3.73Å; F751-F755 HydrophobicContact CD1-CE2 3.73Å; F751-F755 HydrophobicContact CD1-CZ 4.19Å; F751-F755 HydrophobicContact CG-CE2 4.25Å; F751-F755 WeakPolarHBondContact O-CD2 3.36Å; F751-F755 PolarHBondContact O-N 3.36Å; F755-F758 PolarHBondContact O-N 2.88Å; F755-S759 WeakPolarHBondContact O-CB 3.22Å; F755-S759 PolarHBondContact O-N 3.41Å; F755-S759 PolarHBondContact O-OG 3.45Å; F755-L778 HydrophobicContact CD1-CD1 4.18Å; F755-L778 HydrophobicContact CE1-CD1 4.09Å; F755-L781 HydrophobicContact CE1-CB 4.01Å; F755-L781 HydrophobicContact CZ-CB 4.3Å; F755-L782 HydrophobicContact CE1-CD2 4.01Å; F755-L782 HydrophobicContact CE1-CG 4.41Å; F755-L782 HydrophobicContact CZ-CD2 4.18Å; F755-L785 HydrophobicContact CE2-CD2 3.79Å; F755-L785 HydrophobicContact CZ-CB 4.38Å; F755-L785 HydrophobicContact CZ-CD2 4.03Å; F755-I813 HydrophobicContact CB-CG1 4.32Å; F755-I813 HydrophobicContact CB-CG2 4.09Å; F755-L814 HydrophobicContact CD2-CD2 4.19Å; F755-L814 HydrophobicContact CE2-CD2 4.24Å; F755-L814 HydrophobicContact CG-CD2 4.38Å; F755-L814 HydrophobicContact CZ-CD2 4.44Å; F755-L817 HydrophobicContact CB-CD1 4.26Å; F755-L817 HydrophobicContact CD1-CD1 3.95Å |
| 756 | H | 85 | Confident | 79.2 | Confident | 84 Ų | 84 | 37.6 Ų | 37.6 | 39% | 0.389 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.8 | -52.9 | 171.8 | -170.8 | -90.4 | 0 | 0 | 0 | 110.8 | E752 L754 F758 S759 C760 I813 K816 | E752-H756 WeakPolarHBondContact O-CB 3.34Å; E752-H756 PolarHBondContact O-N 3.47Å; L754-H756 VanDerWaalsContact C-N 3.32Å; L754-H756 PolarHBondContact O-N 3.3Å; H756-F758 VanDerWaalsContact C-N 3.3Å; H756-F758 PolarHBondContact O-N 2.87Å; H756-S759 WeakPolarHBondContact O-CB 3.42Å; H756-S759 PolarHBondContact O-N 3.15Å; H756-C760 PolarHBondContact O-N 3.34Å; H756-C760 VanDerWaalsContact O-N 3.14Å; H756-C760 PolarHBondContact O-SG 2.9Å; H756-I813 HydrophobicContact CB-CD1 3.59Å; H756-K816 PolarHBondContact NE2-NZ 3.34Å |
| 757 | R | 78.7 | Confident | 78.8 | Confident | 48 Ų | 48 | 40.1 Ų | 40.1 | 18% | 0.181 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | -178.2 | -170.5 | 58.9 | 162.3 | -162.2 | -11.8 | 111.3 | F698 Q699 F702 A753 L754 C760 L761 | F698-R757 HydrophobicContact CB-CG 4.48Å; Q699-R757 PolarHBondContact O-NH2 3.08Å; F702-R757 VanDerWaalsContact CB-CZ 3.47Å; F702-R757 VanDerWaalsContact CE1-NH1 3.33Å; A753-R757 WeakPolarHBondContact O-CB 3.44Å; A753-R757 PolarHBondContact O-N 3.36Å; L754-R757 PolarHBondContact O-N 2.89Å; R757-C760 WeakPolarHBondContact O-CB 3.16Å; R757-C760 PolarHBondContact O-N 3.3Å; R757-L761 HydrophobicContact CG-CD1 4.47Å; R757-L761 PolarHBondContact O-N 3.46Å |
| 758 | F | 79.5 | Confident | 78.1 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.5 | -44.9 | 175.9 | -153 | -81.1 | 0 | 0 | 0 | 112.2 | F698 L754 F755 H756 C760 L761 L762 L774 M777 L778 L781 L817 | F698-F758 HydrophobicContact CE1-CE2 4.33Å; L754-F758 VanDerWaalsContact O-CB 3.31Å; L754-F758 WeakPolarHBondContact O-CB 3.36Å; L754-F758 PolarHBondContact O-N 3.02Å; F755-F758 PolarHBondContact O-N 2.88Å; H756-F758 VanDerWaalsContact C-N 3.3Å; H756-F758 PolarHBondContact O-N 2.87Å; F758-C760 VanDerWaalsContact C-N 3.29Å; F758-C760 PolarHBondContact O-N 2.79Å; F758-L761 PolarHBondContact O-N 3.1Å; F758-L762 HydrophobicContact CD1-CD1 3.7Å; F758-L762 HydrophobicContact CD1-CG 4.04Å; F758-L762 HydrophobicContact CE1-CD1 3.59Å; F758-L762 HydrophobicContact CE1-CD2 4.26Å; F758-L762 HydrophobicContact CE1-CG 3.7Å; F758-L762 PolarHBondContact O-N 3.41Å; F758-L774 HydrophobicContact CE1-CB 4.2Å; F758-L774 HydrophobicContact CE2-CB 4.41Å; F758-L774 HydrophobicContact CE2-CD2 3.71Å; F758-L774 VanDerWaalsContact CZ-C 3.45Å; F758-L774 HydrophobicContact CZ-CB 3.56Å; F758-L774 HydrophobicContact CZ-CD2 3.64Å; F758-L774 HydrophobicContact CZ-CG 4.17Å; F758-L774 WeakPolarHBondContact CZ-O 3.36Å; F758-M777 HydrophobicContact CE2-CB 4.17Å; F758-L778 HydrophobicContact CD1-CB 4.22Å; F758-L778 HydrophobicContact CD1-CD1 3.96Å; F758-L778 HydrophobicContact CD1-CD2 4.32Å; F758-L778 HydrophobicContact CD1-CG 4.39Å; F758-L778 HydrophobicContact CE1-CB 3.62Å; F758-L778 HydrophobicContact CE1-CD1 4.22Å; F758-L778 HydrophobicContact CE1-CD2 4.04Å; F758-L778 HydrophobicContact CE1-CG 4.17Å; F758-L778 HydrophobicContact CE2-CB 4.3Å; F758-L778 HydrophobicContact CG-CD1 4.36Å; F758-L778 HydrophobicContact CZ-CB 3.71Å; F758-L781 HydrophobicContact CD2-CD1 4.38Å; F758-L817 HydrophobicContact CD1-CD1 4.42Å |
| 759 | S | 81.4 | Confident | 77.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 175.6 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | F755 H756 Q763 | F755-S759 WeakPolarHBondContact O-CB 3.22Å; F755-S759 PolarHBondContact O-N 3.41Å; F755-S759 PolarHBondContact O-OG 3.45Å; H756-S759 WeakPolarHBondContact O-CB 3.42Å; H756-S759 PolarHBondContact O-N 3.15Å; S759-Q763 WeakPolarHBondContact O-CG 3.22Å; S759-Q763 PolarHBondContact O-N 3.14Å |
| 760 | C | 79.5 | Confident | 76.5 | Confident | 22 Ų | 22 | 52.8 Ų | 52.8 | 15% | 0.149 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 174.6 | -67 | 0 | 0 | 0 | 0 | 112 | F702 H756 R757 F758 Q763 H764 | F702-C760 HydrophobicContact CE2-CB 3.96Å; H756-C760 PolarHBondContact O-N 3.34Å; H756-C760 VanDerWaalsContact O-N 3.14Å; H756-C760 PolarHBondContact O-SG 2.9Å; R757-C760 WeakPolarHBondContact O-CB 3.16Å; R757-C760 PolarHBondContact O-N 3.3Å; F758-C760 VanDerWaalsContact C-N 3.29Å; F758-C760 PolarHBondContact O-N 2.79Å; C760-Q763 PolarHBondContact O-N 3.26Å; C760-H764 PolarHBondContact O-N 2.63Å; C760-H764 PolarHBondContact O-ND1 3.11Å |
| 761 | L | 76.3 | Confident | 76 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 178.2 | -82.4 | 164.9 | 0 | 0 | 0 | 112.1 | F698 I701 F702 R757 F758 Q763 H764 A765 L774 | F698-L761 HydrophobicContact CB-CD1 4.17Å; F698-L761 HydrophobicContact CD1-CD1 4.35Å; I701-L761 HydrophobicContact CG2-CD2 4.39Å; F702-L761 HydrophobicContact CB-CD2 3.7Å; F702-L761 HydrophobicContact CB-CG 4.19Å; F702-L761 HydrophobicContact CD2-CD2 3.77Å; F702-L761 HydrophobicContact CD2-CG 3.95Å; F702-L761 HydrophobicContact CG-CD2 4.24Å; R757-L761 HydrophobicContact CG-CD1 4.47Å; R757-L761 PolarHBondContact O-N 3.46Å; F758-L761 PolarHBondContact O-N 3.1Å; L761-Q763 VanDerWaalsContact C-N 3.25Å; L761-Q763 PolarHBondContact O-N 3.25Å; L761-H764 PolarHBondContact O-N 3.06Å; L761-H764 VanDerWaalsContact O-N 3.11Å; L761-A765 WeakPolarHBondContact O-CB 3.32Å; L761-A765 PolarHBondContact O-N 2.98Å; L761-L774 HydrophobicContact CB-CD1 4.12Å; L761-L774 HydrophobicContact CB-CD2 4.19Å; L761-L774 HydrophobicContact CD1-CD2 4.12Å |
| 762 | L | 77.1 | Confident | 75.3 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.5 | -34.2 | 177.5 | -81.2 | 169.9 | 0 | 0 | 0 | 113 | F758 H764 L774 Y775 V820 I821 | F758-L762 HydrophobicContact CD1-CD1 3.7Å; F758-L762 HydrophobicContact CD1-CG 4.04Å; F758-L762 HydrophobicContact CE1-CD1 3.59Å; F758-L762 HydrophobicContact CE1-CD2 4.26Å; F758-L762 HydrophobicContact CE1-CG 3.7Å; F758-L762 PolarHBondContact O-N 3.41Å; L762-H764 VanDerWaalsContact C-N 3.31Å; L762-H764 PolarHBondContact O-N 3.04Å; L762-L774 HydrophobicContact CD2-CB 4.39Å; L762-Y775 HydrophobicContact CD1-CE1 4.41Å; L762-Y775 HydrophobicContact CD2-CD1 4.19Å; L762-Y775 HydrophobicContact CD2-CE1 3.7Å; L762-V820 HydrophobicContact CB-CG1 3.94Å; L762-I821 HydrophobicContact CD1-CG1 3.94Å |
| 763 | Q | 78.1 | Confident | 74.5 | Confident | 108 Ų | 108 | 58 Ų | 58 | 51% | 0.505 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71.4 | -23.2 | 178.1 | -73.2 | 177.9 | -26.2 | 0 | 0 | 113.8 | S759 C760 L761 V820 | S759-Q763 WeakPolarHBondContact O-CG 3.22Å; S759-Q763 PolarHBondContact O-N 3.14Å; C760-Q763 PolarHBondContact O-N 3.26Å; L761-Q763 VanDerWaalsContact C-N 3.25Å; L761-Q763 PolarHBondContact O-N 3.25Å; Q763-V820 HydrophobicContact CG-CG1 3.66Å; Q763-V820 HydrophobicContact CG-CG2 4.11Å; Q763-V820 VanDerWaalsContact NE2-CG2 3.35Å |
| 764 | H | 72.8 | Confident | 74.1 | Confident | 106 Ų | 106 | 56.9 Ų | 56.9 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -108.8 | -6.8 | -174.8 | -63.4 | 75.7 | 0 | 0 | 0 | 113.1 | C760 L761 L762 E766 | C760-H764 PolarHBondContact O-N 2.63Å; C760-H764 PolarHBondContact O-ND1 3.11Å; L761-H764 PolarHBondContact O-N 3.06Å; L761-H764 VanDerWaalsContact O-N 3.11Å; L762-H764 VanDerWaalsContact C-N 3.31Å; L762-H764 PolarHBondContact O-N 3.04Å; H764-E766 PolarHBondContact O-N 3.1Å |
| 765 | A | 67.4 | Low | 73.9 | Confident | 16 Ų | 16 | 58 Ų | 58 | 13% | 0.132 | 28% | 0.275 | C | S | . | . | trans | -79.9 | 104 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L761 V771 L774 | L761-A765 WeakPolarHBondContact O-CB 3.32Å; L761-A765 PolarHBondContact O-N 2.98Å; A765-V771 HydrophobicContact CB-CG2 3.65Å; A765-L774 HydrophobicContact CB-CD1 3.98Å | ||
| 766 | E | 63.4 | Low | 73.3 | Confident | 191 Ų | 191 | 63.2 Ų | 63.2 | 89% | 0.893 | 30% | 0.299 | S | S | * | . | trans | -86.3 | -20.7 | 176.8 | -63.2 | -174.8 | 170.6 | 0 | 0 | 113.3 | H764 | H764-E766 PolarHBondContact O-N 3.1Š| ||
| 767 | N | 67.2 | Low | 72.7 | Confident | 83 Ų | 83 | 60 Ų | 60 | 44% | 0.444 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -95.6 | 131 | -172.6 | -157.3 | 0.3 | 0 | 0 | 0 | 112.1 | E769 H770 V771 | N767-E769 VanDerWaalsContact C-N 3.34Å; N767-E769 PolarHBondContact O-N 3.29Å; N767-H770 HydrophobicContact CB-CB 4.42Å; N767-H770 PolarHBondContact O-N 3.2Å; N767-H770 VanDerWaalsContact O-N 3.16Å; N767-V771 WeakPolarHBondContact O-CG2 3.33Å; N767-V771 PolarHBondContact O-N 3.35Å; N767-V771 VanDerWaalsContact O-N 3.1Å |
| 768 | H | 66.3 | Low | 72.8 | Confident | 105 Ų | 105 | 57.8 Ų | 57.8 | 49% | 0.486 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.7 | -41.3 | -174.1 | -170.3 | -74.1 | 0 | 0 | 0 | 113 | H770 V771 E772 H826 | H768-H770 PolarHBondContact O-N 3Å; H768-V771 PolarHBondContact O-N 3.16Å; H768-E772 IonicContact CE1-OE2 3.73Å; H768-E772 IonicContact ND1-OE2 3.69Å; H768-E772 PolarHBondContact O-N 2.74Å; H768-H826 AromaticContact CD2-CE1 3.56Å; H768-H826 AromaticContact CD2-ND1 3.63Å; H768-H826 AromaticContact NE2-ND1 3.96Å |
| 769 | E | 64.4 | Low | 73 | Confident | 143 Ų | 143 | 59.8 Ų | 59.8 | 67% | 0.668 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66 | -37.1 | 180 | -65.1 | -177.9 | 171.9 | 0 | 0 | 112.3 | N767 E772 F773 | N767-E769 VanDerWaalsContact C-N 3.34Å; N767-E769 PolarHBondContact O-N 3.29Å; E769-E772 PolarHBondContact O-N 3.11Å; E769-F773 WeakPolarHBondContact O-CB 3.37Å; E769-F773 PolarHBondContact O-N 3.25Å |
| 770 | H | 66.7 | Low | 72.8 | Confident | 83 Ų | 83 | 63.2 Ų | 63.2 | 38% | 0.384 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.7 | -39.1 | 176.4 | -66 | -44.1 | 0 | 0 | 0 | 111.4 | M705 N767 H768 L774 | M705-H770 HydrophobicContact CE-CB 4.16Å; N767-H770 HydrophobicContact CB-CB 4.42Å; N767-H770 PolarHBondContact O-N 3.2Å; N767-H770 VanDerWaalsContact O-N 3.16Å; H768-H770 PolarHBondContact O-N 3Å; H770-L774 VanDerWaalsContact O-CB 3.27Å; H770-L774 WeakPolarHBondContact O-CB 3.47Å; H770-L774 WeakPolarHBondContact O-CG 3.28Å; H770-L774 PolarHBondContact O-N 3.3Å |
| 771 | V | 71.1 | Confident | 72.9 | Confident | 6 Ų | 6 | 62.2 Ų | 62.2 | 4% | 0.036 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 176.1 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | A765 N767 H768 L774 Y775 H826 | A765-V771 HydrophobicContact CB-CG2 3.65Å; N767-V771 WeakPolarHBondContact O-CG2 3.33Å; N767-V771 PolarHBondContact O-N 3.35Å; N767-V771 VanDerWaalsContact O-N 3.1Å; H768-V771 PolarHBondContact O-N 3.16Å; V771-L774 WeakPolarHBondContact O-CB 3.19Å; V771-L774 PolarHBondContact O-N 3.25Å; V771-Y775 HydrophobicContact CG1-CD2 3.79Å; V771-Y775 HydrophobicContact CG1-CE2 3.39Å; V771-Y775 WeakPolarHBondContact O-CD2 3.46Å; V771-Y775 PolarHBondContact O-N 3.39Å; V771-H826 HydrophobicContact CG1-CB 4.09Å |
| 772 | E | 70.1 | Confident | 73.2 | Confident | 103 Ų | 103 | 62 Ų | 62 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.6 | -45.1 | 177.7 | -169.8 | 172.7 | 179.5 | 0 | 0 | 112.4 | H768 E769 L774 Y775 Q776 | H768-E772 IonicContact CE1-OE2 3.73Å; H768-E772 IonicContact ND1-OE2 3.69Å; H768-E772 PolarHBondContact O-N 2.74Å; E769-E772 PolarHBondContact O-N 3.11Å; E772-L774 VanDerWaalsContact C-N 3.3Å; E772-L774 PolarHBondContact O-N 2.91Å; E772-Y775 PolarHBondContact O-N 3.18Å; E772-Q776 WeakPolarHBondContact O-CG 3.44Å; E772-Q776 PolarHBondContact O-N 3.24Å |
| 773 | F | 69.4 | Low | 73.4 | Confident | 79 Ų | 79 | 63.4 Ų | 63.4 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 172.8 | 174.9 | -102.7 | 0 | 0 | 0 | 111.6 | E769 Q776 M777 | E769-F773 WeakPolarHBondContact O-CB 3.37Å; E769-F773 PolarHBondContact O-N 3.25Å; F773-Q776 PolarHBondContact O-N 2.9Å; F773-M777 HydrophobicContact CD1-CG 4.44Å; F773-M777 HydrophobicContact CE1-CG 4.01Å; F773-M777 HydrophobicContact CE2-CG 4.22Å; F773-M777 HydrophobicContact CE2-SD 4.36Å; F773-M777 HydrophobicContact CZ-CG 3.89Å; F773-M777 HydrophobicContact CZ-SD 4.17Å; F773-M777 WeakPolarHBondContact O-CG 3.3Å; F773-M777 PolarHBondContact O-N 3.05Å; F773-M777 VanDerWaalsContact O-N 3.1Å |
| 774 | L | 73.4 | Confident | 73.5 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.4 | -52.8 | 173.7 | -76.3 | 173.4 | 0 | 0 | 0 | 110.1 | F758 L761 L762 A765 H770 V771 E772 Q776 M777 L778 | F758-L774 HydrophobicContact CE1-CB 4.2Å; F758-L774 HydrophobicContact CE2-CB 4.41Å; F758-L774 HydrophobicContact CE2-CD2 3.71Å; F758-L774 VanDerWaalsContact CZ-C 3.45Å; F758-L774 HydrophobicContact CZ-CB 3.56Å; F758-L774 HydrophobicContact CZ-CD2 3.64Å; F758-L774 HydrophobicContact CZ-CG 4.17Å; F758-L774 WeakPolarHBondContact CZ-O 3.36Å; L761-L774 HydrophobicContact CB-CD1 4.12Å; L761-L774 HydrophobicContact CB-CD2 4.19Å; L761-L774 HydrophobicContact CD1-CD2 4.12Å; L762-L774 HydrophobicContact CD2-CB 4.39Å; A765-L774 HydrophobicContact CB-CD1 3.98Å; H770-L774 VanDerWaalsContact O-CB 3.27Å; H770-L774 WeakPolarHBondContact O-CB 3.47Å; H770-L774 WeakPolarHBondContact O-CG 3.28Å; H770-L774 PolarHBondContact O-N 3.3Å; V771-L774 WeakPolarHBondContact O-CB 3.19Å; V771-L774 PolarHBondContact O-N 3.25Å; E772-L774 VanDerWaalsContact C-N 3.3Å; E772-L774 PolarHBondContact O-N 2.91Å; L774-Q776 VanDerWaalsContact C-N 3.25Å; L774-Q776 PolarHBondContact O-N 3.39Å; L774-M777 PolarHBondContact O-N 3.4Å; L774-L778 PolarHBondContact O-N 3.04Å |
| 775 | Y | 78.7 | Confident | 74 | Confident | 26 Ų | 26 | 53.7 Ų | 53.7 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59 | -33.9 | -179.3 | -73.5 | -42.5 | 0 | 0 | 0 | 114.2 | L762 V771 E772 L778 S779 I821 H826 M828 | L762-Y775 HydrophobicContact CD1-CE1 4.41Å; L762-Y775 HydrophobicContact CD2-CD1 4.19Å; L762-Y775 HydrophobicContact CD2-CE1 3.7Å; V771-Y775 HydrophobicContact CG1-CD2 3.79Å; V771-Y775 HydrophobicContact CG1-CE2 3.39Å; V771-Y775 WeakPolarHBondContact O-CD2 3.46Å; V771-Y775 PolarHBondContact O-N 3.39Å; E772-Y775 PolarHBondContact O-N 3.18Å; Y775-L778 HydrophobicContact CD1-CD2 4.45Å; Y775-L778 PolarHBondContact O-N 2.86Å; Y775-S779 WeakPolarHBondContact O-CB 3.35Å; Y775-S779 PolarHBondContact O-N 2.91Å; Y775-I821 HydrophobicContact CE1-CG1 4.37Å; Y775-I821 HydrophobicContact CE1-CG2 4.43Å; Y775-H826 HydrophobicContact CE2-CB 4.42Å; Y775-H826 PolarHBondContact OH-O 2.87Å; Y775-M828 HydrophobicContact CD1-CB 4.14Å; Y775-M828 HydrophobicContact CD1-CG 3.76Å; Y775-M828 HydrophobicContact CD1-SD 3.39Å; Y775-M828 WeakPolarHBondContact CD1-SD 3.43Å; Y775-M828 HydrophobicContact CE1-CB 3.81Å; Y775-M828 HydrophobicContact CE1-CG 3.92Å; Y775-M828 HydrophobicContact CE1-SD 3.6Å; Y775-M828 VanDerWaalsContact CE1-SD 3.6Å; Y775-M828 HydrophobicContact CE2-CB 4.22Å; Y775-M828 HydrophobicContact CG-CG 4.13Å; Y775-M828 HydrophobicContact CG-SD 4.26Å |
| 776 | Q | 73.5 | Confident | 74.7 | Confident | 109 Ų | 109 | 53.4 Ų | 53.4 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 172.9 | -68.6 | 178.3 | 4.1 | 0 | 0 | 112 | E772 F773 L774 S779 Q780 | E772-Q776 WeakPolarHBondContact O-CG 3.44Å; E772-Q776 PolarHBondContact O-N 3.24Å; F773-Q776 PolarHBondContact O-N 2.9Å; L774-Q776 VanDerWaalsContact C-N 3.25Å; L774-Q776 PolarHBondContact O-N 3.39Å; Q776-S779 VanDerWaalsContact O-CB 3.31Å; Q776-S779 WeakPolarHBondContact O-CB 3.49Å; Q776-S779 PolarHBondContact O-N 3.08Å; Q776-Q780 WeakPolarHBondContact O-CG 3.4Å; Q776-Q780 PolarHBondContact O-N 3.33Å; Q776-Q780 VanDerWaalsContact O-N 3.09Å |
| 777 | M | 71.5 | Confident | 75.5 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.1 | -37.3 | 176.8 | -66.7 | -59.6 | -61.4 | 0 | 0 | 112.3 | M694 F698 F758 F773 L774 Q780 L781 | M694-M777 HydrophobicContact SD-CE 4.3Å; F698-M777 HydrophobicContact CE1-CB 4.13Å; F698-M777 HydrophobicContact CE1-CE 4.11Å; F698-M777 HydrophobicContact CE1-CG 4.19Å; F698-M777 HydrophobicContact CE2-CE 4.46Å; F698-M777 HydrophobicContact CZ-CB 3.97Å; F698-M777 HydrophobicContact CZ-CE 3.52Å; F698-M777 HydrophobicContact CZ-CG 4.28Å; F758-M777 HydrophobicContact CE2-CB 4.17Å; F773-M777 HydrophobicContact CD1-CG 4.44Å; F773-M777 HydrophobicContact CE1-CG 4.01Å; F773-M777 HydrophobicContact CE2-CG 4.22Å; F773-M777 HydrophobicContact CE2-SD 4.36Å; F773-M777 HydrophobicContact CZ-CG 3.89Å; F773-M777 HydrophobicContact CZ-SD 4.17Å; F773-M777 WeakPolarHBondContact O-CG 3.3Å; F773-M777 PolarHBondContact O-N 3.05Å; F773-M777 VanDerWaalsContact O-N 3.1Å; L774-M777 PolarHBondContact O-N 3.4Å; M777-Q780 WeakPolarHBondContact O-CB 3.12Å; M777-Q780 PolarHBondContact O-N 2.91Å; M777-Q780 PolarHBondContact SD-OE1 3.13Å; M777-Q780 VanDerWaalsContact SD-OE1 3.39Å; M777-L781 WeakPolarHBondContact O-CG 3.49Å; M777-L781 PolarHBondContact O-N 3.49Å |
| 778 | L | 82.2 | Confident | 76 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 174.2 | -179.6 | 61.3 | 0 | 0 | 0 | 111.4 | F755 F758 L774 Y775 Q780 L781 L782 L817 I821 M828 | F755-L778 HydrophobicContact CD1-CD1 4.18Å; F755-L778 HydrophobicContact CE1-CD1 4.09Å; F758-L778 HydrophobicContact CD1-CB 4.22Å; F758-L778 HydrophobicContact CD1-CD1 3.96Å; F758-L778 HydrophobicContact CD1-CD2 4.32Å; F758-L778 HydrophobicContact CD1-CG 4.39Å; F758-L778 HydrophobicContact CE1-CB 3.62Å; F758-L778 HydrophobicContact CE1-CD1 4.22Å; F758-L778 HydrophobicContact CE1-CD2 4.04Å; F758-L778 HydrophobicContact CE1-CG 4.17Å; F758-L778 HydrophobicContact CE2-CB 4.3Å; F758-L778 HydrophobicContact CG-CD1 4.36Å; F758-L778 HydrophobicContact CZ-CB 3.71Å; L774-L778 PolarHBondContact O-N 3.04Å; Y775-L778 HydrophobicContact CD1-CD2 4.45Å; Y775-L778 PolarHBondContact O-N 2.86Å; L778-Q780 VanDerWaalsContact C-N 3.28Å; L778-Q780 PolarHBondContact O-N 3.28Å; L778-L781 PolarHBondContact O-N 3.47Å; L778-L782 HydrophobicContact CD1-CD1 4.15Å; L778-L782 HydrophobicContact CD1-CG 4.1Å; L778-L782 HydrophobicContact CG-CD1 3.91Å; L778-L782 HydrophobicContact CG-CG 4.31Å; L778-L782 WeakPolarHBondContact O-CB 3.35Å; L778-L782 VanDerWaalsContact O-CG 3.3Å; L778-L782 WeakPolarHBondContact O-CG 3.46Å; L778-L782 PolarHBondContact O-N 3.04Å; L778-L817 HydrophobicContact CD1-CD1 3.83Å; L778-L817 HydrophobicContact CD1-CD2 4.13Å; L778-L817 HydrophobicContact CD2-CD2 4.09Å; L778-I821 HydrophobicContact CD2-CD1 3.7Å; L778-M828 HydrophobicContact CD2-CE 4.46Å; L778-M828 HydrophobicContact CD2-SD 3.82Å |
| 779 | S | 81.7 | Confident | 76.5 | Confident | 43 Ų | 43 | 36.7 Ų | 36.7 | 30% | 0.301 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -55.6 | -45.7 | 174.3 | -172.4 | 0 | 0 | 0 | 0 | 111.2 | Y775 Q776 L782 G783 T832 | Y775-S779 WeakPolarHBondContact O-CB 3.35Å; Y775-S779 PolarHBondContact O-N 2.91Å; Q776-S779 VanDerWaalsContact O-CB 3.31Å; Q776-S779 WeakPolarHBondContact O-CB 3.49Å; Q776-S779 PolarHBondContact O-N 3.08Å; S779-L782 PolarHBondContact O-N 2.72Å; S779-G783 PolarHBondContact O-N 3.4Å; S779-T832 VanDerWaalsContact OG-CG2 3.28Å; S779-T832 WeakPolarHBondContact OG-CG2 3.35Å |
| 780 | Q | 77.5 | Confident | 77 | Confident | 73 Ų | 73 | 31.8 Ų | 31.8 | 34% | 0.341 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.1 | -53.9 | 176.2 | -70.3 | 174.1 | -11.6 | 0 | 0 | 111.1 | S725 Q776 M777 L778 L782 G783 I784 | S725-Q780 PolarHBondContact OG-OE1 2.64Å; Q776-Q780 WeakPolarHBondContact O-CG 3.4Å; Q776-Q780 PolarHBondContact O-N 3.33Å; Q776-Q780 VanDerWaalsContact O-N 3.09Å; M777-Q780 WeakPolarHBondContact O-CB 3.12Å; M777-Q780 PolarHBondContact O-N 2.91Å; M777-Q780 PolarHBondContact SD-OE1 3.13Å; M777-Q780 VanDerWaalsContact SD-OE1 3.39Å; L778-Q780 VanDerWaalsContact C-N 3.28Å; L778-Q780 PolarHBondContact O-N 3.28Å; Q780-L782 VanDerWaalsContact C-N 3.3Å; Q780-L782 PolarHBondContact O-N 3.02Å; Q780-G783 WeakPolarHBondContact O-CA 3.2Å; Q780-G783 PolarHBondContact O-N 3.17Å; Q780-I784 WeakPolarHBondContact O-CG1 3.43Å; Q780-I784 PolarHBondContact O-N 3.07Å |
| 781 | L | 81.9 | Confident | 77.2 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.6 | -38.2 | 179.5 | -70.7 | 175.2 | 0 | 0 | 0 | 113.3 | L691 M694 F698 L754 F755 F758 M777 L778 I784 L785 | L691-L781 HydrophobicContact CD2-CD2 4.39Å; M694-L781 HydrophobicContact CE-CD2 4.42Å; F698-L781 HydrophobicContact CE2-CD1 4.12Å; F698-L781 HydrophobicContact CZ-CD1 4.44Å; L754-L781 HydrophobicContact CD1-CD2 4.08Å; F755-L781 HydrophobicContact CE1-CB 4.01Å; F755-L781 HydrophobicContact CZ-CB 4.3Å; F758-L781 HydrophobicContact CD2-CD1 4.38Å; M777-L781 WeakPolarHBondContact O-CG 3.49Å; M777-L781 PolarHBondContact O-N 3.49Å; L778-L781 PolarHBondContact O-N 3.47Å; L781-I784 HydrophobicContact CD2-CD1 4.32Å; L781-I784 PolarHBondContact O-N 3.47Å; L781-L785 PolarHBondContact O-N 3.03Å |
| 782 | L | 83.9 | Confident | 77.1 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.8 | -38.4 | 173.6 | -71.3 | 172.8 | 0 | 0 | 0 | 111.5 | F755 L778 S779 Q780 I784 L785 A786 L814 L835 L836 I839 | F755-L782 HydrophobicContact CE1-CD2 4.01Å; F755-L782 HydrophobicContact CE1-CG 4.41Å; F755-L782 HydrophobicContact CZ-CD2 4.18Å; L778-L782 HydrophobicContact CD1-CD1 4.15Å; L778-L782 HydrophobicContact CD1-CG 4.1Å; L778-L782 HydrophobicContact CG-CD1 3.91Å; L778-L782 HydrophobicContact CG-CG 4.31Å; L778-L782 WeakPolarHBondContact O-CB 3.35Å; L778-L782 VanDerWaalsContact O-CG 3.3Å; L778-L782 WeakPolarHBondContact O-CG 3.46Å; L778-L782 PolarHBondContact O-N 3.04Å; S779-L782 PolarHBondContact O-N 2.72Å; Q780-L782 VanDerWaalsContact C-N 3.3Å; Q780-L782 PolarHBondContact O-N 3.02Å; L782-I784 VanDerWaalsContact C-N 3.32Å; L782-I784 PolarHBondContact O-N 3.42Å; L782-L785 PolarHBondContact O-N 3.5Å; L782-A786 VanDerWaalsContact O-CB 3.31Å; L782-A786 WeakPolarHBondContact O-CB 3.19Å; L782-A786 PolarHBondContact O-N 3.46Å; L782-L814 HydrophobicContact CD2-CD2 4.33Å; L782-L835 HydrophobicContact CB-CD2 3.95Å; L782-L835 HydrophobicContact CB-CG 4.39Å; L782-L836 HydrophobicContact CD1-CB 3.99Å; L782-L836 HydrophobicContact CD1-CD1 4.37Å; L782-L836 HydrophobicContact CD2-CD1 3.69Å; L782-I839 HydrophobicContact CB-CD1 3.94Å; L782-I839 HydrophobicContact CD2-CD1 3.91Å; L782-I839 WeakPolarHBondContact O-CD1 3.29Å |
| 783 | G | 80.9 | Confident | 76.6 | Confident | 32 Ų | 32 | 26.3 Ų | 26.3 | 33% | 0.33 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58.3 | -43.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S779 Q780 A786 F787 | S779-G783 PolarHBondContact O-N 3.4Å; Q780-G783 WeakPolarHBondContact O-CA 3.2Å; Q780-G783 PolarHBondContact O-N 3.17Å; G783-A786 PolarHBondContact O-N 3.28Å; G783-F787 PolarHBondContact O-N 3.12Å |
| 784 | I | 79.8 | Confident | 76 | Confident | 10 Ų | 10 | 26.1 Ų | 26.1 | 5% | 0.051 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 175 | -52.8 | 176.5 | 0 | 0 | 0 | 111.1 | F687 L691 M694 T728 I732 F751 Q780 L781 L782 F787 Y788 | F687-I784 HydrophobicContact CE1-CG2 4.09Å; F687-I784 HydrophobicContact CZ-CG2 3.66Å; L691-I784 HydrophobicContact CD2-CD1 3.77Å; M694-I784 HydrophobicContact CE-CD1 4.24Å; T728-I784 HydrophobicContact CG2-CD1 3.6Å; T728-I784 HydrophobicContact CG2-CG1 4.48Å; I732-I784 HydrophobicContact CD1-CB 4.07Å; I732-I784 HydrophobicContact CD1-CD1 4.33Å; I732-I784 HydrophobicContact CD1-CG1 3.52Å; I732-I784 HydrophobicContact CD1-CG2 3.96Å; F751-I784 HydrophobicContact CE1-CB 4.47Å; F751-I784 HydrophobicContact CE1-CG2 4.23Å; F751-I784 HydrophobicContact CZ-CG2 3.83Å; Q780-I784 WeakPolarHBondContact O-CG1 3.43Å; Q780-I784 PolarHBondContact O-N 3.07Å; L781-I784 HydrophobicContact CD2-CD1 4.32Å; L781-I784 PolarHBondContact O-N 3.47Å; L782-I784 VanDerWaalsContact C-N 3.32Å; L782-I784 PolarHBondContact O-N 3.42Å; I784-F787 WeakPolarHBondContact O-CB 3.3Å; I784-F787 PolarHBondContact O-N 2.98Å; I784-Y788 HydrophobicContact CG2-CD2 4.36Å; I784-Y788 HydrophobicContact CG2-CE2 4.05Å; I784-Y788 WeakPolarHBondContact O-CD2 3.32Å; I784-Y788 PolarHBondContact O-N 3.38Å |
| 785 | L | 83.3 | Confident | 74.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.3 | -37.3 | 178.7 | -175.3 | 63.7 | 0 | 0 | 0 | 111.8 | F751 F755 L781 L782 F787 Y788 A789 F807 L810 L814 I839 L843 | F751-L785 HydrophobicContact CD2-CD1 4.3Å; F751-L785 HydrophobicContact CE1-CB 4.37Å; F751-L785 HydrophobicContact CE2-CD1 4.41Å; F751-L785 HydrophobicContact CG-CD1 4.38Å; F755-L785 HydrophobicContact CE2-CD2 3.79Å; F755-L785 HydrophobicContact CZ-CB 4.38Å; F755-L785 HydrophobicContact CZ-CD2 4.03Å; L781-L785 PolarHBondContact O-N 3.03Å; L782-L785 PolarHBondContact O-N 3.5Å; L785-F787 VanDerWaalsContact C-N 3.28Å; L785-F787 PolarHBondContact O-N 3.4Å; L785-Y788 PolarHBondContact O-N 3.21Å; L785-A789 VanDerWaalsContact O-CB 3.31Å; L785-A789 WeakPolarHBondContact O-CB 3.42Å; L785-A789 PolarHBondContact O-N 3.18Å; L785-F807 HydrophobicContact CD1-CD1 4.2Å; L785-F807 HydrophobicContact CD1-CE1 4.21Å; L785-L810 HydrophobicContact CD1-CD1 3.7Å; L785-L810 HydrophobicContact CD2-CD1 4.29Å; L785-L814 HydrophobicContact CD2-CD1 4.05Å; L785-L814 HydrophobicContact CD2-CD2 4.26Å; L785-I839 HydrophobicContact CD2-CG2 3.78Å; L785-I839 HydrophobicContact CG-CG2 4.04Å; L785-L843 HydrophobicContact CD2-CD1 4.43Å |
| 786 | A | 82.3 | Confident | 73.7 | Confident | 9 Ų | 9 | 35.9 Ų | 35.9 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.7 | -39.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L782 G783 A789 N790 L835 I839 | L782-A786 VanDerWaalsContact O-CB 3.31Å; L782-A786 WeakPolarHBondContact O-CB 3.19Å; L782-A786 PolarHBondContact O-N 3.46Å; G783-A786 PolarHBondContact O-N 3.28Å; A786-A789 PolarHBondContact O-N 3.03Å; A786-N790 WeakPolarHBondContact O-CB 3.41Å; A786-N790 VanDerWaalsContact O-CG 3.28Å; A786-N790 PolarHBondContact O-N 3.24Å; A786-N790 PolarHBondContact O-ND2 3.18Å; A786-L835 HydrophobicContact CB-CD1 4.05Å; A786-I839 HydrophobicContact CB-CD1 3.9Å; A786-I839 HydrophobicContact CB-CG1 3.86Å |
| 787 | F | 79.5 | Confident | 72.7 | Confident | 27 Ų | 27 | 34.5 Ų | 34.5 | 12% | 0.118 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.4 | -53.9 | 173.3 | 171.8 | -91.8 | 0 | 0 | 0 | 111.4 | I732 D736 G783 I784 L785 K791 | I732-F787 HydrophobicContact CG2-CB 4.35Å; I732-F787 HydrophobicContact CG2-CD2 3.76Å; I732-F787 HydrophobicContact CG2-CE2 4.32Å; I732-F787 HydrophobicContact CG2-CG 4.09Å; D736-F787 VanDerWaalsContact O-CZ 3.23Å; D736-F787 WeakPolarHBondContact O-CZ 3.49Å; D736-F787 WeakPolarHBondContact OD1-CE2 3.38Å; D736-F787 WeakPolarHBondContact OD1-CZ 3.31Å; G783-F787 PolarHBondContact O-N 3.12Å; I784-F787 WeakPolarHBondContact O-CB 3.3Å; I784-F787 PolarHBondContact O-N 2.98Å; L785-F787 VanDerWaalsContact C-N 3.28Å; L785-F787 PolarHBondContact O-N 3.4Å; F787-K791 WeakPolarHBondContact O-CG 3.3Å |
| 788 | Y | 78.9 | Confident | 71.7 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 176.9 | -72 | -62.3 | 0 | 0 | 0 | 112.5 | F687 I739 W740 P741 F751 I784 L785 N790 K791 L792 F807 | F687-Y788 WeakPolarHBondContact CD1-OH 3.5Å; F687-Y788 AromaticContact CE1-CE2 3.96Å; F687-Y788 HydrophobicContact CE1-CE2 3.96Å; F687-Y788 AromaticContact CE1-CZ 3.96Å; F687-Y788 WeakPolarHBondContact CE1-OH 3.47Å; I739-Y788 PolarHBondContact O-OH 3.47Å; W740-Y788 AromaticContact CE3-CD1 3.76Å; W740-Y788 HydrophobicContact CE3-CD1 3.76Å; W740-Y788 HydrophobicContact CE3-CE1 4.06Å; W740-Y788 HydrophobicContact CH2-CD1 4.38Å; W740-Y788 AromaticContact CZ3-CD1 3.61Å; W740-Y788 HydrophobicContact CZ3-CD1 3.61Å; W740-Y788 HydrophobicContact CZ3-CE1 4.37Å; P741-Y788 HydrophobicContact CG-CE1 4.46Å; F751-Y788 AromaticContact CE2-CD2 3.92Å; F751-Y788 HydrophobicContact CE2-CD2 3.92Å; F751-Y788 AromaticContact CE2-CE2 4Å; F751-Y788 HydrophobicContact CE2-CE2 4Å; F751-Y788 AromaticContact CZ-CD2 3.96Å; F751-Y788 HydrophobicContact CZ-CD2 3.96Å; F751-Y788 AromaticContact CZ-CE2 3.98Å; F751-Y788 HydrophobicContact CZ-CE2 3.98Å; I784-Y788 HydrophobicContact CG2-CD2 4.36Å; I784-Y788 HydrophobicContact CG2-CE2 4.05Å; I784-Y788 WeakPolarHBondContact O-CD2 3.32Å; I784-Y788 PolarHBondContact O-N 3.38Å; L785-Y788 PolarHBondContact O-N 3.21Å; Y788-N790 PolarHBondContact O-N 2.97Å; Y788-K791 PolarHBondContact O-N 3.45Å; Y788-L792 PolarHBondContact O-N 3.46Å; Y788-F807 HydrophobicContact CD1-CZ 4.34Å; Y788-F807 HydrophobicContact CG-CE1 4.36Å; Y788-F807 HydrophobicContact CG-CZ 4.02Å |
| 789 | A | 76.7 | Confident | 70.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -40.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L785 A786 K791 L792 T842 L843 | L785-A789 VanDerWaalsContact O-CB 3.31Å; L785-A789 WeakPolarHBondContact O-CB 3.42Å; L785-A789 PolarHBondContact O-N 3.18Å; A786-A789 PolarHBondContact O-N 3.03Å; A789-K791 VanDerWaalsContact C-N 3.3Å; A789-K791 PolarHBondContact O-N 3.34Å; A789-L792 WeakPolarHBondContact O-CB 3.23Å; A789-L792 PolarHBondContact O-N 3.35Å; A789-T842 HydrophobicContact CB-CG2 3.93Å; A789-L843 HydrophobicContact CB-CD2 3.96Å; A789-L843 HydrophobicContact CB-CG 4.42Å |
| 790 | N | 74 | Confident | 69.1 | Low | 39 Ų | 39 | 43 Ų | 43 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.3 | -31.7 | 178.3 | -76.6 | -20.1 | 0 | 0 | 0 | 112.7 | A786 Y788 L792 C851 H852 | A786-N790 WeakPolarHBondContact O-CB 3.41Å; A786-N790 VanDerWaalsContact O-CG 3.28Å; A786-N790 PolarHBondContact O-N 3.24Å; A786-N790 PolarHBondContact O-ND2 3.18Å; Y788-N790 PolarHBondContact O-N 2.97Å; N790-L792 VanDerWaalsContact C-N 3.31Å; N790-L792 PolarHBondContact O-N 3.23Å; N790-C851 VanDerWaalsContact OD1-CB 3.28Å; N790-C851 WeakPolarHBondContact OD1-CB 3.41Å; N790-C851 PolarHBondContact OD1-N 3.31Å; N790-C851 PolarHBondContact OD1-SG 3.19Å; N790-H852 PolarHBondContact ND2-CD2 2.91Å; N790-H852 PolarHBondContact ND2-NE2 3.47Å; N790-H852 VanDerWaalsContact ND2-NE2 3.13Å |
| 791 | K | 70.4 | Confident | 68.3 | Low | 36 Ų | 36 | 43 Ų | 43 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.7 | -24.1 | -179.8 | -65.6 | -73.4 | 179.1 | 165.8 | 0 | 112.7 | V659 D736 D737 W740 F787 Y788 A789 G793 S794 | V659-K791 HydrophobicContact CG2-CD 3.99Å; D736-K791 WeakPolarHBondContact OD1-CE 3.48Å; D736-K791 IonicContact OD1-NZ 3.88Å; D736-K791 PolarHBondContact OD1-NZ 3.24Å; D736-K791 IonicContact OD2-NZ 2.99Å; D736-K791 PolarHBondContact OD2-NZ 3.49Å; D737-K791 WeakPolarHBondContact OD1-CD 3.21Å; D737-K791 WeakPolarHBondContact OD1-CE 3.31Å; D737-K791 IonicContact OD1-NZ 2.74Å; D737-K791 PolarHBondContact OD1-NZ 3.39Å; D737-K791 IonicContact OD2-NZ 2.63Å; W740-K791 HydrophobicContact CZ3-CB 3.96Å; F787-K791 WeakPolarHBondContact O-CG 3.3Å; Y788-K791 PolarHBondContact O-N 3.45Å; A789-K791 VanDerWaalsContact C-N 3.3Å; A789-K791 PolarHBondContact O-N 3.34Å; K791-G793 PolarHBondContact O-N 3.42Å; K791-G793 VanDerWaalsContact O-N 3.16Å; K791-S794 PolarHBondContact O-N 2.82Å; K791-S794 PolarHBondContact O-OG 2.58Å |
| 792 | L | 70.6 | Confident | 67.6 | Low | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -22.7 | 179.2 | -65.7 | 170.1 | 0 | 0 | 0 | 114.2 | W740 Y788 A789 N790 A803 R804 F807 L843 | W740-L792 HydrophobicContact CH2-CD2 4.08Å; Y788-L792 PolarHBondContact O-N 3.46Å; A789-L792 WeakPolarHBondContact O-CB 3.23Å; A789-L792 PolarHBondContact O-N 3.35Å; N790-L792 VanDerWaalsContact C-N 3.31Å; N790-L792 PolarHBondContact O-N 3.23Å; L792-A803 HydrophobicContact CD2-CB 4.15Å; L792-R804 HydrophobicContact CB-CG 4.2Å; L792-R804 HydrophobicContact CD2-CG 4.07Å; L792-R804 VanDerWaalsContact O-CZ 3.25Å; L792-R804 PolarHBondContact O-NE 2.66Å; L792-R804 PolarHBondContact O-NH2 3.34Å; L792-F807 HydrophobicContact CD1-CB 3.96Å; L792-F807 HydrophobicContact CD1-CD2 3.99Å; L792-F807 HydrophobicContact CD1-CG 4.11Å; L792-F807 HydrophobicContact CD2-CD2 3.88Å; L792-F807 HydrophobicContact CD2-CE2 4.32Å; L792-F807 HydrophobicContact CG-CD2 4.42Å; L792-L843 HydrophobicContact CD1-CD2 3.95Å |
| 793 | G | 59 | Low | 66.9 | Low | 39 Ų | 39 | 47.2 Ų | 47.2 | 40% | 0.402 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -16.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | K791 G847 | K791-G793 PolarHBondContact O-N 3.42Å; K791-G793 VanDerWaalsContact O-N 3.16Å; G793-G847 WeakPolarHBondContact CA-O 3.02Å |
| 794 | S | 56.2 | Low | 66.5 | Low | 75 Ų | 75 | 48.2 Ų | 48.2 | 52% | 0.524 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -89.1 | -3.6 | -158.9 | 63.8 | 0 | 0 | 0 | 0 | 117 | K791 | K791-S794 PolarHBondContact O-N 2.82Å; K791-S794 PolarHBondContact O-OG 2.58Å |
| 795 | T | 51.1 | Low | 66.3 | Low | 25 Ų | 25 | 50.6 Ų | 50.6 | 15% | 0.153 | 27% | 0.27 | C | S | . | . | trans | -146.7 | 143.9 | -162.2 | 34.9 | 0 | 0 | 0 | 0 | 112.4 | V659 I800 R804 | V659-T795 HydrophobicContact CB-CG2 4.06Å; V659-T795 HydrophobicContact CG1-CG2 3.89Å; T795-I800 VanDerWaalsContact CB-CD1 3.41Å; T795-I800 HydrophobicContact CG2-CD1 4.36Å; T795-I800 WeakPolarHBondContact OG1-CD1 3.4Å; T795-R804 PolarHBondContact O-NH2 2.79Å | ||
| 796 | K | 52.8 | Low | 66.1 | Low | 213 Ų | 213 | 53.6 Ų | 53.6 | 93% | 0.926 | 28% | 0.284 | S | S | * | . | trans | -98.3 | 12.9 | -170.1 | -74.8 | -171.7 | 176.3 | -176.1 | 0 | 114.4 | ||||
| 797 | D | 52.2 | Low | 66.2 | Low | 80 Ų | 80 | 53.1 Ų | 53.1 | 43% | 0.428 | 28% | 0.281 | S | S | . | . | trans | -88.7 | 145.5 | -170.8 | -63.3 | -33.1 | 0 | 0 | 0 | 113.3 | E799 I800 | D797-E799 VanDerWaalsContact C-N 3.31Å; D797-E799 PolarHBondContact O-N 3.02Å; D797-I800 HydrophobicContact CB-CD1 4.42Å; D797-I800 WeakPolarHBondContact O-CB 3.49Å; D797-I800 PolarHBondContact O-N 3.36Å; D797-I800 VanDerWaalsContact O-N 3.13Å | ||
| 798 | N | 51.3 | Low | 66.2 | Low | 135 Ų | 135 | 53.5 Ų | 53.5 | 72% | 0.722 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.3 | -29.6 | -173 | -76.8 | -20.2 | 0 | 0 | 0 | 114.1 | I800 I801 | N798-I800 VanDerWaalsContact C-N 3.26Å; N798-I800 PolarHBondContact O-N 3.09Å; N798-I801 WeakPolarHBondContact O-CB 3.24Å; N798-I801 PolarHBondContact O-N 3.4Å |
| 799 | E | 50.4 | Low | 66.5 | Low | 95 Ų | 95 | 57.7 Ų | 57.7 | 44% | 0.444 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -73.9 | -16.3 | 178.3 | -67.7 | -179.2 | -174.5 | 0 | 0 | 113.3 | L663 I667 D797 I801 T802 A803 | L663-E799 HydrophobicContact CD2-CB 4.41Å; I667-E799 WeakPolarHBondContact CD1-OE2 2.85Å; I667-E799 VanDerWaalsContact CG1-OE2 3.3Å; I667-E799 WeakPolarHBondContact CG1-OE2 3.43Å; D797-E799 VanDerWaalsContact C-N 3.31Å; D797-E799 PolarHBondContact O-N 3.02Å; E799-I801 VanDerWaalsContact C-N 3.3Å; E799-T802 PolarHBondContact O-OG1 2.86Å; E799-A803 PolarHBondContact O-N 3.32Å |
| 800 | I | 59.6 | Low | 67 | Low | 10 Ų | 10 | 57.7 Ų | 57.7 | 5% | 0.051 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -81.3 | -18.7 | 175.1 | -57.9 | 179.8 | 0 | 0 | 0 | 110.4 | L663 T795 D797 N798 A803 R804 | L663-I800 HydrophobicContact CD1-CD1 4.08Å; L663-I800 HydrophobicContact CD1-CG1 4.36Å; T795-I800 VanDerWaalsContact CB-CD1 3.41Å; T795-I800 HydrophobicContact CG2-CD1 4.36Å; T795-I800 WeakPolarHBondContact OG1-CD1 3.4Å; D797-I800 HydrophobicContact CB-CD1 4.42Å; D797-I800 WeakPolarHBondContact O-CB 3.49Å; D797-I800 PolarHBondContact O-N 3.36Å; D797-I800 VanDerWaalsContact O-N 3.13Å; N798-I800 VanDerWaalsContact C-N 3.26Å; N798-I800 PolarHBondContact O-N 3.09Å; I800-A803 PolarHBondContact O-N 3.39Å; I800-R804 HydrophobicContact CG2-CG 4.32Å; I800-R804 WeakPolarHBondContact O-CB 3.35Å; I800-R804 WeakPolarHBondContact O-CD 3.43Å; I800-R804 WeakPolarHBondContact O-CG 3.46Å; I800-R804 PolarHBondContact O-N 3.43Å |
| 801 | I | 60.4 | Low | 67.5 | Low | 73 Ų | 73 | 57.6 Ų | 57.6 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 171.6 | -56.2 | 175.5 | 0 | 0 | 0 | 109.5 | N798 E799 A803 R804 D805 | N798-I801 WeakPolarHBondContact O-CB 3.24Å; N798-I801 PolarHBondContact O-N 3.4Å; E799-I801 VanDerWaalsContact C-N 3.3Å; I801-A803 PolarHBondContact O-N 3.44Å; I801-R804 PolarHBondContact O-N 2.94Å; I801-D805 PolarHBondContact O-N 3.25Å |
| 802 | T | 66.5 | Low | 68.3 | Low | 85 Ų | 85 | 60.1 Ų | 60.1 | 52% | 0.521 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 173.6 | 39 | 0 | 0 | 0 | 0 | 111.8 | E799 R804 D805 E806 | E799-T802 PolarHBondContact O-OG1 2.86Å; T802-R804 PolarHBondContact O-N 3.27Å; T802-D805 PolarHBondContact O-N 3.4Å; T802-E806 VanDerWaalsContact O-CG 3.28Å; T802-E806 WeakPolarHBondContact O-CG 3.43Å; T802-E806 PolarHBondContact O-N 2.97Å |
| 803 | A | 69.6 | Low | 69.1 | Low | 3 Ų | 3 | 60.7 Ų | 60.7 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | W740 I744 L792 E799 I800 I801 D805 E806 F807 | W740-A803 HydrophobicContact CZ2-CB 4.48Å; I744-A803 HydrophobicContact CD1-CB 3.54Å; L792-A803 HydrophobicContact CD2-CB 4.15Å; E799-A803 PolarHBondContact O-N 3.32Å; I800-A803 PolarHBondContact O-N 3.39Å; I801-A803 PolarHBondContact O-N 3.44Å; A803-D805 VanDerWaalsContact C-N 3.34Å; A803-D805 PolarHBondContact O-N 3.43Å; A803-E806 PolarHBondContact O-N 3.2Å; A803-F807 VanDerWaalsContact O-CD2 3.3Å; A803-F807 WeakPolarHBondContact O-CD2 2.83Å; A803-F807 PolarHBondContact O-N 2.79Å |
| 804 | R | 72.4 | Confident | 70.4 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 20% | 0.204 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 178 | -74.8 | 165.1 | 178.8 | 168 | 8.8 | 111.6 | L792 T795 I800 I801 T802 S808 R846 | L792-R804 HydrophobicContact CB-CG 4.2Å; L792-R804 HydrophobicContact CD2-CG 4.07Å; L792-R804 VanDerWaalsContact O-CZ 3.25Å; L792-R804 PolarHBondContact O-NE 2.66Å; L792-R804 PolarHBondContact O-NH2 3.34Å; T795-R804 PolarHBondContact O-NH2 2.79Å; I800-R804 HydrophobicContact CG2-CG 4.32Å; I800-R804 WeakPolarHBondContact O-CB 3.35Å; I800-R804 WeakPolarHBondContact O-CD 3.43Å; I800-R804 WeakPolarHBondContact O-CG 3.46Å; I800-R804 PolarHBondContact O-N 3.43Å; I801-R804 PolarHBondContact O-N 2.94Å; T802-R804 PolarHBondContact O-N 3.27Å; R804-S808 WeakPolarHBondContact O-CB 3.36Å; R804-S808 PolarHBondContact O-N 3.38Å; R804-S808 VanDerWaalsContact O-N 3.1Å; R804-R846 HydrophobicContact CB-CB 4.29Å; R804-R846 WeakPolarHBondContact CD-O 3.29Å; R804-R846 HydrophobicContact CG-CB 4.34Å; R804-R846 PolarHBondContact NE-O 3.07Å |
| 805 | D | 74.6 | Confident | 71.8 | Confident | 60 Ų | 60 | 58.7 Ų | 58.7 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 176.6 | -71.5 | -30.7 | 0 | 0 | 0 | 110.9 | I801 T802 A803 S808 R846 | I801-D805 PolarHBondContact O-N 3.25Å; T802-D805 PolarHBondContact O-N 3.4Å; A803-D805 VanDerWaalsContact C-N 3.34Å; A803-D805 PolarHBondContact O-N 3.43Å; D805-S808 WeakPolarHBondContact O-CB 3.46Å; D805-S808 PolarHBondContact O-N 3.4Å; D805-S808 PolarHBondContact O-OG 3.23Å; D805-R846 IonicContact OD1-CZ 3.76Å; D805-R846 IonicContact OD1-NH1 2.83Å; D805-R846 PolarHBondContact OD1-NH1 3.24Å; D805-R846 IonicContact OD1-NH2 2.87Å; D805-R846 PolarHBondContact OD1-NH2 3.08Å; D805-R846 IonicContact OD2-NH1 3.74Å |
| 806 | E | 80 | Confident | 73.5 | Confident | 62 Ų | 62 | 61.3 Ų | 61.3 | 29% | 0.29 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 178 | -71.9 | -61.9 | 145.4 | 0 | 0 | 112.8 | I744 T802 A803 S808 R809 | I744-E806 HydrophobicContact CG2-CB 4Å; T802-E806 VanDerWaalsContact O-CG 3.28Å; T802-E806 WeakPolarHBondContact O-CG 3.43Å; T802-E806 PolarHBondContact O-N 2.97Å; A803-E806 PolarHBondContact O-N 3.2Å; E806-S808 PolarHBondContact O-N 2.97Å; E806-R809 VanDerWaalsContact O-CB 3.25Å; E806-R809 WeakPolarHBondContact O-CB 3.23Å; E806-R809 WeakPolarHBondContact O-CG 3.45Å; E806-R809 PolarHBondContact O-N 2.94Å; E806-R809 VanDerWaalsContact O-N 3.13Å; E806-R809 IonicContact OE2-CZ 3.47Å; E806-R809 IonicContact OE2-NE 3.36Å; E806-R809 PolarHBondContact OE2-NE 3.28Å; E806-R809 IonicContact OE2-NH2 2.76Å; E806-R809 PolarHBondContact OE2-NH2 2.93Å |
| 807 | F | 83.7 | Confident | 75 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.9 | -26.9 | 176.6 | -82.2 | -74.7 | 0 | 0 | 0 | 112.9 | W740 I744 L785 Y788 L792 A803 R809 L810 L843 | W740-F807 HydrophobicContact CH2-CE2 4.02Å; W740-F807 HydrophobicContact CZ2-CE2 4.23Å; I744-F807 HydrophobicContact CG2-CD2 3.91Å; I744-F807 HydrophobicContact CG2-CE2 3.56Å; I744-F807 HydrophobicContact CG2-CZ 4.19Å; L785-F807 HydrophobicContact CD1-CD1 4.2Å; L785-F807 HydrophobicContact CD1-CE1 4.21Å; Y788-F807 HydrophobicContact CD1-CZ 4.34Å; Y788-F807 HydrophobicContact CG-CE1 4.36Å; Y788-F807 HydrophobicContact CG-CZ 4.02Å; L792-F807 HydrophobicContact CD1-CB 3.96Å; L792-F807 HydrophobicContact CD1-CD2 3.99Å; L792-F807 HydrophobicContact CD1-CG 4.11Å; L792-F807 HydrophobicContact CD2-CD2 3.88Å; L792-F807 HydrophobicContact CD2-CE2 4.32Å; L792-F807 HydrophobicContact CG-CD2 4.42Å; A803-F807 VanDerWaalsContact O-CD2 3.3Å; A803-F807 WeakPolarHBondContact O-CD2 2.83Å; A803-F807 PolarHBondContact O-N 2.79Å; F807-R809 PolarHBondContact O-N 3.45Å; F807-L810 HydrophobicContact CD1-CD1 4.09Å; F807-L810 WeakPolarHBondContact O-CB 3.31Å; F807-L810 PolarHBondContact O-N 3.47Å; F807-L810 VanDerWaalsContact O-N 3.16Å; F807-L843 HydrophobicContact CB-CD2 3.87Å |
| 808 | S | 79.3 | Confident | 76.6 | Confident | 34 Ų | 34 | 48.7 Ų | 48.7 | 24% | 0.238 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.5 | -20 | 175.6 | 79.3 | 0 | 0 | 0 | 0 | 113.3 | R804 D805 E806 L810 L811 | R804-S808 WeakPolarHBondContact O-CB 3.36Å; R804-S808 PolarHBondContact O-N 3.38Å; R804-S808 VanDerWaalsContact O-N 3.1Å; D805-S808 WeakPolarHBondContact O-CB 3.46Å; D805-S808 PolarHBondContact O-N 3.4Å; D805-S808 PolarHBondContact O-OG 3.23Å; E806-S808 PolarHBondContact O-N 2.97Å; S808-L810 PolarHBondContact O-N 3.29Å; S808-L810 VanDerWaalsContact O-N 3.16Å; S808-L811 PolarHBondContact O-N 3.07Å |
| 809 | R | 85.3 | Confident | 78.1 | Confident | 90 Ų | 90 | 48.3 Ų | 48.3 | 34% | 0.34 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.1 | 173 | -63.1 | -167.1 | -70.3 | 124.7 | -5.5 | 113.2 | S745 N749 E806 F807 L811 P812 | S745-R809 PolarHBondContact O-NH2 3.43Å; N749-R809 PolarHBondContact OD1-NH1 3.32Å; N749-R809 PolarHBondContact OD1-NH2 3.25Å; E806-R809 VanDerWaalsContact O-CB 3.25Å; E806-R809 WeakPolarHBondContact O-CB 3.23Å; E806-R809 WeakPolarHBondContact O-CG 3.45Å; E806-R809 PolarHBondContact O-N 2.94Å; E806-R809 VanDerWaalsContact O-N 3.13Å; E806-R809 IonicContact OE2-CZ 3.47Å; E806-R809 IonicContact OE2-NE 3.36Å; E806-R809 PolarHBondContact OE2-NE 3.28Å; E806-R809 IonicContact OE2-NH2 2.76Å; E806-R809 PolarHBondContact OE2-NH2 2.93Å; F807-R809 PolarHBondContact O-N 3.45Å; R809-L811 VanDerWaalsContact C-N 3.34Å; R809-P812 VanDerWaalsContact O-CD 3.24Å; R809-P812 WeakPolarHBondContact O-CD 3.15Å |
| 810 | L | 87 | Confident | 79.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -13.8 | -179.7 | -61.2 | 176.5 | 0 | 0 | 0 | 113.6 | F751 E752 L785 F807 S808 I813 L814 L843 | F751-L810 HydrophobicContact CB-CD1 4.02Å; F751-L810 HydrophobicContact CB-CD2 4.06Å; E752-L810 HydrophobicContact CB-CD2 3.96Å; L785-L810 HydrophobicContact CD1-CD1 3.7Å; L785-L810 HydrophobicContact CD2-CD1 4.29Å; F807-L810 HydrophobicContact CD1-CD1 4.09Å; F807-L810 WeakPolarHBondContact O-CB 3.31Å; F807-L810 PolarHBondContact O-N 3.47Å; F807-L810 VanDerWaalsContact O-N 3.16Å; S808-L810 PolarHBondContact O-N 3.29Å; S808-L810 VanDerWaalsContact O-N 3.16Å; L810-I813 VanDerWaalsContact O-CG2 3.31Å; L810-I813 WeakPolarHBondContact O-CG2 3.45Å; L810-I813 PolarHBondContact O-N 3.48Å; L810-L814 WeakPolarHBondContact O-CG 3.07Å; L810-L814 PolarHBondContact O-N 3.03Å; L810-L814 VanDerWaalsContact O-N 3.14Å; L810-L843 HydrophobicContact CB-CD1 4.45Å |
| 811 | L | 85.2 | Confident | 80.7 | Confident | 37 Ų | 37 | 43.9 Ų | 43.9 | 19% | 0.194 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55 | -47.1 | -177.3 | -73.9 | 166.7 | 0 | 0 | 0 | 114.1 | S808 R809 I813 L814 D815 K840 L843 A844 | S808-L811 PolarHBondContact O-N 3.07Å; R809-L811 VanDerWaalsContact C-N 3.34Å; L811-I813 VanDerWaalsContact C-N 3.27Å; L811-I813 PolarHBondContact O-N 2.99Å; L811-L814 PolarHBondContact O-N 3.34Å; L811-D815 PolarHBondContact O-N 2.93Å; L811-K840 HydrophobicContact CD2-CB 4.33Å; L811-L843 HydrophobicContact CD2-CB 4.02Å; L811-L843 HydrophobicContact CG-CB 4.34Å; L811-A844 HydrophobicContact CD1-CB 4.2Å; L811-A844 HydrophobicContact CD2-CB 4.27Å |
| 812 | P | 86.7 | Confident | 81.6 | Confident | 89 Ų | 89 | 45.3 Ų | 45.3 | 58% | 0.578 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.3 | -33.1 | -178.8 | -22.1 | 34.6 | 0 | 0 | 0 | 113.4 | R809 K816 | R809-P812 VanDerWaalsContact O-CD 3.24Å; R809-P812 WeakPolarHBondContact O-CD 3.15Å; P812-K816 PolarHBondContact O-N 2.98Å; P812-K816 VanDerWaalsContact O-N 3.09Å |
| 813 | I | 87.4 | Confident | 82.1 | Confident | 15 Ų | 15 | 45.5 Ų | 45.5 | 8% | 0.077 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -78.7 | -33.7 | -179.6 | -152.4 | 141.4 | 0 | 0 | 0 | 112.1 | E752 F755 H756 L810 L811 K816 L817 | E752-I813 HydrophobicContact CG-CD1 3.79Å; E752-I813 WeakPolarHBondContact O-CD1 3.36Å; F755-I813 HydrophobicContact CB-CG1 4.32Å; F755-I813 HydrophobicContact CB-CG2 4.09Å; H756-I813 HydrophobicContact CB-CD1 3.59Å; L810-I813 VanDerWaalsContact O-CG2 3.31Å; L810-I813 WeakPolarHBondContact O-CG2 3.45Å; L810-I813 PolarHBondContact O-N 3.48Å; L811-I813 VanDerWaalsContact C-N 3.27Å; L811-I813 PolarHBondContact O-N 2.99Å; I813-K816 PolarHBondContact O-N 3.3Å; I813-L817 WeakPolarHBondContact O-CB 3.45Å; I813-L817 PolarHBondContact O-N 2.97Å |
| 814 | L | 87.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.3 | -37 | 172 | -63.7 | 177 | 0 | 0 | 0 | 111.5 | F755 L782 L785 L810 L811 L817 E818 L836 I839 K840 L843 | F755-L814 HydrophobicContact CD2-CD2 4.19Å; F755-L814 HydrophobicContact CE2-CD2 4.24Å; F755-L814 HydrophobicContact CG-CD2 4.38Å; F755-L814 HydrophobicContact CZ-CD2 4.44Å; L782-L814 HydrophobicContact CD2-CD2 4.33Å; L785-L814 HydrophobicContact CD2-CD1 4.05Å; L785-L814 HydrophobicContact CD2-CD2 4.26Å; L810-L814 WeakPolarHBondContact O-CG 3.07Å; L810-L814 PolarHBondContact O-N 3.03Å; L810-L814 VanDerWaalsContact O-N 3.14Å; L811-L814 PolarHBondContact O-N 3.34Å; L814-L817 PolarHBondContact O-N 3.47Å; L814-E818 PolarHBondContact O-N 3.4Å; L814-L836 HydrophobicContact CB-CD1 4.17Å; L814-L836 HydrophobicContact CD2-CD1 3.82Å; L814-L836 HydrophobicContact CG-CD1 4.46Å; L814-I839 HydrophobicContact CD1-CG2 4.15Å; L814-K840 HydrophobicContact CB-CD 4.29Å; L814-K840 HydrophobicContact CB-CG 3.94Å; L814-K840 HydrophobicContact CD1-CG 4.17Å; L814-L843 HydrophobicContact CD1-CD1 3.95Å |
| 815 | D | 84.9 | Confident | 81.3 | Confident | 72 Ų | 72 | 49.8 Ų | 49.8 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 171.2 | -78 | -34.9 | 0 | 0 | 0 | 111.6 | L811 L817 E818 L819 K840 | L811-D815 PolarHBondContact O-N 2.93Å; D815-L817 VanDerWaalsContact C-N 3.31Å; D815-L817 PolarHBondContact O-N 3.34Å; D815-E818 PolarHBondContact O-N 2.87Å; D815-L819 WeakPolarHBondContact O-CG 3.23Å; D815-L819 PolarHBondContact O-N 3.48Å; D815-L819 VanDerWaalsContact O-N 3.09Å; D815-K840 WeakPolarHBondContact OD1-CE 3.43Å; D815-K840 IonicContact OD1-NZ 2.75Å; D815-K840 PolarHBondContact OD1-NZ 3.39Å |
| 816 | K | 86.1 | Confident | 80.8 | Confident | 81 Ų | 81 | 50.1 Ų | 50.1 | 35% | 0.352 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 175.7 | -175.4 | -177.9 | 178 | -175.2 | 0 | 111.2 | H756 P812 I813 L819 V820 | H756-K816 PolarHBondContact NE2-NZ 3.34Å; P812-K816 PolarHBondContact O-N 2.98Å; P812-K816 VanDerWaalsContact O-N 3.09Å; I813-K816 PolarHBondContact O-N 3.3Å; K816-L819 PolarHBondContact O-N 3.25Å; K816-V820 WeakPolarHBondContact O-CG2 3.37Å; K816-V820 PolarHBondContact O-N 2.89Å |
| 817 | L | 86 | Confident | 79.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | -179.5 | -175.4 | 134.2 | 0 | 0 | 0 | 111.7 | F755 F758 L778 I813 L814 D815 L819 V820 I821 L836 | F755-L817 HydrophobicContact CB-CD1 4.26Å; F755-L817 HydrophobicContact CD1-CD1 3.95Å; F758-L817 HydrophobicContact CD1-CD1 4.42Å; L778-L817 HydrophobicContact CD1-CD1 3.83Å; L778-L817 HydrophobicContact CD1-CD2 4.13Å; L778-L817 HydrophobicContact CD2-CD2 4.09Å; I813-L817 WeakPolarHBondContact O-CB 3.45Å; I813-L817 PolarHBondContact O-N 2.97Å; L814-L817 PolarHBondContact O-N 3.47Å; D815-L817 VanDerWaalsContact C-N 3.31Å; D815-L817 PolarHBondContact O-N 3.34Å; L817-L819 PolarHBondContact O-N 3.37Å; L817-V820 PolarHBondContact O-N 2.94Å; L817-I821 HydrophobicContact CD2-CD1 3.43Å; L817-I821 VanDerWaalsContact CD2-CD1 3.43Å; L817-I821 HydrophobicContact CG-CD1 3.98Å; L817-I821 WeakPolarHBondContact O-CD1 3.3Å; L817-I821 VanDerWaalsContact O-CG1 3.23Å; L817-I821 WeakPolarHBondContact O-CG1 3.37Å; L817-I821 PolarHBondContact O-N 2.94Å; L817-L836 HydrophobicContact CD2-CD1 3.93Å; L817-L836 HydrophobicContact CD2-CD2 3.63Å; L817-L836 HydrophobicContact CD2-CG 4.45Å |
| 818 | E | 84.2 | Confident | 78.9 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 174.2 | -171.7 | 174.3 | -172.1 | 0 | 0 | 112.2 | L814 D815 V820 I821 N822 L836 Q837 K840 | L814-E818 PolarHBondContact O-N 3.4Å; D815-E818 PolarHBondContact O-N 2.87Å; E818-V820 VanDerWaalsContact C-N 3.34Å; E818-V820 PolarHBondContact O-N 3.19Å; E818-I821 PolarHBondContact O-N 3.38Å; E818-N822 WeakPolarHBondContact O-CB 3.33Å; E818-N822 VanDerWaalsContact O-CG 3.26Å; E818-N822 PolarHBondContact O-N 3.34Å; E818-N822 PolarHBondContact O-ND2 3.39Å; E818-L836 HydrophobicContact CB-CD2 3.83Å; E818-L836 HydrophobicContact CG-CD2 4.27Å; E818-Q837 PolarHBondContact OE1-NE2 2.65Å; E818-K840 IonicContact OE2-NZ 3.16Å; E818-K840 PolarHBondContact OE2-NZ 3.33Å |
| 819 | L | 84.6 | Confident | 78.4 | Confident | 127 Ų | 127 | 53.7 Ų | 53.7 | 67% | 0.665 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.6 | -41.9 | 175.9 | -73.6 | 172 | 0 | 0 | 0 | 112.3 | D815 K816 L817 S823 | D815-L819 WeakPolarHBondContact O-CG 3.23Å; D815-L819 PolarHBondContact O-N 3.48Å; D815-L819 VanDerWaalsContact O-N 3.09Å; K816-L819 PolarHBondContact O-N 3.25Å; L817-L819 PolarHBondContact O-N 3.37Å; L819-S823 WeakPolarHBondContact O-CB 3.31Å; L819-S823 PolarHBondContact O-N 3.2Å; L819-S823 VanDerWaalsContact O-N 3.16Å; L819-S823 PolarHBondContact O-OG 2.85Å |
| 820 | V | 83.3 | Confident | 77.7 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.03 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 176.5 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | L762 Q763 K816 L817 E818 N822 S823 T824 | L762-V820 HydrophobicContact CB-CG1 3.94Å; Q763-V820 HydrophobicContact CG-CG1 3.66Å; Q763-V820 HydrophobicContact CG-CG2 4.11Å; Q763-V820 VanDerWaalsContact NE2-CG2 3.35Å; K816-V820 WeakPolarHBondContact O-CG2 3.37Å; K816-V820 PolarHBondContact O-N 2.89Å; L817-V820 PolarHBondContact O-N 2.94Å; E818-V820 VanDerWaalsContact C-N 3.34Å; E818-V820 PolarHBondContact O-N 3.19Å; V820-N822 VanDerWaalsContact C-N 3.31Å; V820-N822 PolarHBondContact O-N 3.5Å; V820-S823 PolarHBondContact O-N 3.13Å; V820-S823 PolarHBondContact O-OG 3.49Å; V820-T824 PolarHBondContact O-N 3.01Å; V820-T824 VanDerWaalsContact O-N 3.1Å; V820-T824 PolarHBondContact O-OG1 2.92Å; V820-T824 VanDerWaalsContact O-OG1 3.09Å |
| 821 | I | 80.2 | Confident | 77.1 | Confident | 7 Ų | 7 | 59.9 Ų | 59.9 | 4% | 0.036 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | -179.2 | -67.1 | 164.2 | 0 | 0 | 0 | 111.5 | L762 Y775 L778 L817 E818 S823 T824 M828 L833 L836 | L762-I821 HydrophobicContact CD1-CG1 3.94Å; Y775-I821 HydrophobicContact CE1-CG1 4.37Å; Y775-I821 HydrophobicContact CE1-CG2 4.43Å; L778-I821 HydrophobicContact CD2-CD1 3.7Å; L817-I821 HydrophobicContact CD2-CD1 3.43Å; L817-I821 VanDerWaalsContact CD2-CD1 3.43Å; L817-I821 HydrophobicContact CG-CD1 3.98Å; L817-I821 WeakPolarHBondContact O-CD1 3.3Å; L817-I821 VanDerWaalsContact O-CG1 3.23Å; L817-I821 WeakPolarHBondContact O-CG1 3.37Å; L817-I821 PolarHBondContact O-N 2.94Å; E818-I821 PolarHBondContact O-N 3.38Å; I821-S823 PolarHBondContact O-N 2.97Å; I821-T824 WeakPolarHBondContact CA-OG1 3.19Å; I821-T824 PolarHBondContact O-N 3.42Å; I821-T824 PolarHBondContact O-OG1 3.14Å; I821-M828 HydrophobicContact CD1-CE 3.68Å; I821-M828 HydrophobicContact CD1-SD 3.95Å; I821-M828 HydrophobicContact CG2-CB 3.82Å; I821-M828 HydrophobicContact CG2-CE 4.01Å; I821-M828 HydrophobicContact CG2-SD 4.17Å; I821-L833 HydrophobicContact CG2-CD1 4.29Å; I821-L836 HydrophobicContact CD1-CD2 4.3Å |
| 822 | N | 79.2 | Confident | 76.6 | Confident | 103 Ų | 103 | 58.8 Ų | 58.8 | 55% | 0.551 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68 | -22.3 | 176.6 | -71.5 | -26.5 | 0 | 0 | 0 | 113.2 | E818 V820 | E818-N822 WeakPolarHBondContact O-CB 3.33Å; E818-N822 VanDerWaalsContact O-CG 3.26Å; E818-N822 PolarHBondContact O-N 3.34Å; E818-N822 PolarHBondContact O-ND2 3.39Å; V820-N822 VanDerWaalsContact C-N 3.31Å; V820-N822 PolarHBondContact O-N 3.5Å |
| 823 | S | 76.5 | Confident | 76.4 | Confident | 89 Ų | 89 | 56.1 Ų | 56.1 | 62% | 0.622 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -88.9 | -21.5 | 178.9 | 72.2 | 0 | 0 | 0 | 0 | 114 | L819 V820 I821 | L819-S823 WeakPolarHBondContact O-CB 3.31Å; L819-S823 PolarHBondContact O-N 3.2Å; L819-S823 VanDerWaalsContact O-N 3.16Å; L819-S823 PolarHBondContact O-OG 2.85Å; V820-S823 PolarHBondContact O-N 3.13Å; V820-S823 PolarHBondContact O-OG 3.49Å; I821-S823 PolarHBondContact O-N 2.97Å |
| 824 | T | 69.8 | Low | 76 | Confident | 36 Ų | 36 | 58.2 Ų | 58.2 | 22% | 0.221 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -76.7 | 137.5 | 176.3 | 27 | 0 | 0 | 0 | 0 | 111.8 | V820 I821 H826 | V820-T824 PolarHBondContact O-N 3.01Å; V820-T824 VanDerWaalsContact O-N 3.1Å; V820-T824 PolarHBondContact O-OG1 2.92Å; V820-T824 VanDerWaalsContact O-OG1 3.09Å; I821-T824 WeakPolarHBondContact CA-OG1 3.19Å; I821-T824 PolarHBondContact O-N 3.42Å; I821-T824 PolarHBondContact O-OG1 3.14Å; T824-H826 PolarHBondContact O-N 3.41Å; T824-H826 VanDerWaalsContact O-N 3.16Å |
| 825 | S | 57 | Low | 75.8 | Confident | 111 Ų | 111 | 60.5 Ų | 60.5 | 78% | 0.776 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -66.9 | -13.9 | -175.4 | 49 | 0 | 0 | 0 | 0 | 115.1 | ||
| 826 | H | 62.4 | Low | 75.8 | Confident | 67 Ų | 67 | 57 Ų | 57 | 31% | 0.31 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -98.8 | 111.9 | -179.6 | -65.4 | -68.5 | 0 | 0 | 0 | 109.9 | H768 V771 Y775 T824 M828 | H768-H826 AromaticContact CD2-CE1 3.56Å; H768-H826 AromaticContact CD2-ND1 3.63Å; H768-H826 AromaticContact NE2-ND1 3.96Å; V771-H826 HydrophobicContact CG1-CB 4.09Å; Y775-H826 HydrophobicContact CE2-CB 4.42Å; Y775-H826 PolarHBondContact OH-O 2.87Å; T824-H826 PolarHBondContact O-N 3.41Å; T824-H826 VanDerWaalsContact O-N 3.16Å; H826-M828 PolarHBondContact O-N 3.05Å |
| 827 | S | 59.2 | Low | 75.6 | Confident | 119 Ų | 119 | 56.8 Ų | 56.8 | 83% | 0.832 | 34% | 0.341 | S | S | * | . | trans | -67 | 113.8 | -178.9 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 828 | M | 65.8 | Low | 75.4 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 4% | 0.044 | 35% | 0.348 | C | S | . | . | trans | -58.5 | 146 | 168.3 | -173.7 | 161.7 | 83.5 | 0 | 0 | 110.2 | Y775 L778 I821 H826 N830 T832 L833 | Y775-M828 HydrophobicContact CD1-CB 4.14Å; Y775-M828 HydrophobicContact CD1-CG 3.76Å; Y775-M828 HydrophobicContact CD1-SD 3.39Å; Y775-M828 WeakPolarHBondContact CD1-SD 3.43Å; Y775-M828 HydrophobicContact CE1-CB 3.81Å; Y775-M828 HydrophobicContact CE1-CG 3.92Å; Y775-M828 HydrophobicContact CE1-SD 3.6Å; Y775-M828 VanDerWaalsContact CE1-SD 3.6Å; Y775-M828 HydrophobicContact CE2-CB 4.22Å; Y775-M828 HydrophobicContact CG-CG 4.13Å; Y775-M828 HydrophobicContact CG-SD 4.26Å; L778-M828 HydrophobicContact CD2-CE 4.46Å; L778-M828 HydrophobicContact CD2-SD 3.82Å; I821-M828 HydrophobicContact CD1-CE 3.68Å; I821-M828 HydrophobicContact CD1-SD 3.95Å; I821-M828 HydrophobicContact CG2-CB 3.82Å; I821-M828 HydrophobicContact CG2-CE 4.01Å; I821-M828 HydrophobicContact CG2-SD 4.17Å; H826-M828 PolarHBondContact O-N 3.05Å; M828-N830 PolarHBondContact O-N 3.1Å; M828-T832 WeakPolarHBondContact CG-OG1 3.4Å; M828-T832 PolarHBondContact SD-OG1 3.17Å; M828-T832 VanDerWaalsContact SD-OG1 3.42Å; M828-L833 HydrophobicContact CE-CB 3.79Å; M828-L833 HydrophobicContact CE-CG 4.44Å | ||
| 829 | G | 68.1 | Low | 75.3 | Confident | 42 Ų | 42 | 56.6 Ų | 56.6 | 43% | 0.433 | 34% | 0.342 | S | S | . | . | trans | -55.4 | 134.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | S831 T832 L833 | G829-S831 PolarHBondContact O-N 2.67Å; G829-T832 PolarHBondContact O-N 2.99Å; G829-T832 PolarHBondContact O-OG1 3.09Å; G829-L833 PolarHBondContact O-N 2.97Å | ||
| 830 | N | 71.3 | Confident | 75.3 | Confident | 131 Ų | 131 | 52.1 Ų | 52.1 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -53.5 | -30.4 | -176.4 | -72 | -15.2 | 0 | 0 | 0 | 112.9 | M828 N834 | M828-N830 PolarHBondContact O-N 3.1Å; N830-N834 VanDerWaalsContact O-CB 3.25Å; N830-N834 WeakPolarHBondContact O-CB 3.43Å; N830-N834 PolarHBondContact O-N 3.31Å; N830-N834 PolarHBondContact O-ND2 3.41Å; N830-N834 PolarHBondContact O-OD1 2.96Å |
| 831 | S | 73.4 | Confident | 74.9 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 62% | 0.622 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.1 | -42.4 | 178.6 | 50.5 | 0 | 0 | 0 | 0 | 113.8 | G829 L835 | G829-S831 PolarHBondContact O-N 2.67Å; S831-L835 WeakPolarHBondContact O-CB 3.48Å; S831-L835 PolarHBondContact O-N 3.31Å |
| 832 | T | 75.8 | Confident | 74.8 | Confident | 15 Ų | 15 | 55 Ų | 55 | 9% | 0.092 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -77.1 | -32.8 | -177.4 | 53.9 | 0 | 0 | 0 | 0 | 111.6 | S779 M828 G829 L835 L836 | S779-T832 VanDerWaalsContact OG-CG2 3.28Å; S779-T832 WeakPolarHBondContact OG-CG2 3.35Å; M828-T832 WeakPolarHBondContact CG-OG1 3.4Å; M828-T832 PolarHBondContact SD-OG1 3.17Å; M828-T832 VanDerWaalsContact SD-OG1 3.42Å; G829-T832 PolarHBondContact O-N 2.99Å; G829-T832 PolarHBondContact O-OG1 3.09Å; T832-L835 PolarHBondContact O-N 3.37Å; T832-L836 PolarHBondContact O-N 3.09Å |
| 833 | L | 81 | Confident | 74.8 | Confident | 33 Ų | 33 | 50.2 Ų | 50.2 | 17% | 0.173 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.3 | -40.7 | 173.7 | -169.9 | 140 | 0 | 0 | 0 | 110.7 | I821 M828 G829 L835 L836 Q837 | I821-L833 HydrophobicContact CG2-CD1 4.29Å; M828-L833 HydrophobicContact CE-CB 3.79Å; M828-L833 HydrophobicContact CE-CG 4.44Å; G829-L833 PolarHBondContact O-N 2.97Å; L833-L835 VanDerWaalsContact C-N 3.34Å; L833-L835 PolarHBondContact O-N 3.3Å; L833-L836 WeakPolarHBondContact O-CB 3.45Å; L833-L836 PolarHBondContact O-N 2.9Å; L833-Q837 WeakPolarHBondContact O-CG 3.41Å; L833-Q837 PolarHBondContact O-N 3.29Å |
| 834 | N | 79.6 | Confident | 74.7 | Confident | 59 Ų | 59 | 49.1 Ų | 49.1 | 32% | 0.316 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 171.6 | -71.3 | -12.8 | 0 | 0 | 0 | 111.6 | N830 Q837 C838 | N830-N834 VanDerWaalsContact O-CB 3.25Å; N830-N834 WeakPolarHBondContact O-CB 3.43Å; N830-N834 PolarHBondContact O-N 3.31Å; N830-N834 PolarHBondContact O-ND2 3.41Å; N830-N834 PolarHBondContact O-OD1 2.96Å; N834-Q837 PolarHBondContact O-N 3.32Å; N834-C838 WeakPolarHBondContact O-CB 3.27Å; N834-C838 PolarHBondContact O-N 3.28Å; N834-C838 PolarHBondContact O-SG 3.49Å; N834-C838 VanDerWaalsContact O-SG 3.37Å |
| 835 | L | 82.7 | Confident | 74.7 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 25% | 0.246 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 176.6 | -178.1 | 62.8 | 0 | 0 | 0 | 111.7 | L782 A786 S831 T832 L833 Q837 C838 I839 | L782-L835 HydrophobicContact CB-CD2 3.95Å; L782-L835 HydrophobicContact CB-CG 4.39Å; A786-L835 HydrophobicContact CB-CD1 4.05Å; S831-L835 WeakPolarHBondContact O-CB 3.48Å; S831-L835 PolarHBondContact O-N 3.31Å; T832-L835 PolarHBondContact O-N 3.37Å; L833-L835 VanDerWaalsContact C-N 3.34Å; L833-L835 PolarHBondContact O-N 3.3Å; L835-Q837 VanDerWaalsContact C-N 3.34Å; L835-Q837 PolarHBondContact O-N 3.47Å; L835-C838 PolarHBondContact O-N 3.06Å; L835-I839 HydrophobicContact CD1-CD1 4.27Å; L835-I839 HydrophobicContact CD1-CG1 4.39Å; L835-I839 HydrophobicContact CG-CD1 3.97Å; L835-I839 VanDerWaalsContact O-CG1 3.27Å; L835-I839 WeakPolarHBondContact O-CG1 3.5Å; L835-I839 PolarHBondContact O-N 2.85Å |
| 836 | L | 84.8 | Confident | 75.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.2 | -48 | 174.6 | 176.5 | 64.6 | 0 | 0 | 0 | 111.4 | L782 L814 L817 E818 I821 T832 L833 I839 K840 | L782-L836 HydrophobicContact CD1-CB 3.99Å; L782-L836 HydrophobicContact CD1-CD1 4.37Å; L782-L836 HydrophobicContact CD2-CD1 3.69Å; L814-L836 HydrophobicContact CB-CD1 4.17Å; L814-L836 HydrophobicContact CD2-CD1 3.82Å; L814-L836 HydrophobicContact CG-CD1 4.46Å; L817-L836 HydrophobicContact CD2-CD1 3.93Å; L817-L836 HydrophobicContact CD2-CD2 3.63Å; L817-L836 HydrophobicContact CD2-CG 4.45Å; E818-L836 HydrophobicContact CB-CD2 3.83Å; E818-L836 HydrophobicContact CG-CD2 4.27Å; I821-L836 HydrophobicContact CD1-CD2 4.3Å; T832-L836 PolarHBondContact O-N 3.09Å; L833-L836 WeakPolarHBondContact O-CB 3.45Å; L833-L836 PolarHBondContact O-N 2.9Å; L836-I839 PolarHBondContact O-N 3.47Å; L836-K840 HydrophobicContact CG-CD 4.47Å; L836-K840 WeakPolarHBondContact O-CG 3.33Å; L836-K840 PolarHBondContact O-N 3.49Å |
| 837 | Q | 83.4 | Confident | 75.3 | Confident | 76 Ų | 76 | 47.3 Ų | 47.3 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 178.5 | -70.9 | 178.8 | -11.8 | 0 | 0 | 112 | E818 L833 N834 L835 K840 V841 | E818-Q837 PolarHBondContact OE1-NE2 2.65Å; L833-Q837 WeakPolarHBondContact O-CG 3.41Å; L833-Q837 PolarHBondContact O-N 3.29Å; N834-Q837 PolarHBondContact O-N 3.32Å; L835-Q837 VanDerWaalsContact C-N 3.34Å; L835-Q837 PolarHBondContact O-N 3.47Å; Q837-K840 PolarHBondContact O-N 2.91Å; Q837-V841 WeakPolarHBondContact O-CG2 3.44Å; Q837-V841 PolarHBondContact O-N 3.02Å |
| 838 | C | 80 | Confident | 75.6 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 174.9 | -75.4 | 0 | 0 | 0 | 0 | 111.8 | N834 L835 K840 V841 T842 C851 | N834-C838 WeakPolarHBondContact O-CB 3.27Å; N834-C838 PolarHBondContact O-N 3.28Å; N834-C838 PolarHBondContact O-SG 3.49Å; N834-C838 VanDerWaalsContact O-SG 3.37Å; L835-C838 PolarHBondContact O-N 3.06Å; C838-K840 VanDerWaalsContact C-N 3.32Å; C838-K840 PolarHBondContact O-N 3.26Å; C838-V841 PolarHBondContact O-N 3.23Å; C838-T842 PolarHBondContact O-N 3.42Å; C838-T842 PolarHBondContact O-OG1 3.49Å; C838-C851 HydrophobicContact CB-CB 4.17Å |
| 839 | I | 83.7 | Confident | 75.5 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.2 | -44 | 177.7 | -66.9 | 162.3 | 0 | 0 | 0 | 110.6 | L782 L785 A786 L814 L835 L836 V841 T842 L843 | L782-I839 HydrophobicContact CB-CD1 3.94Å; L782-I839 HydrophobicContact CD2-CD1 3.91Å; L782-I839 WeakPolarHBondContact O-CD1 3.29Å; L785-I839 HydrophobicContact CD2-CG2 3.78Å; L785-I839 HydrophobicContact CG-CG2 4.04Å; A786-I839 HydrophobicContact CB-CD1 3.9Å; A786-I839 HydrophobicContact CB-CG1 3.86Å; L814-I839 HydrophobicContact CD1-CG2 4.15Å; L835-I839 HydrophobicContact CD1-CD1 4.27Å; L835-I839 HydrophobicContact CD1-CG1 4.39Å; L835-I839 HydrophobicContact CG-CD1 3.97Å; L835-I839 VanDerWaalsContact O-CG1 3.27Å; L835-I839 WeakPolarHBondContact O-CG1 3.5Å; L835-I839 PolarHBondContact O-N 2.85Å; L836-I839 PolarHBondContact O-N 3.47Å; I839-V841 VanDerWaalsContact C-N 3.32Å; I839-V841 PolarHBondContact O-N 3.49Å; I839-T842 PolarHBondContact O-N 2.95Å; I839-L843 HydrophobicContact CG2-CD1 3.86Å; I839-L843 HydrophobicContact CG2-CG 4.14Å; I839-L843 WeakPolarHBondContact O-CB 3.35Å; I839-L843 WeakPolarHBondContact O-CG 3.5Å; I839-L843 PolarHBondContact O-N 3.36Å |
| 840 | K | 83.8 | Confident | 75.4 | Confident | 34 Ų | 34 | 49.2 Ų | 49.2 | 15% | 0.148 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 176.5 | -71.1 | 172.9 | 67.1 | -173 | 0 | 111.7 | L811 L814 D815 E818 L836 Q837 C838 L843 A844 | L811-K840 HydrophobicContact CD2-CB 4.33Å; L814-K840 HydrophobicContact CB-CD 4.29Å; L814-K840 HydrophobicContact CB-CG 3.94Å; L814-K840 HydrophobicContact CD1-CG 4.17Å; D815-K840 WeakPolarHBondContact OD1-CE 3.43Å; D815-K840 IonicContact OD1-NZ 2.75Å; D815-K840 PolarHBondContact OD1-NZ 3.39Å; E818-K840 IonicContact OE2-NZ 3.16Å; E818-K840 PolarHBondContact OE2-NZ 3.33Å; L836-K840 HydrophobicContact CG-CD 4.47Å; L836-K840 WeakPolarHBondContact O-CG 3.33Å; L836-K840 PolarHBondContact O-N 3.49Å; Q837-K840 PolarHBondContact O-N 2.91Å; C838-K840 VanDerWaalsContact C-N 3.32Å; C838-K840 PolarHBondContact O-N 3.26Å; K840-L843 PolarHBondContact O-N 2.99Å; K840-A844 WeakPolarHBondContact O-CB 3.41Å; K840-A844 PolarHBondContact O-N 3.48Å |
| 841 | V | 75.3 | Confident | 75.1 | Confident | 70 Ų | 70 | 43.6 Ų | 43.6 | 42% | 0.424 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 176.5 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | Q837 C838 I839 L843 A844 T845 I849 | Q837-V841 WeakPolarHBondContact O-CG2 3.44Å; Q837-V841 PolarHBondContact O-N 3.02Å; C838-V841 PolarHBondContact O-N 3.23Å; I839-V841 VanDerWaalsContact C-N 3.32Å; I839-V841 PolarHBondContact O-N 3.49Å; V841-L843 PolarHBondContact O-N 3.35Å; V841-A844 PolarHBondContact O-N 2.9Å; V841-T845 HydrophobicContact CG1-CG2 4.4Å; V841-T845 WeakPolarHBondContact O-CB 3.19Å; V841-T845 VanDerWaalsContact O-CG2 3.28Å; V841-T845 WeakPolarHBondContact O-CG2 3.27Å; V841-T845 PolarHBondContact O-N 3.19Å; V841-T845 PolarHBondContact O-OG1 3.1Å; V841-I849 HydrophobicContact CG1-CB 4.45Å; V841-I849 HydrophobicContact CG1-CD1 4.1Å; V841-I849 HydrophobicContact CG1-CG2 4.44Å |
| 842 | T | 77.1 | Confident | 74.4 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 178.1 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | A789 C838 I839 T845 R846 G847 I849 C851 | A789-T842 HydrophobicContact CB-CG2 3.93Å; C838-T842 PolarHBondContact O-N 3.42Å; C838-T842 PolarHBondContact O-OG1 3.49Å; I839-T842 PolarHBondContact O-N 2.95Å; T842-T845 CarbonylContact O-C 3.56Å; T842-T845 PolarHBondContact O-N 2.84Å; T842-T845 PolarHBondContact O-OG1 3.18Å; T842-R846 PolarHBondContact O-N 2.89Å; T842-R846 VanDerWaalsContact O-N 3.16Å; T842-G847 PolarHBondContact O-N 3.33Å; T842-I849 WeakPolarHBondContact CA-O 3.09Å; T842-I849 WeakPolarHBondContact CB-O 3.47Å; T842-I849 WeakPolarHBondContact CG2-O 3.38Å; T842-I849 PolarHBondContact OG1-O 2.71Å; T842-C851 PolarHBondContact OG1-SG 2.88Å |
| 843 | L | 80.5 | Confident | 72.9 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.7 | -43.3 | 178.7 | -68.1 | -178.2 | 0 | 0 | 0 | 112.3 | L785 A789 L792 F807 L810 L811 L814 I839 K840 V841 T845 R846 | L785-L843 HydrophobicContact CD2-CD1 4.43Å; A789-L843 HydrophobicContact CB-CD2 3.96Å; A789-L843 HydrophobicContact CB-CG 4.42Å; L792-L843 HydrophobicContact CD1-CD2 3.95Å; F807-L843 HydrophobicContact CB-CD2 3.87Å; L810-L843 HydrophobicContact CB-CD1 4.45Å; L811-L843 HydrophobicContact CD2-CB 4.02Å; L811-L843 HydrophobicContact CG-CB 4.34Å; L814-L843 HydrophobicContact CD1-CD1 3.95Å; I839-L843 HydrophobicContact CG2-CD1 3.86Å; I839-L843 HydrophobicContact CG2-CG 4.14Å; I839-L843 WeakPolarHBondContact O-CB 3.35Å; I839-L843 WeakPolarHBondContact O-CG 3.5Å; I839-L843 PolarHBondContact O-N 3.36Å; K840-L843 PolarHBondContact O-N 2.99Å; V841-L843 PolarHBondContact O-N 3.35Å; L843-T845 PolarHBondContact O-N 3.29Å; L843-R846 PolarHBondContact O-N 3.45Å |
| 844 | A | 74.8 | Confident | 70.7 | Confident | 66 Ų | 66 | 53.7 Ų | 53.7 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.3 | -32.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L811 K840 V841 R846 | L811-A844 HydrophobicContact CD1-CB 4.2Å; L811-A844 HydrophobicContact CD2-CB 4.27Å; K840-A844 WeakPolarHBondContact O-CB 3.41Å; K840-A844 PolarHBondContact O-N 3.48Å; V841-A844 PolarHBondContact O-N 2.9Å; A844-R846 VanDerWaalsContact C-N 3.31Å |
| 845 | T | 68.6 | Low | 68.6 | Low | 49 Ų | 49 | 57.6 Ų | 57.6 | 30% | 0.301 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 8.8 | 175.6 | 62.4 | 0 | 0 | 0 | 0 | 113.5 | V841 T842 L843 G847 A848 I849 | V841-T845 HydrophobicContact CG1-CG2 4.4Å; V841-T845 WeakPolarHBondContact O-CB 3.19Å; V841-T845 VanDerWaalsContact O-CG2 3.28Å; V841-T845 WeakPolarHBondContact O-CG2 3.27Å; V841-T845 PolarHBondContact O-N 3.19Å; V841-T845 PolarHBondContact O-OG1 3.1Å; T842-T845 CarbonylContact O-C 3.56Å; T842-T845 PolarHBondContact O-N 2.84Å; T842-T845 PolarHBondContact O-OG1 3.18Å; L843-T845 PolarHBondContact O-N 3.29Å; T845-G847 PolarHBondContact O-N 3.49Å; T845-A848 VanDerWaalsContact O-CB 3.26Å; T845-A848 WeakPolarHBondContact O-CB 3.49Å; T845-A848 PolarHBondContact O-N 3.02Å; T845-A848 VanDerWaalsContact O-N 3.08Å; T845-I849 HydrophobicContact CG2-CD1 3.94Å; T845-I849 HydrophobicContact CG2-CG1 4.26Å; T845-I849 PolarHBondContact OG1-N 2.71Å |
| 846 | R | 67.1 | Low | 65.8 | Low | 121 Ų | 121 | 61.5 Ų | 61.5 | 46% | 0.457 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 34.9 | 179.8 | -57.4 | 179.8 | 173.8 | -129.3 | -12.9 | 113.5 | R804 D805 T842 L843 A844 | R804-R846 HydrophobicContact CB-CB 4.29Å; R804-R846 WeakPolarHBondContact CD-O 3.29Å; R804-R846 HydrophobicContact CG-CB 4.34Å; R804-R846 PolarHBondContact NE-O 3.07Å; D805-R846 IonicContact OD1-CZ 3.76Å; D805-R846 IonicContact OD1-NH1 2.83Å; D805-R846 PolarHBondContact OD1-NH1 3.24Å; D805-R846 IonicContact OD1-NH2 2.87Å; D805-R846 PolarHBondContact OD1-NH2 3.08Å; D805-R846 IonicContact OD2-NH1 3.74Å; T842-R846 PolarHBondContact O-N 2.89Å; T842-R846 VanDerWaalsContact O-N 3.16Å; L843-R846 PolarHBondContact O-N 3.45Å; A844-R846 VanDerWaalsContact C-N 3.31Å |
| 847 | G | 65.8 | Low | 63 | Low | 7 Ų | 7 | 65.4 Ų | 65.4 | 7% | 0.072 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 9.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G793 T842 T845 I849 | G793-G847 WeakPolarHBondContact CA-O 3.02Å; T842-G847 PolarHBondContact O-N 3.33Å; T845-G847 PolarHBondContact O-N 3.49Å; G847-I849 VanDerWaalsContact C-N 3.29Å; G847-I849 PolarHBondContact O-N 3.42Å |
| 848 | A | 64.3 | Low | 60.2 | Low | 82 Ų | 82 | 67.9 Ų | 67.9 | 68% | 0.678 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -70 | -26 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | T845 | T845-A848 VanDerWaalsContact O-CB 3.26Å; T845-A848 WeakPolarHBondContact O-CB 3.49Å; T845-A848 PolarHBondContact O-N 3.02Å; T845-A848 VanDerWaalsContact O-N 3.08Å |
| 849 | I | 64.2 | Low | 57.7 | Low | 84 Ų | 84 | 72.2 Ų | 72.2 | 43% | 0.431 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -116.1 | 114.5 | 173.5 | -56.1 | 178.9 | 0 | 0 | 0 | 107.1 | V841 T842 T845 G847 | V841-I849 HydrophobicContact CG1-CB 4.45Å; V841-I849 HydrophobicContact CG1-CD1 4.1Å; V841-I849 HydrophobicContact CG1-CG2 4.44Å; T842-I849 WeakPolarHBondContact CA-O 3.09Å; T842-I849 WeakPolarHBondContact CB-O 3.47Å; T842-I849 WeakPolarHBondContact CG2-O 3.38Å; T842-I849 PolarHBondContact OG1-O 2.71Å; T845-I849 HydrophobicContact CG2-CD1 3.94Å; T845-I849 HydrophobicContact CG2-CG1 4.26Å; T845-I849 PolarHBondContact OG1-N 2.71Å; G847-I849 VanDerWaalsContact C-N 3.29Å; G847-I849 PolarHBondContact O-N 3.42Å |
| 850 | P | 67.1 | Low | 54.9 | Low | 43 Ų | 43 | 78.9 Ų | 78.9 | 28% | 0.279 | 47% | 0.466 | S | S | . | . | trans | -74.5 | 154.7 | 175.8 | 30.9 | -33.4 | 0 | 0 | 0 | 111.1 | H852 D853 | P850-H852 PolarHBondContact O-N 2.94Å; P850-D853 HydrophobicContact CG-CB 4.3Å; P850-D853 VanDerWaalsContact CG-OD2 3.24Å; P850-D853 WeakPolarHBondContact CG-OD2 3.48Å; P850-D853 PolarHBondContact O-N 3.46Å | ||
| 851 | C | 64.9 | Low | 52.1 | Low | 13 Ų | 13 | 84 Ų | 84 | 9% | 0.088 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.6 | -175.7 | -60 | 0 | 0 | 0 | 0 | 114.3 | N790 C838 T842 | N790-C851 VanDerWaalsContact OD1-CB 3.28Å; N790-C851 WeakPolarHBondContact OD1-CB 3.41Å; N790-C851 PolarHBondContact OD1-N 3.31Å; N790-C851 PolarHBondContact OD1-SG 3.19Å; C838-C851 HydrophobicContact CB-CB 4.17Å; T842-C851 PolarHBondContact OG1-SG 2.88Å |
| 852 | H | 58.9 | Low | 49.7 | Very low | 149 Ų | 149 | 87.3 Ų | 87.3 | 69% | 0.69 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -13.6 | -172.7 | -64.9 | -68.3 | 0 | 0 | 0 | 115.2 | N790 P850 S854 | N790-H852 PolarHBondContact ND2-CD2 2.91Å; N790-H852 PolarHBondContact ND2-NE2 3.47Å; N790-H852 VanDerWaalsContact ND2-NE2 3.13Å; P850-H852 PolarHBondContact O-N 2.94Å; H852-S854 PolarHBondContact O-N 2.88Å |
| 853 | D | 43.1 | Very low | 47.2 | Very low | 129 Ų | 129 | 94.8 Ų | 94.8 | 69% | 0.69 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 6.8 | -167.4 | -82 | -15.2 | 0 | 0 | 0 | 115.8 | P850 | P850-D853 HydrophobicContact CG-CB 4.3Å; P850-D853 VanDerWaalsContact CG-OD2 3.24Å; P850-D853 WeakPolarHBondContact CG-OD2 3.48Å; P850-D853 PolarHBondContact O-N 3.46Å |
| 854 | S | 35.9 | Very low | 44.5 | Very low | 71 Ų | 71 | 104.6 Ų | 104.6 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.8 | 6 | -175.8 | 47.1 | 0 | 0 | 0 | 0 | 116.6 | H852 | H852-S854 PolarHBondContact O-N 2.88Š|
| 855 | F | 34.7 | Very low | 42.2 | Very low | 141 Ų | 141 | 110.5 Ų | 110.5 | 62% | 0.618 | 60% | 0.602 | S | S | * | * | trans | -140.3 | 78.8 | 172.5 | -71 | -79 | 0 | 0 | 0 | 113.5 | S857 | F855-S857 PolarHBondContact O-N 3.33Å; F855-S857 VanDerWaalsContact O-N 3.13Å | ||
| 856 | S | 24.7 | Very low | 40.1 | Very low | 129 Ų | 129 | 114.1 Ų | 114.1 | 90% | 0.902 | 62% | 0.624 | S | S | * | * | trans | -80.1 | 71.9 | 158.8 | 64.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 857 | S | 24.2 | Very low | 38 | Very low | 83 Ų | 83 | 116.5 Ų | 116.5 | 58% | 0.58 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -163.4 | 116.7 | 157.9 | 58 | 0 | 0 | 0 | 0 | 110.1 | F855 | F855-S857 PolarHBondContact O-N 3.33Å; F855-S857 VanDerWaalsContact O-N 3.13Å |
| 858 | T | 25 | Very low | 35.9 | Very low | 127 Ų | 127 | 122.5 Ų | 122.5 | 78% | 0.779 | 68% | 0.679 | S | S | * | * | trans | 69.6 | 124.1 | 171.6 | 58 | 0 | 0 | 0 | 0 | 117.5 | V860 | T858-V860 PolarHBondContact O-N 2.71Š| ||
| 859 | P | 27.5 | Very low | 33.9 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 74% | 0.74 | 68% | 0.682 | S | S | * | * | trans | -77 | 120.7 | 175.9 | 32.1 | -29.3 | 0 | 0 | 0 | 109.1 | N861 | P859-N861 PolarHBondContact O-N 3.24Å; P859-N861 VanDerWaalsContact O-N 3.1Å | ||
| 860 | V | 26.2 | Very low | 32.1 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | trans | -83.9 | 67.5 | 159.9 | -174.7 | 0 | 0 | 0 | 0 | 107.3 | T858 | T858-V860 PolarHBondContact O-N 2.71Š| ||
| 861 | N | 24.9 | Very low | 30 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | trans | -102.9 | 97.4 | 151.8 | -94.5 | -0.9 | 0 | 0 | 0 | 104.7 | P859 | P859-N861 PolarHBondContact O-N 3.24Å; P859-N861 VanDerWaalsContact O-N 3.1Å | ||
| 862 | N | 24 | Very low | 28 | Very low | 141 Ų | 141 | 141 Ų | 141 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | -175.3 | 76.5 | 158.1 | -95 | -16 | 0 | 0 | 0 | 110.1 | ||||
| 863 | L | 24.7 | Very low | 26.3 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -133.1 | 108.5 | 137.3 | -89.3 | 165.9 | 0 | 0 | 0 | 105.7 | ||
| 864 | Y | 24.3 | Very low | 25.4 | Very low | 209 Ų | 209 | 142 Ų | 142 | 82% | 0.82 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 72.5 | 85.9 | -177.3 | -51.2 | -78.2 | 0 | 0 | 0 | 116.1 | ||
| 865 | F | 25.6 | Very low | 24.7 | Very low | 191 Ų | 191 | 142.9 Ų | 142.9 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | -177.8 | 111.6 | 117.2 | -106.7 | -79.5 | 0 | 0 | 0 | 109.6 | |||||
| 866 | T | 25.2 | Very low | 24.2 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -80.8 | 121.3 | 168.4 | -35.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 867 | E | 23.4 | Very low | 24.1 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 30.5 | 126.4 | 148.2 | -61.1 | 175.7 | 161.3 | 0 | 0 | 118.6 | ||||
| 868 | C | 21.8 | Very low | 24 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 89% | 0.892 | 78% | 0.776 | S | S | * | * | -142.4 | 130.8 | 62.2 | -72.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 869 | N | 22.6 | Very low | 23.9 | Very low | 138 Ų | 138 | 151 Ų | 151 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -81.1 | 156.3 | 159.8 | -97.2 | -24.4 | 0 | 0 | 0 | 111.1 | ||||
| 870 | F | 24.5 | Very low | 23.7 | Very low | 196 Ų | 196 | 148.7 Ų | 148.7 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | -161.6 | 109.3 | 116 | -92 | -67.9 | 0 | 0 | 0 | 110.1 | |||||
| 871 | D | 23.5 | Very low | 23.6 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | 52.6 | 132.1 | 129.7 | -73.5 | 7.5 | 0 | 0 | 0 | 120 | |||||
| 872 | K | 24.4 | Very low | 23.5 | Very low | 168 Ų | 168 | 152.6 Ų | 152.6 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | cis | -174.5 | 140.9 | 33.5 | -113 | 157.5 | -173.1 | 175.8 | 0 | 110.3 | ||||
| 873 | V | 21.8 | Very low | 23.5 | Very low | 113 Ų | 113 | 155 Ų | 155 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | 59.5 | 122.6 | 125.4 | -176.8 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 874 | E | 24.2 | Very low | 23.4 | Very low | 184 Ų | 184 | 159.5 Ų | 159.5 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | -168.8 | 145.7 | 53.8 | -137.3 | 147 | -130.2 | 0 | 0 | 109.8 | |||||
| 875 | A | 21.1 | Very low | 23.5 | Very low | 91 Ų | 91 | 158.4 Ų | 158.4 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -97.6 | 151.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 876 | E | 24 | Very low | 23.4 | Very low | 198 Ų | 198 | 156.1 Ų | 156.1 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | trans | -157.8 | 155.5 | 145.5 | -113.7 | 175.9 | -149.5 | 0 | 0 | 112.3 | ||||
| 877 | T | 23 | Very low | 23.3 | Very low | 126 Ų | 126 | 158 Ų | 158 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -105.4 | 152 | -140.3 | -8.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 878 | Y | 23.1 | Very low | 23.4 | Very low | 145 Ų | 145 | 158.1 Ų | 158.1 | 57% | 0.569 | 77% | 0.771 | S | S | * | * | trans | -10.3 | 141.1 | 150.2 | -75.5 | -91.5 | 0 | 0 | 0 | 119.7 | S655 | S655-Y878 WeakPolarHBondContact CB-OH 3.47Å; S655-Y878 PolarHBondContact OG-OH 3.41Å; S655-Y878 VanDerWaalsContact OG-OH 3.08Å | ||
| 879 | Q | 22.3 | Very low | 23.7 | Very low | 180 Ų | 180 | 161 Ų | 161 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | -179.7 | 128.7 | 97.7 | -94.7 | -175.9 | 4.1 | 0 | 0 | 115.5 | |||||
| 880 | S | 23.3 | Very low | 23.9 | Very low | 67 Ų | 67 | 159.8 Ų | 159.8 | 47% | 0.469 | 77% | 0.769 | S | S | . | * | trans | 4.2 | 143.8 | 146.3 | 58.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 881 | K | 23 | Very low | 23.8 | Very low | 164 Ų | 164 | 154 Ų | 154 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | 174.6 | 137 | 98.8 | -102.4 | 177.4 | 172.9 | -172.8 | 0 | 116.2 | |||||
| 882 | Y | 24.1 | Very low | 23.9 | Very low | 199 Ų | 199 | 155.8 Ų | 155.8 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | trans | 72.8 | 128.7 | 142.3 | -67.3 | -58.3 | 0 | 0 | 0 | 125.7 | ||||
| 883 | H | 24.5 | Very low | 24.1 | Very low | 190 Ų | 190 | 151.9 Ų | 151.9 | 88% | 0.88 | 77% | 0.766 | S | S | * | * | trans | -54.5 | 149.4 | 154.1 | -80.3 | -48.4 | 0 | 0 | 0 | 114.7 | ||||
| 884 | R | 22.2 | Very low | 24.5 | Very low | 253 Ų | 253 | 153.3 Ų | 153.3 | 96% | 0.955 | 77% | 0.77 | S | S | * | * | -148.5 | 152.5 | 129.7 | -134.3 | 177.8 | -169.9 | 174 | 2.1 | 112.2 | |||||
| 885 | K | 25.2 | Very low | 25.1 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -114 | 161.5 | 179 | -142.4 | -177.7 | -163.1 | -178.1 | 0 | 107.4 | ||||
| 886 | I | 24 | Very low | 26 | Very low | 144 Ų | 144 | 151 Ų | 151 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 94.4 | 106.6 | 157.5 | -57.2 | 152.8 | 0 | 0 | 0 | 115.9 | ||
| 887 | I | 24 | Very low | 26.6 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | trans | 37.4 | 102.8 | 144.3 | -52.4 | 170.9 | 0 | 0 | 0 | 114.9 | ||||
| 888 | E | 26 | Very low | 27.4 | Very low | 175 Ų | 175 | 147 Ų | 147 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -128.4 | 108.9 | 164.2 | -138.6 | 169.1 | -158.1 | 0 | 0 | 107.6 | V890 | E888-V890 HydrophobicContact CB-CG2 4.11Å; E888-V890 HydrophobicContact CG-CG2 3.89Å; E888-V890 PolarHBondContact O-N 2.92Å | ||
| 889 | E | 27 | Very low | 28.4 | Very low | 193 Ų | 193 | 140.8 Ų | 140.8 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | trans | -61.5 | 109.9 | 159.4 | -77.5 | 175.7 | 140.9 | 0 | 0 | 107.4 | ||||
| 890 | V | 25.9 | Very low | 29.4 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 68% | 0.679 | 70% | 0.702 | S | S | * | * | trans | -132 | 100.5 | 172.6 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | E888 | E888-V890 HydrophobicContact CB-CG2 4.11Å; E888-V890 HydrophobicContact CG-CG2 3.89Å; E888-V890 PolarHBondContact O-N 2.92Å | ||
| 891 | A | 24.3 | Very low | 30.6 | Very low | 76 Ų | 76 | 140.5 Ų | 140.5 | 63% | 0.628 | 70% | 0.704 | S | S | * | * | trans | 20 | 103.6 | 144.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | S893 | A891-S893 PolarHBondContact O-N 3.43Å; A891-S893 PolarHBondContact O-OG 3Å | ||
| 892 | V | 25.1 | Very low | 31.8 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 89% | 0.885 | 67% | 0.674 | S | S | * | * | trans | -57.2 | 100.6 | 152.9 | 179.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 893 | S | 27.3 | Very low | 33 | Very low | 87 Ų | 87 | 124.8 Ų | 124.8 | 61% | 0.608 | 65% | 0.645 | S | S | * | * | trans | -125.5 | 125.1 | 175.6 | -40.9 | 0 | 0 | 0 | 0 | 109 | A891 | A891-S893 PolarHBondContact O-N 3.43Å; A891-S893 PolarHBondContact O-OG 3Å | ||
| 894 | N | 31.4 | Very low | 34.4 | Very low | 142 Ų | 142 | 122.2 Ų | 122.2 | 76% | 0.759 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 84.2 | 55.8 | 165 | -55.2 | -7 | 0 | 0 | 0 | 118.3 | ||
| 895 | L | 37.4 | Very low | 36.2 | Very low | 65 Ų | 65 | 116.4 Ų | 116.4 | 34% | 0.34 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -98.7 | -20.5 | 151.8 | -85.6 | 157.2 | 0 | 0 | 0 | 113 | D897 Q899 K957 | L895-D897 PolarHBondContact O-N 3.49Å; L895-Q899 PolarHBondContact O-OE1 3.33Å; L895-K957 HydrophobicContact CD2-CD 3.73Å; L895-K957 HydrophobicContact CD2-CG 3.99Å; L895-K957 PolarHBondContact O-NZ 3.1Å |
| 896 | Q | 38.2 | Very low | 38.1 | Very low | 162 Ų | 162 | 107.9 Ų | 107.9 | 76% | 0.757 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.7 | -30.1 | -163.5 | -72.8 | 177.9 | -17.5 | 0 | 0 | 116.1 | V898 | Q896-V898 PolarHBondContact O-N 3.02Å |
| 897 | D | 38.5 | Very low | 40.2 | Very low | 146 Ų | 146 | 110 Ų | 110 | 78% | 0.781 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -80.4 | -6.6 | -163.7 | -68.9 | -27.2 | 0 | 0 | 0 | 116.8 | L895 | L895-D897 PolarHBondContact O-N 3.49Å |
| 898 | V | 39.6 | Very low | 42.8 | Very low | 95 Ų | 95 | 104.4 Ų | 104.4 | 58% | 0.576 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -113.5 | -16.4 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 112.6 | Q896 S901 | Q896-V898 PolarHBondContact O-N 3.02Å; V898-S901 PolarHBondContact O-OG 3.43Å |
| 899 | Q | 42.9 | Very low | 45.5 | Very low | 14 Ų | 14 | 100.9 Ų | 100.9 | 7% | 0.065 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -98.2 | -14.5 | -166.3 | -80 | 162.5 | -56.8 | 0 | 0 | 115 | L895 S901 A902 K957 | L895-Q899 PolarHBondContact O-OE1 3.33Å; Q899-S901 VanDerWaalsContact C-N 3.26Å; Q899-S901 PolarHBondContact O-N 3.16Å; Q899-A902 PolarHBondContact O-N 3.28Å; Q899-K957 VanDerWaalsContact CD-NZ 3.34Å; Q899-K957 HydrophobicContact CG-CD 4.33Å |
| 900 | Q | 44.1 | Very low | 48.2 | Very low | 167 Ų | 167 | 95.4 Ų | 95.4 | 78% | 0.78 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -17.3 | 171.6 | -112.6 | 164.9 | -0.2 | 0 | 0 | 113.7 | N904 | Q900-N904 PolarHBondContact O-ND2 2.96Š|
| 901 | S | 47.3 | Very low | 51.1 | Low | 73 Ų | 73 | 90.1 Ų | 90.1 | 51% | 0.51 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -28.7 | 172.6 | 73.2 | 0 | 0 | 0 | 0 | 112.8 | V898 Q899 | V898-S901 PolarHBondContact O-OG 3.43Å; Q899-S901 VanDerWaalsContact C-N 3.26Å; Q899-S901 PolarHBondContact O-N 3.16Å |
| 902 | A | 48.4 | Very low | 54 | Low | 9 Ų | 9 | 90.4 Ų | 90.4 | 7% | 0.074 | 49% | 0.49 | C | S | . | . | G | 310 helix | trans | -68 | -43.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q899 N904 Q905 L950 | Q899-A902 PolarHBondContact O-N 3.28Å; A902-N904 PolarHBondContact O-N 3.42Å; A902-Q905 PolarHBondContact O-N 3.22Å; A902-L950 HydrophobicContact CB-CD2 3.63Å; A902-L950 HydrophobicContact CB-CG 4.39Å |
| 903 | C | 50.1 | Low | 57 | Low | 25 Ų | 25 | 89.3 Ų | 89.3 | 17% | 0.169 | 47% | 0.473 | C | S | . | . | G | 310 helix | trans | -64.3 | -21.4 | -179.9 | -86.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 904 | N | 53.7 | Low | 60 | Low | 135 Ų | 135 | 85.5 Ų | 85.5 | 72% | 0.722 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -83.9 | -13.2 | -178.3 | -69.3 | -25.5 | 0 | 0 | 0 | 113.4 | Q900 A902 | Q900-N904 PolarHBondContact O-ND2 2.96Å; A902-N904 PolarHBondContact O-N 3.42Å |
| 905 | Q | 60.5 | Low | 62.8 | Low | 132 Ų | 132 | 78.9 Ų | 78.9 | 62% | 0.617 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -94.3 | -1.7 | 180 | -65.2 | -175.6 | -3.2 | 0 | 0 | 113.5 | A902 L950 | A902-Q905 PolarHBondContact O-N 3.22Å; Q905-L950 HydrophobicContact CB-CD1 4.1Å |
| 906 | L | 65.2 | Low | 65.2 | Low | 6 Ų | 6 | 81.6 Ų | 81.6 | 3% | 0.031 | 42% | 0.421 | C | S | . | . | trans | -92.6 | 112.4 | -174.7 | -66.6 | 170.7 | 0 | 0 | 0 | 111.6 | L911 K912 F915 H947 | L906-L911 HydrophobicContact CD1-CD2 4.33Å; L906-L911 HydrophobicContact CD2-CB 4.5Å; L906-L911 HydrophobicContact CD2-CD2 3.41Å; L906-L911 VanDerWaalsContact CD2-CD2 3.41Å; L906-K912 HydrophobicContact CB-CB 4.46Å; L906-K912 HydrophobicContact CB-CG 4.43Å; L906-F915 HydrophobicContact CD1-CB 3.76Å; L906-F915 HydrophobicContact CD1-CD1 3.77Å; L906-F915 HydrophobicContact CD1-CD2 3.79Å; L906-F915 HydrophobicContact CD1-CE1 4.26Å; L906-F915 HydrophobicContact CD1-CE2 4.31Å; L906-F915 HydrophobicContact CD1-CG 3.49Å; L906-F915 VanDerWaalsContact CD1-CG 3.49Å; L906-H947 HydrophobicContact CD2-CB 4.44Å; L906-H947 VanDerWaalsContact CD2-CD2 3.47Å; L906-H947 WeakPolarHBondContact CD2-CD2 3.4Å | ||
| 907 | E | 67.6 | Low | 67.6 | Low | 188 Ų | 188 | 75.9 Ų | 75.9 | 88% | 0.879 | 40% | 0.395 | S | S | * | . | trans | -82.9 | -29.8 | 177.4 | -65.9 | -171 | 170.4 | 0 | 0 | 113.2 | ||||
| 908 | D | 79.3 | Confident | 70 | Confident | 44 Ų | 44 | 69 Ų | 69 | 24% | 0.235 | 36% | 0.358 | C | S | . | . | trans | -84.8 | 126.7 | -174.8 | -163.7 | -72 | 0 | 0 | 0 | 112.2 | T910 L911 K912 C943 | D908-T910 VanDerWaalsContact C-N 3.26Å; D908-T910 PolarHBondContact O-N 3.26Å; D908-T910 WeakPolarHBondContact OD1-CB 3.36Å; D908-T910 PolarHBondContact OD1-N 3.34Å; D908-T910 VanDerWaalsContact OD1-N 3.07Å; D908-T910 PolarHBondContact OD1-OG1 3.16Å; D908-L911 HydrophobicContact CB-CB 4.33Å; D908-L911 PolarHBondContact O-N 3.3Å; D908-K912 WeakPolarHBondContact O-CB 3.37Å; D908-K912 PolarHBondContact O-N 3.48Å; D908-C943 HydrophobicContact CB-CB 4.06Å; D908-C943 VanDerWaalsContact CG-CB 3.45Å; D908-C943 WeakPolarHBondContact OD2-CB 3.46Å | ||
| 909 | P | 81 | Confident | 72 | Confident | 101 Ų | 101 | 68.6 Ų | 68.6 | 66% | 0.656 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.1 | -32.1 | -173.8 | 26.1 | -34.8 | 0 | 0 | 0 | 112.8 | K913 | P909-K913 PolarHBondContact O-N 3.4Å; P909-K913 VanDerWaalsContact O-N 3.09Å |
| 910 | T | 85 | Confident | 74 | Confident | 79 Ų | 79 | 70.4 Ų | 70.4 | 49% | 0.485 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.2 | -46 | -178.6 | -14.5 | 0 | 0 | 0 | 0 | 110.5 | D908 K913 I914 | D908-T910 VanDerWaalsContact C-N 3.26Å; D908-T910 PolarHBondContact O-N 3.26Å; D908-T910 WeakPolarHBondContact OD1-CB 3.36Å; D908-T910 PolarHBondContact OD1-N 3.34Å; D908-T910 VanDerWaalsContact OD1-N 3.07Å; D908-T910 PolarHBondContact OD1-OG1 3.16Å; T910-K913 PolarHBondContact O-N 2.93Å; T910-I914 WeakPolarHBondContact O-CG1 3.24Å; T910-I914 PolarHBondContact O-N 2.99Å |
| 911 | L | 86.1 | Confident | 75.7 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70 | -36.9 | 179.8 | -135.3 | 133.9 | 0 | 0 | 0 | 111.2 | L906 D908 K913 I914 F915 C943 I944 I951 | L906-L911 HydrophobicContact CD1-CD2 4.33Å; L906-L911 HydrophobicContact CD2-CB 4.5Å; L906-L911 HydrophobicContact CD2-CD2 3.41Å; L906-L911 VanDerWaalsContact CD2-CD2 3.41Å; D908-L911 HydrophobicContact CB-CB 4.33Å; D908-L911 PolarHBondContact O-N 3.3Å; L911-K913 PolarHBondContact O-N 3.04Å; L911-I914 PolarHBondContact O-N 3.37Å; L911-F915 HydrophobicContact CD2-CD2 3.79Å; L911-F915 HydrophobicContact CD2-CE2 3.4Å; L911-F915 HydrophobicContact CD2-CZ 4.27Å; L911-F915 HydrophobicContact CG-CE2 4.49Å; L911-F915 VanDerWaalsContact O-CD2 3.3Å; L911-F915 WeakPolarHBondContact O-CD2 3.36Å; L911-F915 PolarHBondContact O-N 3.33Å; L911-C943 HydrophobicContact CD1-CB 3.98Å; L911-C943 VanDerWaalsContact CD1-O 3.23Å; L911-C943 WeakPolarHBondContact CD1-O 3.43Å; L911-I944 HydrophobicContact CD1-CG1 4.33Å; L911-I951 HydrophobicContact CD2-CD1 4.42Å |
| 912 | K | 85.4 | Confident | 77.1 | Confident | 83 Ų | 83 | 69.9 Ų | 69.9 | 36% | 0.361 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 175 | -154.1 | 170.3 | -169 | 165 | 0 | 112.2 | L906 D908 F915 E916 | L906-K912 HydrophobicContact CB-CB 4.46Å; L906-K912 HydrophobicContact CB-CG 4.43Å; D908-K912 WeakPolarHBondContact O-CB 3.37Å; D908-K912 PolarHBondContact O-N 3.48Å; K912-F915 PolarHBondContact O-N 3.48Å; K912-E916 WeakPolarHBondContact O-CG 3.44Å; K912-E916 PolarHBondContact O-N 3.46Å |
| 913 | K | 89 | Confident | 78.7 | Confident | 123 Ų | 123 | 72.1 Ų | 72.1 | 54% | 0.535 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 176.1 | -165.6 | -170.9 | 179.7 | -150.6 | 0 | 112.5 | P909 T910 L911 F915 E916 E917 | P909-K913 PolarHBondContact O-N 3.4Å; P909-K913 VanDerWaalsContact O-N 3.09Å; T910-K913 PolarHBondContact O-N 2.93Å; L911-K913 PolarHBondContact O-N 3.04Å; K913-F915 VanDerWaalsContact C-N 3.3Å; K913-F915 PolarHBondContact O-N 3.23Å; K913-E916 WeakPolarHBondContact O-CB 3.47Å; K913-E916 PolarHBondContact O-N 3.29Å; K913-E917 WeakPolarHBondContact CE-OE1 3.25Å; K913-E917 IonicContact NZ-OE1 2.62Å; K913-E917 PolarHBondContact NZ-OE1 2.91Å; K913-E917 WeakPolarHBondContact O-CG 3.4Å; K913-E917 PolarHBondContact O-N 2.96Å |
| 914 | I | 90.5 | Very high | 80.1 | Confident | 6 Ų | 6 | 75 Ų | 75 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.3 | -43 | 176.1 | -68.8 | 167.9 | 0 | 0 | 0 | 110.5 | T910 L911 E916 E917 L918 A929 V932 L933 L936 | T910-I914 WeakPolarHBondContact O-CG1 3.24Å; T910-I914 PolarHBondContact O-N 2.99Å; L911-I914 PolarHBondContact O-N 3.37Å; I914-E916 VanDerWaalsContact C-N 3.33Å; I914-E916 PolarHBondContact O-N 2.68Å; I914-E917 PolarHBondContact O-N 2.78Å; I914-L918 HydrophobicContact CG2-CD1 4.43Å; I914-L918 WeakPolarHBondContact O-CG 3.34Å; I914-L918 PolarHBondContact O-N 3.3Å; I914-A929 HydrophobicContact CG2-CB 4.21Å; I914-V932 HydrophobicContact CD1-CB 4.34Å; I914-V932 HydrophobicContact CD1-CG1 3.63Å; I914-V932 HydrophobicContact CG1-CB 4.5Å; I914-V932 HydrophobicContact CG1-CG1 4.06Å; I914-L933 HydrophobicContact CG2-CB 4.11Å; I914-L933 HydrophobicContact CG2-CD1 4.43Å; I914-L936 HydrophobicContact CD1-CD1 3.32Å |
| 915 | F | 89.7 | Confident | 81.7 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 1% | 0.013 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.1 | -33.4 | 176.7 | -87.3 | -115.7 | 0 | 0 | 0 | 112.3 | L906 L911 K912 K913 L918 H919 L950 I951 V954 | L906-F915 HydrophobicContact CD1-CB 3.76Å; L906-F915 HydrophobicContact CD1-CD1 3.77Å; L906-F915 HydrophobicContact CD1-CD2 3.79Å; L906-F915 HydrophobicContact CD1-CE1 4.26Å; L906-F915 HydrophobicContact CD1-CE2 4.31Å; L906-F915 HydrophobicContact CD1-CG 3.49Å; L906-F915 VanDerWaalsContact CD1-CG 3.49Å; L911-F915 HydrophobicContact CD2-CD2 3.79Å; L911-F915 HydrophobicContact CD2-CE2 3.4Å; L911-F915 HydrophobicContact CD2-CZ 4.27Å; L911-F915 HydrophobicContact CG-CE2 4.49Å; L911-F915 VanDerWaalsContact O-CD2 3.3Å; L911-F915 WeakPolarHBondContact O-CD2 3.36Å; L911-F915 PolarHBondContact O-N 3.33Å; K912-F915 PolarHBondContact O-N 3.48Å; K913-F915 VanDerWaalsContact C-N 3.3Å; K913-F915 PolarHBondContact O-N 3.23Å; F915-L918 HydrophobicContact CD2-CD1 4.44Å; F915-L918 HydrophobicContact CG-CD1 4.5Å; F915-H919 PolarHBondContact O-CE1 3.02Å; F915-H919 PolarHBondContact O-ND1 2.91Å; F915-L950 HydrophobicContact CE1-CD2 3.58Å; F915-L950 HydrophobicContact CZ-CD2 3.97Å; F915-I951 HydrophobicContact CE2-CG1 4.4Å; F915-I951 HydrophobicContact CZ-CG1 4.21Å; F915-V954 HydrophobicContact CE1-CG2 3.85Å; F915-V954 HydrophobicContact CZ-CG2 4.38Å |
| 916 | E | 87 | Confident | 83 | Confident | 122 Ų | 122 | 65.4 Ų | 65.4 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.8 | -46.8 | 169.8 | -74.3 | 173.6 | 176.8 | 0 | 0 | 111.9 | K912 K913 I914 L918 H919 | K912-E916 WeakPolarHBondContact O-CG 3.44Å; K912-E916 PolarHBondContact O-N 3.46Å; K913-E916 WeakPolarHBondContact O-CB 3.47Å; K913-E916 PolarHBondContact O-N 3.29Å; I914-E916 VanDerWaalsContact C-N 3.33Å; I914-E916 PolarHBondContact O-N 2.68Å; E916-L918 VanDerWaalsContact C-N 3.28Å; E916-L918 PolarHBondContact O-N 2.91Å; E916-H919 PolarHBondContact O-N 3.2Å |
| 917 | E | 89.2 | Confident | 84 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.5 | -30.6 | 178.4 | -71.3 | 176.7 | -170.3 | 0 | 0 | 112.5 | K913 I914 H919 D920 V925 A929 | K913-E917 WeakPolarHBondContact CE-OE1 3.25Å; K913-E917 IonicContact NZ-OE1 2.62Å; K913-E917 PolarHBondContact NZ-OE1 2.91Å; K913-E917 WeakPolarHBondContact O-CG 3.4Å; K913-E917 PolarHBondContact O-N 2.96Å; I914-E917 PolarHBondContact O-N 2.78Å; E917-H919 PolarHBondContact O-N 3.36Å; E917-D920 VanDerWaalsContact O-CB 3.29Å; E917-D920 WeakPolarHBondContact O-CB 3.45Å; E917-D920 PolarHBondContact O-N 3.44Å; E917-D920 VanDerWaalsContact O-N 3.11Å; E917-V925 HydrophobicContact CB-CG1 4.04Å; E917-V925 HydrophobicContact CG-CG1 4.28Å; E917-A929 HydrophobicContact CB-CB 3.73Å |
| 918 | L | 88.6 | Confident | 85 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.2 | -24.2 | 170.9 | -78.9 | 171.6 | 0 | 0 | 0 | 112.6 | I914 F915 E916 Q926 A929 L930 V954 Y958 | I914-L918 HydrophobicContact CG2-CD1 4.43Å; I914-L918 WeakPolarHBondContact O-CG 3.34Å; I914-L918 PolarHBondContact O-N 3.3Å; F915-L918 HydrophobicContact CD2-CD1 4.44Å; F915-L918 HydrophobicContact CG-CD1 4.5Å; E916-L918 VanDerWaalsContact C-N 3.28Å; E916-L918 PolarHBondContact O-N 2.91Å; L918-Q926 WeakPolarHBondContact O-CG 3.23Å; L918-A929 HydrophobicContact CD2-CB 3.91Å; L918-A929 HydrophobicContact CG-CB 3.8Å; L918-L930 HydrophobicContact CD2-CD2 3.71Å; L918-L930 HydrophobicContact CD2-CG 3.67Å; L918-V954 HydrophobicContact CD1-CG1 4.26Å; L918-Y958 HydrophobicContact CB-CE2 4.43Å; L918-Y958 HydrophobicContact CD1-CE2 4.34Å; L918-Y958 HydrophobicContact CD2-CD2 4.5Å; L918-Y958 HydrophobicContact CD2-CE2 3.87Å; L918-Y958 HydrophobicContact CG-CE2 4.45Å; L918-Y958 PolarHBondContact O-OH 3.5Å |
| 919 | H | 81.8 | Confident | 85.7 | Confident | 88 Ų | 88 | 58.3 Ų | 58.3 | 41% | 0.407 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 3.7 | 177.2 | -63.6 | 87.7 | 0 | 0 | 0 | 113.4 | F915 E916 E917 | F915-H919 PolarHBondContact O-CE1 3.02Å; F915-H919 PolarHBondContact O-ND1 2.91Å; E916-H919 PolarHBondContact O-N 3.2Å; E917-H919 PolarHBondContact O-N 3.36Å |
| 920 | D | 84 | Confident | 86.3 | Confident | 52 Ų | 52 | 53.5 Ų | 53.5 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | trans | -64.9 | 137.1 | 178.6 | -167.9 | -71 | 0 | 0 | 0 | 110.5 | E917 L922 V925 Q926 | E917-D920 VanDerWaalsContact O-CB 3.29Å; E917-D920 WeakPolarHBondContact O-CB 3.45Å; E917-D920 PolarHBondContact O-N 3.44Å; E917-D920 VanDerWaalsContact O-N 3.11Å; D920-L922 PolarHBondContact O-N 2.98Å; D920-L922 VanDerWaalsContact O-N 3.16Å; D920-L922 VanDerWaalsContact OD1-CB 3.22Å; D920-L922 WeakPolarHBondContact OD1-CB 3.13Å; D920-L922 PolarHBondContact OD1-N 3.26Å; D920-V925 HydrophobicContact CB-CB 3.77Å; D920-V925 HydrophobicContact CB-CG1 3.51Å; D920-Q926 WeakPolarHBondContact O-CG 3.29Å; D920-Q926 PolarHBondContact O-NE2 3.45Å | ||
| 921 | P | 80.4 | Confident | 86.6 | Confident | 123 Ų | 123 | 51.2 Ų | 51.2 | 80% | 0.799 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -62.9 | -18.7 | 179.2 | 24.8 | -34.8 | 0 | 0 | 0 | 114 | ||
| 922 | L | 76.6 | Confident | 86.9 | Confident | 105 Ų | 105 | 53 Ų | 53 | 55% | 0.55 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -85.2 | 114.6 | 178.4 | -63.6 | 169.4 | 0 | 0 | 0 | 110.7 | D920 P924 V925 Q926 | D920-L922 PolarHBondContact O-N 2.98Å; D920-L922 VanDerWaalsContact O-N 3.16Å; D920-L922 VanDerWaalsContact OD1-CB 3.22Å; D920-L922 WeakPolarHBondContact OD1-CB 3.13Å; D920-L922 PolarHBondContact OD1-N 3.26Å; L922-P924 VanDerWaalsContact C-N 3.27Å; L922-P924 VanDerWaalsContact O-N 3.15Å; L922-V925 HydrophobicContact CB-CB 4.29Å; L922-V925 HydrophobicContact CB-CG2 3.82Å; L922-V925 HydrophobicContact CD1-CG2 4.18Å; L922-V925 WeakPolarHBondContact O-CB 3.09Å; L922-V925 PolarHBondContact O-N 3.19Å; L922-Q926 PolarHBondContact O-N 3.42Å |
| 923 | I | 82.8 | Confident | 87.3 | Confident | 56 Ų | 56 | 49 Ų | 49 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -47.2 | -41.8 | 173.3 | -64 | -172.3 | 0 | 0 | 0 | 113.2 | V925 Q926 G927 D963 Y965 I966 | I923-V925 VanDerWaalsContact C-N 3.29Å; I923-V925 PolarHBondContact O-N 3.48Å; I923-Q926 PolarHBondContact O-N 3.09Å; I923-G927 PolarHBondContact O-N 3.33Å; I923-D963 HydrophobicContact CD1-CB 4.01Å; I923-D963 VanDerWaalsContact CD1-OD2 3.3Å; I923-D963 WeakPolarHBondContact CD1-OD2 3.25Å; I923-D963 HydrophobicContact CG2-CB 4.29Å; I923-Y965 HydrophobicContact CG2-CD1 4.38Å; I923-I966 HydrophobicContact CG2-CD1 3.94Å; I923-I966 HydrophobicContact CG2-CG1 3.83Å |
| 924 | P | 79.2 | Confident | 87.4 | Confident | 87 Ų | 87 | 43.2 Ų | 43.2 | 57% | 0.565 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60.7 | -34 | 176.2 | -26.2 | 35.6 | 0 | 0 | 0 | 114.3 | L922 H928 | L922-P924 VanDerWaalsContact C-N 3.27Å; L922-P924 VanDerWaalsContact O-N 3.15Å; P924-H928 WeakPolarHBondContact O-CB 3.2Å; P924-H928 PolarHBondContact O-N 3.3Å |
| 925 | V | 86.7 | Confident | 87.4 | Confident | 39 Ų | 39 | 50 Ų | 50 | 24% | 0.236 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.8 | -45.6 | 179.5 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | E917 D920 L922 I923 G927 H928 A929 | E917-V925 HydrophobicContact CB-CG1 4.04Å; E917-V925 HydrophobicContact CG-CG1 4.28Å; D920-V925 HydrophobicContact CB-CB 3.77Å; D920-V925 HydrophobicContact CB-CG1 3.51Å; L922-V925 HydrophobicContact CB-CB 4.29Å; L922-V925 HydrophobicContact CB-CG2 3.82Å; L922-V925 HydrophobicContact CD1-CG2 4.18Å; L922-V925 WeakPolarHBondContact O-CB 3.09Å; L922-V925 PolarHBondContact O-N 3.19Å; I923-V925 VanDerWaalsContact C-N 3.29Å; I923-V925 PolarHBondContact O-N 3.48Å; V925-G927 VanDerWaalsContact C-N 3.32Å; V925-G927 PolarHBondContact O-N 2.64Å; V925-H928 WeakPolarHBondContact O-CB 3.49Å; V925-H928 PolarHBondContact O-N 3.07Å; V925-H928 VanDerWaalsContact O-N 3.13Å; V925-A929 PolarHBondContact O-N 3.34Å |
| 926 | Q | 87.8 | Confident | 87.5 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 12% | 0.121 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58 | -45.1 | 173.9 | -59.3 | -176.4 | -4.5 | 0 | 0 | 111.8 | L918 D920 L922 I923 H928 A929 L930 I966 | L918-Q926 WeakPolarHBondContact O-CG 3.23Å; D920-Q926 WeakPolarHBondContact O-CG 3.29Å; D920-Q926 PolarHBondContact O-NE2 3.45Å; L922-Q926 PolarHBondContact O-N 3.42Å; I923-Q926 PolarHBondContact O-N 3.09Å; Q926-H928 VanDerWaalsContact C-N 3.34Å; Q926-H928 PolarHBondContact O-N 3.28Å; Q926-A929 WeakPolarHBondContact O-CB 3.3Å; Q926-A929 PolarHBondContact O-N 2.93Å; Q926-L930 PolarHBondContact O-N 3.03Å; Q926-I966 HydrophobicContact CB-CD1 3.56Å |
| 927 | G | 85.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.7 | -34.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I923 V925 L930 I931 | I923-G927 PolarHBondContact O-N 3.33Å; V925-G927 VanDerWaalsContact C-N 3.32Å; V925-G927 PolarHBondContact O-N 2.64Å; G927-L930 PolarHBondContact O-N 3.14Å; G927-I931 VanDerWaalsContact O-CG1 3.31Å; G927-I931 WeakPolarHBondContact O-CG1 3.25Å; G927-I931 PolarHBondContact O-N 2.84Å |
| 928 | H | 89.9 | Confident | 87.7 | Confident | 89 Ų | 89 | 47.9 Ų | 47.9 | 41% | 0.412 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 170.9 | -176.7 | 35.9 | 0 | 0 | 0 | 111.5 | P924 V925 Q926 L930 I931 V932 | P924-H928 WeakPolarHBondContact O-CB 3.2Å; P924-H928 PolarHBondContact O-N 3.3Å; V925-H928 WeakPolarHBondContact O-CB 3.49Å; V925-H928 PolarHBondContact O-N 3.07Å; V925-H928 VanDerWaalsContact O-N 3.13Å; Q926-H928 VanDerWaalsContact C-N 3.34Å; Q926-H928 PolarHBondContact O-N 3.28Å; H928-L930 VanDerWaalsContact C-N 3.32Å; H928-L930 PolarHBondContact O-N 3.45Å; H928-I931 WeakPolarHBondContact O-CB 3.47Å; H928-I931 PolarHBondContact O-N 3.13Å; H928-V932 VanDerWaalsContact CE1-CG2 3.41Å; H928-V932 WeakPolarHBondContact CE1-CG2 3.37Å; H928-V932 WeakPolarHBondContact O-CG2 3.4Å; H928-V932 PolarHBondContact O-N 3.4Å |
| 929 | A | 92.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.8 | -43 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I914 E917 L918 V925 Q926 I931 V932 L933 | I914-A929 HydrophobicContact CG2-CB 4.21Å; E917-A929 HydrophobicContact CB-CB 3.73Å; L918-A929 HydrophobicContact CD2-CB 3.91Å; L918-A929 HydrophobicContact CG-CB 3.8Å; V925-A929 PolarHBondContact O-N 3.34Å; Q926-A929 WeakPolarHBondContact O-CB 3.3Å; Q926-A929 PolarHBondContact O-N 2.93Å; A929-I931 PolarHBondContact O-N 3.15Å; A929-V932 PolarHBondContact O-N 3.31Å; A929-L933 WeakPolarHBondContact O-CB 3.41Å; A929-L933 PolarHBondContact O-N 3.31Å |
| 930 | L | 93.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 172.9 | -69.8 | 171.9 | 0 | 0 | 0 | 112.4 | L918 Q926 G927 H928 V932 L933 S934 L955 Y958 I966 N969 A970 C973 | L918-L930 HydrophobicContact CD2-CD2 3.71Å; L918-L930 HydrophobicContact CD2-CG 3.67Å; Q926-L930 PolarHBondContact O-N 3.03Å; G927-L930 PolarHBondContact O-N 3.14Å; H928-L930 VanDerWaalsContact C-N 3.32Å; H928-L930 PolarHBondContact O-N 3.45Å; L930-V932 PolarHBondContact O-N 3.35Å; L930-L933 PolarHBondContact O-N 3.09Å; L930-S934 WeakPolarHBondContact O-CB 3.36Å; L930-S934 PolarHBondContact O-N 3.23Å; L930-L955 HydrophobicContact CD2-CD2 3.83Å; L930-Y958 HydrophobicContact CD2-CD2 4.45Å; L930-I966 HydrophobicContact CD1-CG2 3.93Å; L930-I966 WeakPolarHBondContact CD1-O 3.37Å; L930-N969 HydrophobicContact CB-CB 3.71Å; L930-N969 HydrophobicContact CD1-CB 4.02Å; L930-A970 HydrophobicContact CD1-CB 4.46Å; L930-C973 PolarHBondContact O-SG 2.97Å |
| 931 | I | 92 | Very high | 88 | Confident | 31 Ų | 31 | 55.5 Ų | 55.5 | 16% | 0.159 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 175.8 | -68.8 | 164 | 0 | 0 | 0 | 111.3 | G927 H928 A929 S934 R935 Y965 N969 | G927-I931 VanDerWaalsContact O-CG1 3.31Å; G927-I931 WeakPolarHBondContact O-CG1 3.25Å; G927-I931 PolarHBondContact O-N 2.84Å; H928-I931 WeakPolarHBondContact O-CB 3.47Å; H928-I931 PolarHBondContact O-N 3.13Å; A929-I931 PolarHBondContact O-N 3.15Å; I931-S934 PolarHBondContact O-N 3.04Å; I931-S934 PolarHBondContact O-OG 3.35Å; I931-R935 WeakPolarHBondContact O-CG 3.37Å; I931-R935 PolarHBondContact O-N 3.31Å; I931-Y965 WeakPolarHBondContact CD1-OH 3.34Å; I931-N969 VanDerWaalsContact CG1-OD1 3.32Å; I931-N969 WeakPolarHBondContact CG1-OD1 3.39Å |
| 932 | V | 92.3 | Very high | 88.2 | Confident | 37 Ų | 37 | 54.2 Ų | 54.2 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | 177.3 | 179.8 | 0 | 0 | 0 | 0 | 110 | I914 H928 A929 L930 S934 R935 L936 | I914-V932 HydrophobicContact CD1-CB 4.34Å; I914-V932 HydrophobicContact CD1-CG1 3.63Å; I914-V932 HydrophobicContact CG1-CB 4.5Å; I914-V932 HydrophobicContact CG1-CG1 4.06Å; H928-V932 VanDerWaalsContact CE1-CG2 3.41Å; H928-V932 WeakPolarHBondContact CE1-CG2 3.37Å; H928-V932 WeakPolarHBondContact O-CG2 3.4Å; H928-V932 PolarHBondContact O-N 3.4Å; A929-V932 PolarHBondContact O-N 3.31Å; L930-V932 PolarHBondContact O-N 3.35Å; V932-S934 VanDerWaalsContact C-N 3.32Å; V932-S934 PolarHBondContact O-N 3.47Å; V932-R935 WeakPolarHBondContact O-CB 3.46Å; V932-R935 PolarHBondContact O-N 2.84Å; V932-L936 WeakPolarHBondContact O-CG 3.43Å; V932-L936 PolarHBondContact O-N 3.29Å |
| 933 | L | 93.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 175.4 | -171.1 | 62.6 | 0 | 0 | 0 | 111.9 | I914 A929 L930 R935 L936 L937 I951 L955 | I914-L933 HydrophobicContact CG2-CB 4.11Å; I914-L933 HydrophobicContact CG2-CD1 4.43Å; A929-L933 WeakPolarHBondContact O-CB 3.41Å; A929-L933 PolarHBondContact O-N 3.31Å; L930-L933 PolarHBondContact O-N 3.09Å; L933-R935 VanDerWaalsContact C-N 3.32Å; L933-R935 PolarHBondContact O-N 3.03Å; L933-L936 PolarHBondContact O-N 3.5Å; L933-L937 HydrophobicContact CG-CD1 4.45Å; L933-L937 WeakPolarHBondContact O-CG 3.49Å; L933-L937 PolarHBondContact O-N 3.09Å; L933-I951 HydrophobicContact CD2-CG2 4.25Å; L933-L955 HydrophobicContact CD2-CD2 4.28Å |
| 934 | S | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -41 | 176.1 | 102.2 | 0 | 0 | 0 | 0 | 111.1 | L930 I931 V932 L937 E938 R972 C973 | L930-S934 WeakPolarHBondContact O-CB 3.36Å; L930-S934 PolarHBondContact O-N 3.23Å; I931-S934 PolarHBondContact O-N 3.04Å; I931-S934 PolarHBondContact O-OG 3.35Å; V932-S934 VanDerWaalsContact C-N 3.32Å; V932-S934 PolarHBondContact O-N 3.47Å; S934-L937 WeakPolarHBondContact O-CB 3.05Å; S934-L937 PolarHBondContact O-N 2.92Å; S934-E938 WeakPolarHBondContact O-CB 3.48Å; S934-E938 VanDerWaalsContact O-CG 3.23Å; S934-E938 WeakPolarHBondContact O-CG 3.47Å; S934-E938 PolarHBondContact O-N 2.89Å; S934-E938 PolarHBondContact OG-OE1 2.9Å; S934-R972 PolarHBondContact OG-NE 3.05Å; S934-C973 VanDerWaalsContact CA-SG 3.51Å; S934-C973 WeakPolarHBondContact CB-SG 3.42Å; S934-C973 PolarHBondContact N-SG 3.48Å |
| 935 | R | 91.8 | Very high | 88.9 | Confident | 150 Ų | 150 | 51.1 Ų | 51.1 | 57% | 0.566 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64 | -42.3 | 177.4 | -74.4 | 174.9 | 179.4 | 166.5 | 1 | 112.1 | I931 V932 L933 L937 E938 S939 | I931-R935 WeakPolarHBondContact O-CG 3.37Å; I931-R935 PolarHBondContact O-N 3.31Å; V932-R935 WeakPolarHBondContact O-CB 3.46Å; V932-R935 PolarHBondContact O-N 2.84Å; L933-R935 VanDerWaalsContact C-N 3.32Å; L933-R935 PolarHBondContact O-N 3.03Å; R935-L937 VanDerWaalsContact C-N 3.3Å; R935-L937 PolarHBondContact O-N 3.44Å; R935-E938 PolarHBondContact O-N 3.37Å; R935-S939 WeakPolarHBondContact O-CB 3.34Å; R935-S939 PolarHBondContact O-N 2.7Å; R935-S939 PolarHBondContact O-OG 2.83Å |
| 936 | L | 91.1 | Very high | 88.7 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 176.5 | -67.2 | 174.3 | 0 | 0 | 0 | 111.4 | I914 V932 L933 S939 R940 D941 I944 | I914-L936 HydrophobicContact CD1-CD1 3.32Å; V932-L936 WeakPolarHBondContact O-CG 3.43Å; V932-L936 PolarHBondContact O-N 3.29Å; L933-L936 PolarHBondContact O-N 3.5Å; L936-S939 WeakPolarHBondContact CA-OG 3.49Å; L936-S939 PolarHBondContact O-N 2.92Å; L936-S939 PolarHBondContact O-OG 3.49Å; L936-R940 PolarHBondContact O-N 3.32Å; L936-R940 VanDerWaalsContact O-N 3.09Å; L936-D941 HydrophobicContact CB-CB 4.26Å; L936-D941 HydrophobicContact CD2-CB 3.82Å; L936-D941 WeakPolarHBondContact CD2-OD2 3.01Å; L936-D941 PolarHBondContact O-N 3.25Å; L936-D941 VanDerWaalsContact O-N 3.09Å; L936-I944 HydrophobicContact CB-CD1 3.68Å; L936-I944 HydrophobicContact CB-CG1 4.26Å; L936-I944 WeakPolarHBondContact O-CD1 3.4Å |
| 937 | L | 91.2 | Very high | 88.6 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.6 | -48.7 | 174 | -74.3 | 164.1 | 0 | 0 | 0 | 110.8 | L933 S934 R935 S939 R940 I944 C973 A976 M977 I980 | L933-L937 HydrophobicContact CG-CD1 4.45Å; L933-L937 WeakPolarHBondContact O-CG 3.49Å; L933-L937 PolarHBondContact O-N 3.09Å; S934-L937 WeakPolarHBondContact O-CB 3.05Å; S934-L937 PolarHBondContact O-N 2.92Å; R935-L937 VanDerWaalsContact C-N 3.3Å; R935-L937 PolarHBondContact O-N 3.44Å; L937-S939 VanDerWaalsContact C-N 3.29Å; L937-S939 PolarHBondContact O-N 3.26Å; L937-R940 PolarHBondContact O-N 3.05Å; L937-R940 VanDerWaalsContact O-N 3.13Å; L937-I944 VanDerWaalsContact CA-CD1 3.47Å; L937-I944 HydrophobicContact CB-CD1 4.13Å; L937-I944 HydrophobicContact CD2-CD1 3.59Å; L937-I944 HydrophobicContact CD2-CG2 3.86Å; L937-I944 HydrophobicContact CG-CD1 3.62Å; L937-I944 VanDerWaalsContact N-CD1 3.25Å; L937-C973 HydrophobicContact CD1-CB 4.15Å; L937-C973 WeakPolarHBondContact CD1-O 3.33Å; L937-A976 HydrophobicContact CB-CB 3.7Å; L937-A976 HydrophobicContact CD1-CB 4.43Å; L937-M977 HydrophobicContact CD1-CB 4.2Å; L937-M977 HydrophobicContact CD2-CB 4.08Å; L937-M977 HydrophobicContact CD2-CG 4.07Å; L937-I980 HydrophobicContact CB-CD1 4.25Å; L937-I980 HydrophobicContact CD2-CD1 3.73Å; L937-I980 VanDerWaalsContact O-CD1 3.27Å; L937-I980 WeakPolarHBondContact O-CD1 3.45Å |
| 938 | E | 89.5 | Confident | 88.6 | Confident | 98 Ų | 98 | 54.2 Ų | 54.2 | 46% | 0.458 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.7 | -37.6 | 177.7 | -72.2 | 167.8 | -161.8 | 0 | 0 | 111.7 | S934 R935 R972 A976 | S934-E938 WeakPolarHBondContact O-CB 3.48Å; S934-E938 VanDerWaalsContact O-CG 3.23Å; S934-E938 WeakPolarHBondContact O-CG 3.47Å; S934-E938 PolarHBondContact O-N 2.89Å; S934-E938 PolarHBondContact OG-OE1 2.9Å; R935-E938 PolarHBondContact O-N 3.37Å; E938-R972 IonicContact OE1-CZ 2.84Å; E938-R972 IonicContact OE1-NE 3.95Å; E938-R972 PolarHBondContact OE1-NE 2.72Å; E938-R972 IonicContact OE1-NH2 2.83Å; E938-R972 PolarHBondContact OE1-NH2 2.89Å; E938-R972 IonicContact OE2-NH2 3.84Å; E938-R972 PolarHBondContact OE2-NH2 3.01Å; E938-A976 HydrophobicContact CG-CB 3.87Å |
| 939 | S | 88 | Confident | 88.3 | Confident | 75 Ų | 75 | 56.4 Ų | 56.4 | 52% | 0.524 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -3.4 | 178.3 | 66.6 | 0 | 0 | 0 | 0 | 114.8 | R935 L936 L937 D941 | R935-S939 WeakPolarHBondContact O-CB 3.34Å; R935-S939 PolarHBondContact O-N 2.7Å; R935-S939 PolarHBondContact O-OG 2.83Å; L936-S939 WeakPolarHBondContact CA-OG 3.49Å; L936-S939 PolarHBondContact O-N 2.92Å; L936-S939 PolarHBondContact O-OG 3.49Å; L937-S939 VanDerWaalsContact C-N 3.29Å; L937-S939 PolarHBondContact O-N 3.26Å; S939-D941 VanDerWaalsContact C-N 3.28Å; S939-D941 PolarHBondContact O-N 3.33Å |
| 940 | R | 86.5 | Confident | 88 | Confident | 165 Ų | 165 | 57.4 Ų | 57.4 | 62% | 0.623 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 44.4 | -175.8 | -57.7 | -176.3 | 177.1 | -169.5 | -3.4 | 113 | L936 L937 I980 | L936-R940 PolarHBondContact O-N 3.32Å; L936-R940 VanDerWaalsContact O-N 3.09Å; L937-R940 PolarHBondContact O-N 3.05Å; L937-R940 VanDerWaalsContact O-N 3.13Å; R940-I980 HydrophobicContact CG-CG1 4.4Å |
| 941 | D | 86.4 | Confident | 87.7 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 32% | 0.321 | 29% | 0.292 | S | S | . | . | trans | -61.9 | 145.7 | -177.3 | -154.2 | -53 | 0 | 0 | 0 | 111.8 | L936 S939 C943 I944 | L936-D941 HydrophobicContact CB-CB 4.26Å; L936-D941 HydrophobicContact CD2-CB 3.82Å; L936-D941 WeakPolarHBondContact CD2-OD2 3.01Å; L936-D941 PolarHBondContact O-N 3.25Å; L936-D941 VanDerWaalsContact O-N 3.09Å; S939-D941 VanDerWaalsContact C-N 3.28Å; S939-D941 PolarHBondContact O-N 3.33Å; D941-C943 PolarHBondContact O-N 3.13Å; D941-C943 PolarHBondContact OD1-SG 2.88Å; D941-I944 PolarHBondContact O-N 2.79Å | ||
| 942 | S | 84.7 | Confident | 87.5 | Confident | 97 Ų | 97 | 56.9 Ų | 56.9 | 68% | 0.678 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -62.7 | -27.8 | -175.7 | 47 | 0 | 0 | 0 | 0 | 113.2 | I944 W945 | S942-I944 PolarHBondContact O-N 3.36Å; S942-W945 PolarHBondContact O-N 2.83Å |
| 943 | C | 85.4 | Confident | 87.3 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -63 | -24.3 | -179.7 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | D908 L911 D941 H947 | D908-C943 HydrophobicContact CB-CB 4.06Å; D908-C943 VanDerWaalsContact CG-CB 3.45Å; D908-C943 WeakPolarHBondContact OD2-CB 3.46Å; L911-C943 HydrophobicContact CD1-CB 3.98Å; L911-C943 VanDerWaalsContact CD1-O 3.23Å; L911-C943 WeakPolarHBondContact CD1-O 3.43Å; D941-C943 PolarHBondContact O-N 3.13Å; D941-C943 PolarHBondContact OD1-SG 2.88Å; C943-H947 PolarHBondContact O-ND1 3.35Å |
| 944 | I | 85.2 | Confident | 87 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -75.4 | -32.9 | -177 | -61.6 | -164.3 | 0 | 0 | 0 | 112.4 | L911 L936 L937 D941 S942 G946 H947 I951 | L911-I944 HydrophobicContact CD1-CG1 4.33Å; L936-I944 HydrophobicContact CB-CD1 3.68Å; L936-I944 HydrophobicContact CB-CG1 4.26Å; L936-I944 WeakPolarHBondContact O-CD1 3.4Å; L937-I944 VanDerWaalsContact CA-CD1 3.47Å; L937-I944 HydrophobicContact CB-CD1 4.13Å; L937-I944 HydrophobicContact CD2-CD1 3.59Å; L937-I944 HydrophobicContact CD2-CG2 3.86Å; L937-I944 HydrophobicContact CG-CD1 3.62Å; L937-I944 VanDerWaalsContact N-CD1 3.25Å; D941-I944 PolarHBondContact O-N 2.79Å; S942-I944 PolarHBondContact O-N 3.36Å; I944-G946 PolarHBondContact O-N 2.76Å; I944-H947 PolarHBondContact O-N 2.83Å; I944-H947 VanDerWaalsContact O-N 3.11Å; I944-I951 HydrophobicContact CG2-CD1 3.98Å |
| 945 | W | 81.6 | Confident | 87 | Confident | 167 Ų | 167 | 61.8 Ų | 61.8 | 63% | 0.633 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 131.2 | -176.3 | -85.7 | 95.8 | 0 | 0 | 0 | 111.1 | S942 H947 E948 | S942-W945 PolarHBondContact O-N 2.83Å; W945-H947 VanDerWaalsContact C-N 3.34Å; W945-E948 WeakPolarHBondContact CA-OE1 3.23Å; W945-E948 VanDerWaalsContact CE3-OE1 3.26Å |
| 946 | G | 82.8 | Confident | 86.7 | Confident | 67 Ų | 67 | 55.2 Ų | 55.2 | 69% | 0.691 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | -17.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | I944 E948 | I944-G946 PolarHBondContact O-N 2.76Å; G946-E948 PolarHBondContact N-OE1 3.02Å |
| 947 | H | 85.9 | Confident | 86.4 | Confident | 31 Ų | 31 | 56.9 Ų | 56.9 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | trans | -105.9 | 9 | 180 | -57.3 | 96.5 | 0 | 0 | 0 | 113.3 | L906 C943 I944 W945 Q949 L950 I951 | L906-H947 HydrophobicContact CD2-CB 4.44Å; L906-H947 VanDerWaalsContact CD2-CD2 3.47Å; L906-H947 WeakPolarHBondContact CD2-CD2 3.4Å; C943-H947 PolarHBondContact O-ND1 3.35Å; I944-H947 PolarHBondContact O-N 2.83Å; I944-H947 VanDerWaalsContact O-N 3.11Å; W945-H947 VanDerWaalsContact C-N 3.34Å; H947-Q949 PolarHBondContact O-N 3.16Å; H947-L950 WeakPolarHBondContact O-CB 3.39Å; H947-L950 PolarHBondContact O-N 3.2Å; H947-I951 HydrophobicContact CB-CD1 4.2Å; H947-I951 WeakPolarHBondContact O-CG1 3.27Å; H947-I951 PolarHBondContact O-N 3.25Å | ||
| 948 | E | 84.8 | Confident | 86.3 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 15% | 0.15 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -44.8 | -167.7 | -53.6 | 123.1 | -162.3 | 0 | 0 | 112.9 | W945 G946 L950 I951 F952 M977 L981 | W945-E948 WeakPolarHBondContact CA-OE1 3.23Å; W945-E948 VanDerWaalsContact CE3-OE1 3.26Å; G946-E948 PolarHBondContact N-OE1 3.02Å; E948-L950 VanDerWaalsContact C-N 3.29Å; E948-L950 PolarHBondContact O-N 2.77Å; E948-I951 PolarHBondContact O-N 3.44Å; E948-F952 PolarHBondContact O-N 2.81Å; E948-M977 HydrophobicContact CB-CE 3.65Å; E948-M977 WeakPolarHBondContact O-CE 3.42Å; E948-L981 HydrophobicContact CB-CD1 3.74Å; E948-L981 HydrophobicContact CG-CD1 3.55Å |
| 949 | Q | 83.6 | Confident | 86.1 | Confident | 136 Ų | 136 | 52.9 Ų | 52.9 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60.3 | -42.4 | 178.6 | -106.7 | 173.4 | -25.2 | 0 | 0 | 111.9 | H947 F952 E953 | H947-Q949 PolarHBondContact O-N 3.16Å; Q949-F952 PolarHBondContact O-N 3.37Å; Q949-E953 PolarHBondContact O-N 3.16Å |
| 950 | L | 86.3 | Confident | 85.8 | Confident | 21 Ų | 21 | 51 Ų | 51 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.7 | -42.3 | -178.7 | -154.9 | 167.1 | 0 | 0 | 0 | 110.1 | A902 Q905 F915 H947 E948 E953 V954 | A902-L950 HydrophobicContact CB-CD2 3.63Å; A902-L950 HydrophobicContact CB-CG 4.39Å; Q905-L950 HydrophobicContact CB-CD1 4.1Å; F915-L950 HydrophobicContact CE1-CD2 3.58Å; F915-L950 HydrophobicContact CZ-CD2 3.97Å; H947-L950 WeakPolarHBondContact O-CB 3.39Å; H947-L950 PolarHBondContact O-N 3.2Å; E948-L950 VanDerWaalsContact C-N 3.29Å; E948-L950 PolarHBondContact O-N 2.77Å; L950-E953 PolarHBondContact O-N 3.44Å; L950-V954 HydrophobicContact CD2-CG2 4.25Å; L950-V954 WeakPolarHBondContact O-CG2 3.5Å; L950-V954 PolarHBondContact O-N 3.08Å; L950-V954 VanDerWaalsContact O-N 3.09Å |
| 951 | I | 89.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 172.1 | -67.6 | 166.5 | 0 | 0 | 0 | 110.9 | L911 F915 L933 I944 H947 E948 E953 V954 L955 M977 | L911-I951 HydrophobicContact CD2-CD1 4.42Å; F915-I951 HydrophobicContact CE2-CG1 4.4Å; F915-I951 HydrophobicContact CZ-CG1 4.21Å; L933-I951 HydrophobicContact CD2-CG2 4.25Å; I944-I951 HydrophobicContact CG2-CD1 3.98Å; H947-I951 HydrophobicContact CB-CD1 4.2Å; H947-I951 WeakPolarHBondContact O-CG1 3.27Å; H947-I951 PolarHBondContact O-N 3.25Å; E948-I951 PolarHBondContact O-N 3.44Å; I951-E953 PolarHBondContact O-N 2.91Å; I951-V954 PolarHBondContact O-N 3.47Å; I951-L955 HydrophobicContact CG2-CD1 3.67Å; I951-L955 HydrophobicContact CG2-CG 4.18Å; I951-L955 WeakPolarHBondContact O-CB 3.27Å; I951-L955 VanDerWaalsContact O-CG 3.23Å; I951-L955 WeakPolarHBondContact O-CG 3.34Å; I951-L955 PolarHBondContact O-N 2.76Å; I951-M977 HydrophobicContact CG2-SD 4.26Å |
| 952 | F | 87.5 | Confident | 85.4 | Confident | 18 Ų | 18 | 46.1 Ų | 46.1 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 179.3 | -178.7 | -93.7 | 0 | 0 | 0 | 112.6 | E948 Q949 V954 L955 T956 L974 M977 V985 L988 L989 | E948-F952 PolarHBondContact O-N 2.81Å; Q949-F952 PolarHBondContact O-N 3.37Å; F952-V954 VanDerWaalsContact C-N 3.32Å; F952-V954 PolarHBondContact O-N 2.98Å; F952-L955 PolarHBondContact O-N 3.36Å; F952-T956 HydrophobicContact CE1-CG2 4.03Å; F952-T956 HydrophobicContact CE2-CG2 4.45Å; F952-T956 HydrophobicContact CZ-CG2 3.91Å; F952-T956 PolarHBondContact O-N 3.42Å; F952-T956 PolarHBondContact O-OG1 3.47Å; F952-L974 HydrophobicContact CD2-CD2 3.72Å; F952-L974 HydrophobicContact CE2-CD2 3.69Å; F952-M977 HydrophobicContact CB-CE 3.98Å; F952-M977 HydrophobicContact CB-SD 3.99Å; F952-M977 HydrophobicContact CD2-SD 4.25Å; F952-V985 HydrophobicContact CD2-CG1 4.19Å; F952-V985 HydrophobicContact CD2-CG2 4.46Å; F952-V985 HydrophobicContact CE2-CG1 3.96Å; F952-L988 HydrophobicContact CD1-CD1 4.03Å; F952-L988 HydrophobicContact CE1-CB 3.79Å; F952-L988 HydrophobicContact CE1-CD1 3.92Å; F952-L988 HydrophobicContact CE1-CG 4.38Å; F952-L988 HydrophobicContact CE2-CB 4.15Å; F952-L988 HydrophobicContact CG-CD1 4.39Å; F952-L988 HydrophobicContact CZ-CB 3.48Å; F952-L988 VanDerWaalsContact CZ-CB 3.48Å; F952-L988 HydrophobicContact CZ-CD1 4.18Å; F952-L988 HydrophobicContact CZ-CG 4.45Å; F952-L989 HydrophobicContact CE2-CD2 4.01Å; F952-L989 HydrophobicContact CE2-CG 4.04Å; F952-L989 HydrophobicContact CZ-CD2 4.01Å; F952-L989 HydrophobicContact CZ-CG 4.2Å |
| 953 | E | 86.6 | Confident | 85.4 | Confident | 128 Ų | 128 | 44.2 Ų | 44.2 | 60% | 0.598 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60.8 | -41.7 | 177.3 | -78.2 | -177.2 | 170.5 | 0 | 0 | 111.9 | Q949 L950 I951 T956 K957 | Q949-E953 PolarHBondContact O-N 3.16Å; L950-E953 PolarHBondContact O-N 3.44Å; I951-E953 PolarHBondContact O-N 2.91Å; E953-T956 WeakPolarHBondContact CA-OG1 3.16Å; E953-T956 PolarHBondContact O-OG1 2.84Å; E953-T956 VanDerWaalsContact O-OG1 3.13Å; E953-K957 PolarHBondContact O-N 3.23Å; E953-K957 VanDerWaalsContact O-N 3.08Å |
| 954 | V | 88.6 | Confident | 85.3 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 7% | 0.073 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.6 | -45.7 | 177.4 | 170 | 0 | 0 | 0 | 0 | 111.2 | F915 L918 L950 I951 F952 T956 K957 Y958 | F915-V954 HydrophobicContact CE1-CG2 3.85Å; F915-V954 HydrophobicContact CZ-CG2 4.38Å; L918-V954 HydrophobicContact CD1-CG1 4.26Å; L950-V954 HydrophobicContact CD2-CG2 4.25Å; L950-V954 WeakPolarHBondContact O-CG2 3.5Å; L950-V954 PolarHBondContact O-N 3.08Å; L950-V954 VanDerWaalsContact O-N 3.09Å; I951-V954 PolarHBondContact O-N 3.47Å; F952-V954 VanDerWaalsContact C-N 3.32Å; F952-V954 PolarHBondContact O-N 2.98Å; V954-T956 PolarHBondContact O-N 2.85Å; V954-K957 WeakPolarHBondContact O-CA 3.26Å; V954-K957 VanDerWaalsContact O-CB 3.31Å; V954-K957 WeakPolarHBondContact O-CB 3.36Å; V954-K957 PolarHBondContact O-N 2.89Å; V954-K957 VanDerWaalsContact O-N 3.1Å; V954-Y958 HydrophobicContact CG1-CD2 3.66Å; V954-Y958 HydrophobicContact CG1-CE2 3.56Å; V954-Y958 VanDerWaalsContact O-CD2 3.26Å; V954-Y958 WeakPolarHBondContact O-CD2 3.1Å; V954-Y958 PolarHBondContact O-N 3.03Å |
| 955 | L | 89.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 179.5 | -70 | 172.6 | 0 | 0 | 0 | 112.7 | L930 L933 I951 F952 K957 Y958 L959 C973 L974 M977 | L930-L955 HydrophobicContact CD2-CD2 3.83Å; L933-L955 HydrophobicContact CD2-CD2 4.28Å; I951-L955 HydrophobicContact CG2-CD1 3.67Å; I951-L955 HydrophobicContact CG2-CG 4.18Å; I951-L955 WeakPolarHBondContact O-CB 3.27Å; I951-L955 VanDerWaalsContact O-CG 3.23Å; I951-L955 WeakPolarHBondContact O-CG 3.34Å; I951-L955 PolarHBondContact O-N 2.76Å; F952-L955 PolarHBondContact O-N 3.36Å; L955-K957 VanDerWaalsContact C-N 3.27Å; L955-K957 PolarHBondContact O-N 3.42Å; L955-Y958 PolarHBondContact O-N 3.02Å; L955-L959 PolarHBondContact O-N 2.94Å; L955-C973 HydrophobicContact CD1-CB 3.61Å; L955-C973 HydrophobicContact CD2-CB 3.28Å; L955-C973 HydrophobicContact CG-CB 4.07Å; L955-L974 HydrophobicContact CB-CD1 4.47Å; L955-L974 HydrophobicContact CB-CD2 4.05Å; L955-L974 HydrophobicContact CB-CG 3.94Å; L955-L974 HydrophobicContact CD1-CD2 4.31Å; L955-L974 HydrophobicContact CD1-CG 4.27Å; L955-M977 HydrophobicContact CD1-SD 4.46Å |
| 956 | T | 85.8 | Confident | 85.6 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67 | -28.6 | 173.9 | 33.1 | 0 | 0 | 0 | 0 | 112.4 | F952 E953 V954 L959 L989 Y1022 | F952-T956 HydrophobicContact CE1-CG2 4.03Å; F952-T956 HydrophobicContact CE2-CG2 4.45Å; F952-T956 HydrophobicContact CZ-CG2 3.91Å; F952-T956 PolarHBondContact O-N 3.42Å; F952-T956 PolarHBondContact O-OG1 3.47Å; E953-T956 WeakPolarHBondContact CA-OG1 3.16Å; E953-T956 PolarHBondContact O-OG1 2.84Å; E953-T956 VanDerWaalsContact O-OG1 3.13Å; V954-T956 PolarHBondContact O-N 2.85Å; T956-L959 HydrophobicContact CG2-CD1 4.28Å; T956-L959 WeakPolarHBondContact O-CB 3.32Å; T956-L989 HydrophobicContact CG2-CD2 4.35Å; T956-Y1022 PolarHBondContact O-OH 3.47Å |
| 957 | K | 86 | Confident | 85.9 | Confident | 57 Ų | 57 | 42.3 Ų | 42.3 | 25% | 0.248 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.7 | -39.8 | 168.8 | -123.1 | -175.6 | 178.1 | -168.1 | 0 | 112.6 | L895 Q899 E953 V954 L955 L959 S960 | L895-K957 HydrophobicContact CD2-CD 3.73Å; L895-K957 HydrophobicContact CD2-CG 3.99Å; L895-K957 PolarHBondContact O-NZ 3.1Å; Q899-K957 VanDerWaalsContact CD-NZ 3.34Å; Q899-K957 HydrophobicContact CG-CD 4.33Å; E953-K957 PolarHBondContact O-N 3.23Å; E953-K957 VanDerWaalsContact O-N 3.08Å; V954-K957 WeakPolarHBondContact O-CA 3.26Å; V954-K957 VanDerWaalsContact O-CB 3.31Å; V954-K957 WeakPolarHBondContact O-CB 3.36Å; V954-K957 PolarHBondContact O-N 2.89Å; V954-K957 VanDerWaalsContact O-N 3.1Å; L955-K957 VanDerWaalsContact C-N 3.27Å; L955-K957 PolarHBondContact O-N 3.42Å; K957-L959 VanDerWaalsContact C-N 3.29Å; K957-L959 PolarHBondContact O-N 3.19Å; K957-S960 PolarHBondContact O-N 3.43Å; K957-S960 PolarHBondContact O-OG 2.91Å |
| 958 | Y | 88.6 | Confident | 85.9 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.3 | -18.9 | 177.8 | -80.8 | -72.2 | 0 | 0 | 0 | 113.9 | L918 L930 V954 L955 S960 H961 I966 | L918-Y958 HydrophobicContact CB-CE2 4.43Å; L918-Y958 HydrophobicContact CD1-CE2 4.34Å; L918-Y958 HydrophobicContact CD2-CD2 4.5Å; L918-Y958 HydrophobicContact CD2-CE2 3.87Å; L918-Y958 HydrophobicContact CG-CE2 4.45Å; L918-Y958 PolarHBondContact O-OH 3.5Å; L930-Y958 HydrophobicContact CD2-CD2 4.45Å; V954-Y958 HydrophobicContact CG1-CD2 3.66Å; V954-Y958 HydrophobicContact CG1-CE2 3.56Å; V954-Y958 VanDerWaalsContact O-CD2 3.26Å; V954-Y958 WeakPolarHBondContact O-CD2 3.1Å; V954-Y958 PolarHBondContact O-N 3.03Å; L955-Y958 PolarHBondContact O-N 3.02Å; Y958-S960 PolarHBondContact O-N 3.09Å; Y958-H961 VanDerWaalsContact O-CB 3.25Å; Y958-H961 WeakPolarHBondContact O-CB 3.48Å; Y958-H961 PolarHBondContact O-N 2.72Å; Y958-H961 VanDerWaalsContact O-N 3.13Å; Y958-I966 HydrophobicContact CD1-CG2 3.43Å; Y958-I966 VanDerWaalsContact CD1-CG2 3.43Å; Y958-I966 HydrophobicContact CE1-CG2 4.2Å; Y958-I966 HydrophobicContact CG-CG2 4.24Å |
| 959 | L | 84.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -30.6 | 168.5 | -97.9 | 170.2 | 0 | 0 | 0 | 112.3 | L955 T956 K957 H961 I971 L974 Y1022 K1025 L1026 | L955-L959 PolarHBondContact O-N 2.94Å; T956-L959 HydrophobicContact CG2-CD1 4.28Å; T956-L959 WeakPolarHBondContact O-CB 3.32Å; K957-L959 VanDerWaalsContact C-N 3.29Å; K957-L959 PolarHBondContact O-N 3.19Å; L959-H961 PolarHBondContact O-N 2.78Å; L959-I971 HydrophobicContact CD2-CD1 4.12Å; L959-I971 HydrophobicContact CD2-CG1 3.6Å; L959-L974 HydrophobicContact CD1-CD1 3.32Å; L959-L974 HydrophobicContact CG-CD1 3.94Å; L959-Y1022 HydrophobicContact CB-CD2 4.17Å; L959-Y1022 HydrophobicContact CB-CE2 3.65Å; L959-K1025 HydrophobicContact CD2-CB 3.48Å; L959-K1025 VanDerWaalsContact CD2-CB 3.48Å; L959-K1025 WeakPolarHBondContact O-CD 3.34Å; L959-L1026 HydrophobicContact CD1-CD1 3.86Å |
| 960 | S | 82.5 | Confident | 86.6 | Confident | 35 Ų | 35 | 37.6 Ų | 37.6 | 25% | 0.245 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 9.7 | 177.7 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | K957 Y958 Y1018 | K957-S960 PolarHBondContact O-N 3.43Å; K957-S960 PolarHBondContact O-OG 2.91Å; Y958-S960 PolarHBondContact O-N 3.09Å; S960-Y1018 WeakPolarHBondContact O-CE1 3.26Å; S960-Y1018 PolarHBondContact O-OH 3.41Å |
| 961 | H | 84.8 | Confident | 86.8 | Confident | 33 Ų | 33 | 36.7 Ų | 36.7 | 15% | 0.153 | 19% | 0.187 | C | C | . | . | trans | -74.6 | 143.2 | 176 | -158.5 | -84.2 | 0 | 0 | 0 | 111.7 | Y958 L959 D963 I966 Y967 K1025 | Y958-H961 VanDerWaalsContact O-CB 3.25Å; Y958-H961 WeakPolarHBondContact O-CB 3.48Å; Y958-H961 PolarHBondContact O-N 2.72Å; Y958-H961 VanDerWaalsContact O-N 3.13Å; L959-H961 PolarHBondContact O-N 2.78Å; H961-D963 WeakPolarHBondContact ND1-CB 3.45Å; H961-D963 PolarHBondContact ND1-N 3.48Å; H961-I966 HydrophobicContact CB-CB 4.05Å; H961-I966 HydrophobicContact CB-CG2 3.62Å; H961-Y967 WeakPolarHBondContact O-CD1 2.9Å; H961-K1025 PolarHBondContact O-NZ 3.44Å | ||
| 962 | T | 80.1 | Confident | 86.9 | Confident | 90 Ų | 90 | 42.4 Ų | 42.4 | 55% | 0.552 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -73.3 | -36 | -179.8 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | S964 Y1018 | T962-S964 PolarHBondContact O-N 3.4Å; T962-Y1018 HydrophobicContact CG2-CE2 3.66Å |
| 963 | D | 84.2 | Confident | 87.2 | Confident | 56 Ų | 56 | 41.5 Ų | 41.5 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -74.1 | 123.9 | 179.8 | -158.7 | -46.4 | 0 | 0 | 0 | 112.9 | I923 H961 Y965 I966 Y967 | I923-D963 HydrophobicContact CD1-CB 4.01Å; I923-D963 VanDerWaalsContact CD1-OD2 3.3Å; I923-D963 WeakPolarHBondContact CD1-OD2 3.25Å; I923-D963 HydrophobicContact CG2-CB 4.29Å; H961-D963 WeakPolarHBondContact ND1-CB 3.45Å; H961-D963 PolarHBondContact ND1-N 3.48Å; D963-Y965 VanDerWaalsContact C-N 3.25Å; D963-Y965 PolarHBondContact O-N 2.86Å; D963-Y965 WeakPolarHBondContact OD1-CB 3.2Å; D963-Y965 PolarHBondContact OD1-N 3.36Å; D963-I966 HydrophobicContact CB-CG1 4.26Å; D963-I966 PolarHBondContact O-N 3.2Å; D963-Y967 VanDerWaalsContact O-CD1 3.3Å; D963-Y967 WeakPolarHBondContact O-CD1 3.34Å; D963-Y967 PolarHBondContact O-N 3.31Å |
| 964 | S | 82.9 | Confident | 87.4 | Confident | 59 Ų | 59 | 35.4 Ų | 35.4 | 41% | 0.413 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -56.7 | -31.9 | 176.1 | 68.6 | 0 | 0 | 0 | 0 | 115.1 | T962 I966 L968 | T962-S964 PolarHBondContact O-N 3.4Å; S964-I966 PolarHBondContact O-N 2.87Å; S964-L968 WeakPolarHBondContact O-CB 3.34Å; S964-L968 WeakPolarHBondContact O-CD1 3.38Å; S964-L968 VanDerWaalsContact O-CG 3.23Å; S964-L968 WeakPolarHBondContact O-CG 3.43Å; S964-L968 PolarHBondContact O-N 3.05Å; S964-L968 VanDerWaalsContact O-N 3.12Å |
| 965 | Y | 83.8 | Confident | 87.5 | Confident | 102 Ų | 102 | 35 Ų | 35 | 40% | 0.4 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.8 | -31 | 176.8 | -171.1 | -115.4 | 0 | 0 | 0 | 111.7 | I923 I931 D963 N969 | I923-Y965 HydrophobicContact CG2-CD1 4.38Å; I931-Y965 WeakPolarHBondContact CD1-OH 3.34Å; D963-Y965 VanDerWaalsContact C-N 3.25Å; D963-Y965 PolarHBondContact O-N 2.86Å; D963-Y965 WeakPolarHBondContact OD1-CB 3.2Å; D963-Y965 PolarHBondContact OD1-N 3.36Å; Y965-N969 PolarHBondContact O-ND2 3.02Å |
| 966 | I | 90 | Very high | 87.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -82.2 | -57.7 | 179.8 | -60.4 | -65.9 | 0 | 0 | 0 | 110.5 | I923 Q926 L930 Y958 H961 D963 S964 L968 N969 A970 | I923-I966 HydrophobicContact CG2-CD1 3.94Å; I923-I966 HydrophobicContact CG2-CG1 3.83Å; Q926-I966 HydrophobicContact CB-CD1 3.56Å; L930-I966 HydrophobicContact CD1-CG2 3.93Å; L930-I966 WeakPolarHBondContact CD1-O 3.37Å; Y958-I966 HydrophobicContact CD1-CG2 3.43Å; Y958-I966 VanDerWaalsContact CD1-CG2 3.43Å; Y958-I966 HydrophobicContact CE1-CG2 4.2Å; Y958-I966 HydrophobicContact CG-CG2 4.24Å; H961-I966 HydrophobicContact CB-CB 4.05Å; H961-I966 HydrophobicContact CB-CG2 3.62Å; D963-I966 HydrophobicContact CB-CG1 4.26Å; D963-I966 PolarHBondContact O-N 3.2Å; S964-I966 PolarHBondContact O-N 2.87Å; I966-L968 VanDerWaalsContact C-N 3.33Å; I966-L968 PolarHBondContact O-N 2.83Å; I966-N969 PolarHBondContact O-N 2.62Å; I966-N969 VanDerWaalsContact O-N 3.15Å; I966-A970 PolarHBondContact O-N 2.63Å |
| 967 | Y | 89.1 | Confident | 87.7 | Confident | 49 Ų | 49 | 35.1 Ų | 35.1 | 19% | 0.192 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.4 | -30 | -171.9 | 76.5 | -109.7 | 0 | 0 | 0 | 112.7 | H961 D963 A970 I971 K1025 | H961-Y967 WeakPolarHBondContact O-CD1 2.9Å; D963-Y967 VanDerWaalsContact O-CD1 3.3Å; D963-Y967 WeakPolarHBondContact O-CD1 3.34Å; D963-Y967 PolarHBondContact O-N 3.31Å; Y967-A970 PolarHBondContact O-N 3.37Å; Y967-I971 HydrophobicContact CD2-CD1 4.08Å; Y967-I971 WeakPolarHBondContact O-CG1 3.18Å; Y967-I971 PolarHBondContact O-N 3.31Å; Y967-K1025 HydrophobicContact CD1-CD 4.13Å; Y967-K1025 HydrophobicContact CD2-CD 3.82Å; Y967-K1025 HydrophobicContact CD2-CG 3.97Å; Y967-K1025 VanDerWaalsContact CE1-CE 3.44Å; Y967-K1025 HydrophobicContact CE2-CD 4.31Å; Y967-K1025 HydrophobicContact CE2-CG 4.2Å; Y967-K1025 HydrophobicContact CG-CD 3.78Å; Y967-K1025 HydrophobicContact CG-CG 4.44Å |
| 968 | L | 86.1 | Confident | 87.8 | Confident | 78 Ų | 78 | 32.4 Ų | 32.4 | 41% | 0.408 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -67.4 | -37.1 | 174.7 | -71.4 | 173.3 | 0 | 0 | 0 | 112 | S964 I966 I971 R972 | S964-L968 WeakPolarHBondContact O-CB 3.34Å; S964-L968 WeakPolarHBondContact O-CD1 3.38Å; S964-L968 VanDerWaalsContact O-CG 3.23Å; S964-L968 WeakPolarHBondContact O-CG 3.43Å; S964-L968 PolarHBondContact O-N 3.05Å; S964-L968 VanDerWaalsContact O-N 3.12Å; I966-L968 VanDerWaalsContact C-N 3.33Å; I966-L968 PolarHBondContact O-N 2.83Å; L968-I971 PolarHBondContact O-N 2.91Å; L968-R972 PolarHBondContact O-N 2.85Å |
| 969 | N | 90.1 | Very high | 87.6 | Confident | 21 Ų | 21 | 33.7 Ų | 33.7 | 11% | 0.112 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.8 | -33.9 | 174 | -77.3 | -51.9 | 0 | 0 | 0 | 111.5 | L930 I931 Y965 I966 R972 C973 | L930-N969 HydrophobicContact CB-CB 3.71Å; L930-N969 HydrophobicContact CD1-CB 4.02Å; I931-N969 VanDerWaalsContact CG1-OD1 3.32Å; I931-N969 WeakPolarHBondContact CG1-OD1 3.39Å; Y965-N969 PolarHBondContact O-ND2 3.02Å; I966-N969 PolarHBondContact O-N 2.62Å; I966-N969 VanDerWaalsContact O-N 3.15Å; N969-R972 WeakPolarHBondContact O-CB 3.28Å; N969-R972 PolarHBondContact O-N 3.41Å; N969-C973 PolarHBondContact O-N 3.08Å |
| 970 | A | 93 | Very high | 87.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L930 I966 Y967 R972 C973 L974 | L930-A970 HydrophobicContact CD1-CB 4.46Å; I966-A970 PolarHBondContact O-N 2.63Å; Y967-A970 PolarHBondContact O-N 3.37Å; A970-R972 VanDerWaalsContact C-N 3.31Å; A970-R972 PolarHBondContact O-N 3.13Å; A970-C973 WeakPolarHBondContact O-CB 3.02Å; A970-C973 PolarHBondContact O-N 2.74Å; A970-L974 PolarHBondContact O-N 3.41Å |
| 971 | I | 90 | Very high | 87.7 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -42.9 | 173 | -70.9 | 167.9 | 0 | 0 | 0 | 110.8 | L959 Y967 L968 L974 S975 K1025 E1028 R1032 | L959-I971 HydrophobicContact CD2-CD1 4.12Å; L959-I971 HydrophobicContact CD2-CG1 3.6Å; Y967-I971 HydrophobicContact CD2-CD1 4.08Å; Y967-I971 WeakPolarHBondContact O-CG1 3.18Å; Y967-I971 PolarHBondContact O-N 3.31Å; L968-I971 PolarHBondContact O-N 2.91Å; I971-L974 PolarHBondContact O-N 2.97Å; I971-S975 WeakPolarHBondContact O-CB 3.27Å; I971-S975 PolarHBondContact O-N 3.2Å; I971-K1025 HydrophobicContact CD1-CB 4.41Å; I971-E1028 HydrophobicContact CD1-CB 4.48Å; I971-E1028 HydrophobicContact CD1-CG 4.11Å; I971-E1028 HydrophobicContact CG2-CG 4.49Å; I971-R1032 HydrophobicContact CG2-CB 4.2Å; I971-R1032 HydrophobicContact CG2-CG 4.32Å |
| 972 | R | 91.3 | Very high | 87.7 | Confident | 121 Ų | 121 | 35.6 Ų | 35.6 | 46% | 0.457 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 176.5 | -175.2 | -178.8 | 175.8 | 153.4 | -0.1 | 111.8 | S934 E938 L968 N969 A970 S975 A976 | S934-R972 PolarHBondContact OG-NE 3.05Å; E938-R972 IonicContact OE1-CZ 2.84Å; E938-R972 IonicContact OE1-NE 3.95Å; E938-R972 PolarHBondContact OE1-NE 2.72Å; E938-R972 IonicContact OE1-NH2 2.83Å; E938-R972 PolarHBondContact OE1-NH2 2.89Å; E938-R972 IonicContact OE2-NH2 3.84Å; E938-R972 PolarHBondContact OE2-NH2 3.01Å; L968-R972 PolarHBondContact O-N 2.85Å; N969-R972 WeakPolarHBondContact O-CB 3.28Å; N969-R972 PolarHBondContact O-N 3.41Å; A970-R972 VanDerWaalsContact C-N 3.31Å; A970-R972 PolarHBondContact O-N 3.13Å; R972-S975 WeakPolarHBondContact O-CB 3.37Å; R972-S975 PolarHBondContact O-N 3.35Å; R972-A976 PolarHBondContact O-N 3.36Å |
| 973 | C | 92.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.2 | -45.6 | 174.1 | -85.1 | 0 | 0 | 0 | 0 | 112.2 | L930 S934 L937 L955 N969 A970 S975 A976 M977 | L930-C973 PolarHBondContact O-SG 2.97Å; S934-C973 VanDerWaalsContact CA-SG 3.51Å; S934-C973 WeakPolarHBondContact CB-SG 3.42Å; S934-C973 PolarHBondContact N-SG 3.48Å; L937-C973 HydrophobicContact CD1-CB 4.15Å; L937-C973 WeakPolarHBondContact CD1-O 3.33Å; L955-C973 HydrophobicContact CD1-CB 3.61Å; L955-C973 HydrophobicContact CD2-CB 3.28Å; L955-C973 HydrophobicContact CG-CB 4.07Å; N969-C973 PolarHBondContact O-N 3.08Å; A970-C973 WeakPolarHBondContact O-CB 3.02Å; A970-C973 PolarHBondContact O-N 2.74Å; C973-S975 VanDerWaalsContact C-N 3.28Å; C973-S975 PolarHBondContact O-N 3.09Å; C973-A976 PolarHBondContact O-N 3.31Å; C973-M977 WeakPolarHBondContact O-CB 3.41Å; C973-M977 PolarHBondContact O-N 3.41Å |
| 974 | L | 91.3 | Very high | 88 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -40.8 | 176.3 | -81.2 | 166 | 0 | 0 | 0 | 111.7 | F952 L955 L959 A970 I971 M977 G978 L989 | F952-L974 HydrophobicContact CD2-CD2 3.72Å; F952-L974 HydrophobicContact CE2-CD2 3.69Å; L955-L974 HydrophobicContact CB-CD1 4.47Å; L955-L974 HydrophobicContact CB-CD2 4.05Å; L955-L974 HydrophobicContact CB-CG 3.94Å; L955-L974 HydrophobicContact CD1-CD2 4.31Å; L955-L974 HydrophobicContact CD1-CG 4.27Å; L959-L974 HydrophobicContact CD1-CD1 3.32Å; L959-L974 HydrophobicContact CG-CD1 3.94Å; A970-L974 PolarHBondContact O-N 3.41Å; I971-L974 PolarHBondContact O-N 2.97Å; L974-M977 PolarHBondContact O-N 3.32Å; L974-G978 PolarHBondContact O-N 3.48Å; L974-L989 HydrophobicContact CD1-CD2 4.36Å; L974-L989 HydrophobicContact CD2-CD2 4.33Å |
| 975 | S | 90.6 | Very high | 88.2 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.028 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.1 | -49.1 | 174.1 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | I971 R972 C973 M977 G978 C979 R1032 N1036 | I971-S975 WeakPolarHBondContact O-CB 3.27Å; I971-S975 PolarHBondContact O-N 3.2Å; R972-S975 WeakPolarHBondContact O-CB 3.37Å; R972-S975 PolarHBondContact O-N 3.35Å; C973-S975 VanDerWaalsContact C-N 3.28Å; C973-S975 PolarHBondContact O-N 3.09Å; S975-M977 VanDerWaalsContact C-N 3.34Å; S975-M977 PolarHBondContact O-N 2.98Å; S975-G978 PolarHBondContact O-N 3.3Å; S975-C979 PolarHBondContact O-N 3.29Å; S975-C979 VanDerWaalsContact O-N 3.17Å; S975-C979 PolarHBondContact O-SG 3.19Å; S975-C979 VanDerWaalsContact O-SG 3.41Å; S975-R1032 PolarHBondContact OG-O 3.32Å; S975-N1036 PolarHBondContact OG-ND2 3.32Å |
| 976 | A | 90.8 | Very high | 88.6 | Confident | 7 Ų | 7 | 30 Ų | 30 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L937 E938 R972 C973 G978 C979 | L937-A976 HydrophobicContact CB-CB 3.7Å; L937-A976 HydrophobicContact CD1-CB 4.43Å; E938-A976 HydrophobicContact CG-CB 3.87Å; R972-A976 PolarHBondContact O-N 3.36Å; C973-A976 PolarHBondContact O-N 3.31Å; A976-G978 VanDerWaalsContact C-N 3.33Å; A976-G978 PolarHBondContact O-N 2.75Å; A976-C979 WeakPolarHBondContact O-CB 3.3Å; A976-C979 PolarHBondContact O-N 2.93Å |
| 977 | M | 90.5 | Very high | 88.5 | Confident | 7 Ų | 7 | 32.4 Ų | 32.4 | 3% | 0.034 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.1 | -38.8 | 176 | -162.8 | -175.8 | 174.8 | 0 | 0 | 111.8 | L937 E948 I951 F952 L955 C973 L974 S975 C979 I980 L981 V985 | L937-M977 HydrophobicContact CD1-CB 4.2Å; L937-M977 HydrophobicContact CD2-CB 4.08Å; L937-M977 HydrophobicContact CD2-CG 4.07Å; E948-M977 HydrophobicContact CB-CE 3.65Å; E948-M977 WeakPolarHBondContact O-CE 3.42Å; I951-M977 HydrophobicContact CG2-SD 4.26Å; F952-M977 HydrophobicContact CB-CE 3.98Å; F952-M977 HydrophobicContact CB-SD 3.99Å; F952-M977 HydrophobicContact CD2-SD 4.25Å; L955-M977 HydrophobicContact CD1-SD 4.46Å; C973-M977 WeakPolarHBondContact O-CB 3.41Å; C973-M977 PolarHBondContact O-N 3.41Å; L974-M977 PolarHBondContact O-N 3.32Å; S975-M977 VanDerWaalsContact C-N 3.34Å; S975-M977 PolarHBondContact O-N 2.98Å; M977-C979 PolarHBondContact O-N 3.2Å; M977-I980 PolarHBondContact O-N 3.5Å; M977-L981 HydrophobicContact CE-CD1 4.31Å; M977-L981 PolarHBondContact O-N 3.22Å; M977-V985 HydrophobicContact CB-CG2 4.48Å; M977-V985 HydrophobicContact CE-CG2 4.07Å; M977-V985 HydrophobicContact CG-CG2 3.89Å; M977-V985 HydrophobicContact SD-CG2 4.08Å |
| 978 | G | 86.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.5 | -25.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | L974 S975 A976 I980 T982 | L974-G978 PolarHBondContact O-N 3.48Å; S975-G978 PolarHBondContact O-N 3.3Å; A976-G978 VanDerWaalsContact C-N 3.33Å; A976-G978 PolarHBondContact O-N 2.75Å; G978-I980 VanDerWaalsContact C-N 3.33Å; G978-T982 WeakPolarHBondContact O-CA 3.49Å; G978-T982 VanDerWaalsContact O-CB 3.3Å; G978-T982 WeakPolarHBondContact O-CB 3.47Å; G978-T982 PolarHBondContact O-N 3.16Å; G978-T982 PolarHBondContact O-OG1 3.43Å |
| 979 | C | 85.3 | Confident | 88.7 | Confident | 44 Ų | 44 | 30 Ų | 30 | 30% | 0.297 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -15.7 | 172.2 | -63.4 | 0 | 0 | 0 | 0 | 114 | S975 A976 M977 N1036 | S975-C979 PolarHBondContact O-N 3.29Å; S975-C979 VanDerWaalsContact O-N 3.17Å; S975-C979 PolarHBondContact O-SG 3.19Å; S975-C979 VanDerWaalsContact O-SG 3.41Å; A976-C979 WeakPolarHBondContact O-CB 3.3Å; A976-C979 PolarHBondContact O-N 2.93Å; M977-C979 PolarHBondContact O-N 3.2Å; C979-N1036 WeakPolarHBondContact SG-CB 3.43Å |
| 980 | I | 83.9 | Confident | 88.8 | Confident | 44 Ų | 44 | 29.2 Ų | 29.2 | 23% | 0.226 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -47.1 | 177.7 | -49.5 | 172 | 0 | 0 | 0 | 110.3 | L937 R940 M977 G978 | L937-I980 HydrophobicContact CB-CD1 4.25Å; L937-I980 HydrophobicContact CD2-CD1 3.73Å; L937-I980 VanDerWaalsContact O-CD1 3.27Å; L937-I980 WeakPolarHBondContact O-CD1 3.45Å; R940-I980 HydrophobicContact CG-CG1 4.4Å; M977-I980 PolarHBondContact O-N 3.5Å; G978-I980 VanDerWaalsContact C-N 3.33Å |
| 981 | L | 85 | Confident | 88.6 | Confident | 40 Ų | 40 | 34.3 Ų | 34.3 | 21% | 0.209 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -126.2 | 53.3 | -171 | -68.3 | 166.4 | 0 | 0 | 0 | 111.2 | E948 M977 D983 K984 V985 | E948-L981 HydrophobicContact CB-CD1 3.74Å; E948-L981 HydrophobicContact CG-CD1 3.55Å; M977-L981 HydrophobicContact CE-CD1 4.31Å; M977-L981 PolarHBondContact O-N 3.22Å; L981-D983 PolarHBondContact O-N 3.23Å; L981-K984 HydrophobicContact CB-CB 4.48Å; L981-K984 PolarHBondContact O-N 2.98Å; L981-K984 VanDerWaalsContact O-N 3.1Å; L981-V985 HydrophobicContact CB-CG2 4.08Å; L981-V985 WeakPolarHBondContact O-CG2 3.26Å; L981-V985 PolarHBondContact O-N 3.35Å |
| 982 | T | 85 | Confident | 88.5 | Confident | 23 Ų | 23 | 37 Ų | 37 | 14% | 0.141 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -51.6 | -55.9 | -170.6 | -45.7 | 0 | 0 | 0 | 0 | 113.6 | G978 K984 V985 L986 L1037 Y1044 | G978-T982 WeakPolarHBondContact O-CA 3.49Å; G978-T982 VanDerWaalsContact O-CB 3.3Å; G978-T982 WeakPolarHBondContact O-CB 3.47Å; G978-T982 PolarHBondContact O-N 3.16Å; G978-T982 PolarHBondContact O-OG1 3.43Å; T982-K984 PolarHBondContact O-N 3.3Å; T982-K984 VanDerWaalsContact O-N 3.11Å; T982-V985 PolarHBondContact O-N 3.44Å; T982-L986 WeakPolarHBondContact O-CB 3.39Å; T982-L986 PolarHBondContact O-N 2.89Å; T982-L1037 HydrophobicContact CG2-CD1 3.47Å; T982-L1037 VanDerWaalsContact CG2-CD1 3.47Å; T982-L1037 HydrophobicContact CG2-CD2 3.45Å; T982-L1037 VanDerWaalsContact CG2-CD2 3.45Å; T982-L1037 HydrophobicContact CG2-CG 4.07Å; T982-L1037 WeakPolarHBondContact OG1-CD2 3.19Å; T982-Y1044 HydrophobicContact CG2-CE1 4.44Å; T982-Y1044 HydrophobicContact CG2-CE2 3.66Å; T982-Y1044 WeakPolarHBondContact CG2-OH 3.38Å |
| 983 | D | 84.3 | Confident | 88.4 | Confident | 81 Ų | 81 | 31.4 Ų | 31.4 | 43% | 0.433 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59 | -29 | -176.6 | -73.8 | -33.8 | 0 | 0 | 0 | 112.5 | L981 N987 K1043 Y1044 | L981-D983 PolarHBondContact O-N 3.23Å; D983-N987 VanDerWaalsContact O-CB 3.27Å; D983-N987 WeakPolarHBondContact O-CB 3.46Å; D983-N987 VanDerWaalsContact O-CG 3.27Å; D983-N987 PolarHBondContact O-ND2 3.05Å; D983-K1043 IonicContact OD1-NZ 3.33Å; D983-K1043 PolarHBondContact OD1-NZ 2.64Å; D983-K1043 IonicContact OD2-NZ 2.69Å; D983-K1043 PolarHBondContact OD2-NZ 3.17Å; D983-Y1044 WeakPolarHBondContact OD1-CE1 3.48Å; D983-Y1044 VanDerWaalsContact OD1-CZ 3.26Å; D983-Y1044 PolarHBondContact OD1-OH 3.07Å |
| 984 | K | 85.7 | Confident | 88.1 | Confident | 107 Ų | 107 | 32.7 Ų | 32.7 | 47% | 0.465 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -87.1 | -51.7 | -177.3 | -145.9 | 177.4 | -176.5 | -175.5 | 0 | 110.7 | L981 T982 L988 | L981-K984 HydrophobicContact CB-CB 4.48Å; L981-K984 PolarHBondContact O-N 2.98Å; L981-K984 VanDerWaalsContact O-N 3.1Å; T982-K984 PolarHBondContact O-N 3.3Å; T982-K984 VanDerWaalsContact O-N 3.11Å; K984-L988 WeakPolarHBondContact O-CB 3.39Å; K984-L988 VanDerWaalsContact O-CG 3.24Å; K984-L988 WeakPolarHBondContact O-CG 3.02Å; K984-L988 PolarHBondContact O-N 3.47Å |
| 985 | V | 88.6 | Confident | 87.8 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.5 | -46.7 | -176.5 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | F952 M977 L981 T982 N987 L988 L989 | F952-V985 HydrophobicContact CD2-CG1 4.19Å; F952-V985 HydrophobicContact CD2-CG2 4.46Å; F952-V985 HydrophobicContact CE2-CG1 3.96Å; M977-V985 HydrophobicContact CB-CG2 4.48Å; M977-V985 HydrophobicContact CE-CG2 4.07Å; M977-V985 HydrophobicContact CG-CG2 3.89Å; M977-V985 HydrophobicContact SD-CG2 4.08Å; L981-V985 HydrophobicContact CB-CG2 4.08Å; L981-V985 WeakPolarHBondContact O-CG2 3.26Å; L981-V985 PolarHBondContact O-N 3.35Å; T982-V985 PolarHBondContact O-N 3.44Å; V985-N987 PolarHBondContact O-N 2.99Å; V985-L988 PolarHBondContact O-N 3.35Å; V985-L989 HydrophobicContact CG1-CD1 4.02Å; V985-L989 HydrophobicContact CG1-CG 4.47Å; V985-L989 WeakPolarHBondContact O-CG 3.28Å; V985-L989 PolarHBondContact O-N 3.36Å |
| 986 | L | 90.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.2 | -42.1 | -178.1 | -169.8 | 65.3 | 0 | 0 | 0 | 111.2 | T982 L988 L989 L990 I1030 V1033 L1034 Y1044 V1048 | T982-L986 WeakPolarHBondContact O-CB 3.39Å; T982-L986 PolarHBondContact O-N 2.89Å; L986-L988 PolarHBondContact O-N 2.89Å; L986-L989 PolarHBondContact O-N 2.82Å; L986-L990 HydrophobicContact CD1-CD1 4.47Å; L986-L990 HydrophobicContact CG-CD1 3.9Å; L986-L990 HydrophobicContact CG-CG 4.4Å; L986-L990 WeakPolarHBondContact O-CB 3.43Å; L986-L990 VanDerWaalsContact O-CG 3.24Å; L986-L990 WeakPolarHBondContact O-CG 3.32Å; L986-L990 PolarHBondContact O-N 3.42Å; L986-I1030 HydrophobicContact CD1-CG2 4.07Å; L986-V1033 HydrophobicContact CD1-CB 4.35Å; L986-V1033 HydrophobicContact CD1-CG1 4.03Å; L986-L1034 HydrophobicContact CD1-CD1 4.35Å; L986-L1034 HydrophobicContact CD2-CD1 3.77Å; L986-Y1044 HydrophobicContact CD2-CD1 3.63Å; L986-Y1044 HydrophobicContact CD2-CD2 4.06Å; L986-Y1044 HydrophobicContact CD2-CE1 4.2Å; L986-Y1044 HydrophobicContact CD2-CG 3.54Å; L986-V1048 HydrophobicContact CD2-CG2 4.42Å |
| 987 | N | 88.7 | Confident | 86.8 | Confident | 51 Ų | 51 | 41 Ų | 41 | 27% | 0.273 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.6 | -39.5 | 174.8 | -83.1 | -27.1 | 0 | 0 | 0 | 112.7 | D983 V985 N991 | D983-N987 VanDerWaalsContact O-CB 3.27Å; D983-N987 WeakPolarHBondContact O-CB 3.46Å; D983-N987 VanDerWaalsContact O-CG 3.27Å; D983-N987 PolarHBondContact O-ND2 3.05Å; V985-N987 PolarHBondContact O-N 2.99Å; N987-N991 WeakPolarHBondContact O-CB 3.36Å; N987-N991 PolarHBondContact O-N 2.99Å; N987-N991 PolarHBondContact O-ND2 2.98Å |
| 988 | L | 89 | Confident | 86 | Confident | 76 Ų | 76 | 45.5 Ų | 45.5 | 40% | 0.398 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.2 | -47 | 175.5 | -74.3 | 169.2 | 0 | 0 | 0 | 111.1 | F952 K984 V985 L986 N991 Q992 | F952-L988 HydrophobicContact CD1-CD1 4.03Å; F952-L988 HydrophobicContact CE1-CB 3.79Å; F952-L988 HydrophobicContact CE1-CD1 3.92Å; F952-L988 HydrophobicContact CE1-CG 4.38Å; F952-L988 HydrophobicContact CE2-CB 4.15Å; F952-L988 HydrophobicContact CG-CD1 4.39Å; F952-L988 HydrophobicContact CZ-CB 3.48Å; F952-L988 VanDerWaalsContact CZ-CB 3.48Å; F952-L988 HydrophobicContact CZ-CD1 4.18Å; F952-L988 HydrophobicContact CZ-CG 4.45Å; K984-L988 WeakPolarHBondContact O-CB 3.39Å; K984-L988 VanDerWaalsContact O-CG 3.24Å; K984-L988 WeakPolarHBondContact O-CG 3.02Å; K984-L988 PolarHBondContact O-N 3.47Å; V985-L988 PolarHBondContact O-N 3.35Å; L986-L988 PolarHBondContact O-N 2.89Å; L988-N991 PolarHBondContact O-N 3.35Å; L988-Q992 VanDerWaalsContact O-CB 3.23Å; L988-Q992 WeakPolarHBondContact O-CB 3.42Å; L988-Q992 PolarHBondContact O-N 3.42Å |
| 989 | L | 90.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 177.6 | -68.4 | 172 | 0 | 0 | 0 | 112.1 | F952 T956 L974 V985 L986 Q992 F993 L1026 I1030 V1033 | F952-L989 HydrophobicContact CE2-CD2 4.01Å; F952-L989 HydrophobicContact CE2-CG 4.04Å; F952-L989 HydrophobicContact CZ-CD2 4.01Å; F952-L989 HydrophobicContact CZ-CG 4.2Å; T956-L989 HydrophobicContact CG2-CD2 4.35Å; L974-L989 HydrophobicContact CD1-CD2 4.36Å; L974-L989 HydrophobicContact CD2-CD2 4.33Å; V985-L989 HydrophobicContact CG1-CD1 4.02Å; V985-L989 HydrophobicContact CG1-CG 4.47Å; V985-L989 WeakPolarHBondContact O-CG 3.28Å; V985-L989 PolarHBondContact O-N 3.36Å; L986-L989 PolarHBondContact O-N 2.82Å; L989-Q992 PolarHBondContact O-N 3.42Å; L989-F993 WeakPolarHBondContact O-CB 3.45Å; L989-F993 PolarHBondContact O-N 3.47Å; L989-L1026 HydrophobicContact CD2-CD1 3.71Å; L989-I1030 HydrophobicContact CB-CD1 4.31Å; L989-I1030 HydrophobicContact CB-CG1 3.69Å; L989-I1030 HydrophobicContact CD1-CG1 4.44Å; L989-V1033 HydrophobicContact CD1-CG2 4.11Å |
| 990 | L | 91.5 | Very high | 83.7 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 178.8 | -72.9 | 168.1 | 0 | 0 | 0 | 112.1 | L986 Q992 F993 T994 I1030 E1047 V1048 S1051 | L986-L990 HydrophobicContact CD1-CD1 4.47Å; L986-L990 HydrophobicContact CG-CD1 3.9Å; L986-L990 HydrophobicContact CG-CG 4.4Å; L986-L990 WeakPolarHBondContact O-CB 3.43Å; L986-L990 VanDerWaalsContact O-CG 3.24Å; L986-L990 WeakPolarHBondContact O-CG 3.32Å; L986-L990 PolarHBondContact O-N 3.42Å; L990-Q992 VanDerWaalsContact C-N 3.3Å; L990-Q992 PolarHBondContact O-N 2.98Å; L990-F993 PolarHBondContact O-N 3.27Å; L990-T994 WeakPolarHBondContact O-CB 3.44Å; L990-T994 PolarHBondContact O-N 3.44Å; L990-T994 PolarHBondContact O-OG1 3.49Å; L990-I1030 HydrophobicContact CD2-CD1 4.1Å; L990-I1030 HydrophobicContact CD2-CG2 3.91Å; L990-E1047 HydrophobicContact CD1-CB 4.16Å; L990-V1048 HydrophobicContact CD1-CG2 4.1Å; L990-V1048 HydrophobicContact CD2-CG2 4.18Å; L990-S1051 WeakPolarHBondContact CD2-OG 3.46Å |
| 991 | N | 88.6 | Confident | 81.9 | Confident | 106 Ų | 106 | 51.1 Ų | 51.1 | 57% | 0.567 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.3 | -41.2 | 175.8 | -77.4 | -34.4 | 0 | 0 | 0 | 111.2 | N987 L988 K995 | N987-N991 WeakPolarHBondContact O-CB 3.36Å; N987-N991 PolarHBondContact O-N 2.99Å; N987-N991 PolarHBondContact O-ND2 2.98Å; L988-N991 PolarHBondContact O-N 3.35Å; N991-K995 WeakPolarHBondContact O-CB 3.31Å; N991-K995 PolarHBondContact O-N 2.82Å |
| 992 | Q | 87.3 | Confident | 79.8 | Confident | 60 Ų | 60 | 57.7 Ų | 57.7 | 28% | 0.28 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.5 | -45 | 178.6 | -156.8 | 174.6 | 21.6 | 0 | 0 | 110.9 | L988 L989 L990 K995 I996 L1026 | L988-Q992 VanDerWaalsContact O-CB 3.23Å; L988-Q992 WeakPolarHBondContact O-CB 3.42Å; L988-Q992 PolarHBondContact O-N 3.42Å; L989-Q992 PolarHBondContact O-N 3.42Å; L990-Q992 VanDerWaalsContact C-N 3.3Å; L990-Q992 PolarHBondContact O-N 2.98Å; Q992-K995 PolarHBondContact O-N 3.21Å; Q992-I996 HydrophobicContact CG-CD1 4.01Å; Q992-I996 WeakPolarHBondContact O-CB 3.34Å; Q992-I996 WeakPolarHBondContact O-CD1 3.33Å; Q992-I996 WeakPolarHBondContact O-CG1 3.26Å; Q992-I996 PolarHBondContact O-N 2.88Å; Q992-I996 VanDerWaalsContact O-N 3.09Å; Q992-L1026 HydrophobicContact CB-CD2 4.25Å; Q992-L1026 HydrophobicContact CG-CD2 4.42Å |
| 993 | F | 90 | Very high | 77.5 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.9 | -49.9 | 176.2 | -176.5 | -100.7 | 0 | 0 | 0 | 111.9 | L989 L990 K995 I996 V997 L1026 A1027 I1030 F1052 | L989-F993 WeakPolarHBondContact O-CB 3.45Å; L989-F993 PolarHBondContact O-N 3.47Å; L990-F993 PolarHBondContact O-N 3.27Å; F993-K995 PolarHBondContact O-N 3.31Å; F993-I996 PolarHBondContact O-N 3.46Å; F993-V997 HydrophobicContact CD1-CG2 4.23Å; F993-V997 HydrophobicContact CD2-CG2 4.42Å; F993-V997 HydrophobicContact CE1-CG2 3.87Å; F993-V997 HydrophobicContact CE2-CG2 4.06Å; F993-V997 HydrophobicContact CG-CG2 4.5Å; F993-V997 HydrophobicContact CZ-CG2 3.77Å; F993-V997 WeakPolarHBondContact O-CB 3.45Å; F993-V997 WeakPolarHBondContact O-CG2 3.36Å; F993-V997 PolarHBondContact O-N 3.39Å; F993-L1026 HydrophobicContact CB-CD2 3.73Å; F993-L1026 HydrophobicContact CB-CG 4.43Å; F993-L1026 HydrophobicContact CD2-CB 4.46Å; F993-L1026 HydrophobicContact CD2-CD2 4.15Å; F993-L1026 HydrophobicContact CG-CD2 4.47Å; F993-A1027 HydrophobicContact CD2-CB 4.32Å; F993-A1027 HydrophobicContact CE2-CB 3.74Å; F993-A1027 HydrophobicContact CZ-CB 4.24Å; F993-I1030 HydrophobicContact CB-CD1 3.77Å; F993-I1030 HydrophobicContact CG-CD1 4.06Å; F993-F1052 HydrophobicContact CE1-CD1 4Å; F993-F1052 HydrophobicContact CE1-CE1 4.38Å; F993-F1052 HydrophobicContact CZ-CD1 4.32Å |
| 994 | T | 87.3 | Confident | 75.4 | Confident | 27 Ų | 27 | 62.8 Ų | 62.8 | 17% | 0.166 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | -178.9 | -53 | 0 | 0 | 0 | 0 | 111.5 | L990 I996 V997 Q998 M1054 | L990-T994 WeakPolarHBondContact O-CB 3.44Å; L990-T994 PolarHBondContact O-N 3.44Å; L990-T994 PolarHBondContact O-OG1 3.49Å; T994-I996 VanDerWaalsContact C-N 3.35Å; T994-I996 PolarHBondContact O-N 3.39Å; T994-V997 PolarHBondContact O-N 3.14Å; T994-Q998 WeakPolarHBondContact O-CB 3.49Å; T994-Q998 VanDerWaalsContact O-CG 3.29Å; T994-Q998 WeakPolarHBondContact O-CG 3.48Å; T994-Q998 PolarHBondContact O-N 3.36Å; T994-M1054 HydrophobicContact CG2-CE 4.46Å; T994-M1054 HydrophobicContact CG2-SD 3.61Å |
| 995 | K | 84.8 | Confident | 72.9 | Confident | 156 Ų | 156 | 65.1 Ų | 65.1 | 68% | 0.678 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.8 | -42.3 | 179.4 | -167 | 177.2 | -174.4 | -178.3 | 0 | 111.7 | N991 Q992 F993 T999 | N991-K995 WeakPolarHBondContact O-CB 3.31Å; N991-K995 PolarHBondContact O-N 2.82Å; Q992-K995 PolarHBondContact O-N 3.21Å; F993-K995 PolarHBondContact O-N 3.31Å; K995-T999 PolarHBondContact O-N 3.16Å; K995-T999 PolarHBondContact O-OG1 3.17Å |
| 996 | I | 80.9 | Confident | 70.3 | Confident | 29 Ų | 29 | 70.4 Ų | 70.4 | 15% | 0.149 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.9 | -41.9 | -179.5 | -70.6 | 168.8 | 0 | 0 | 0 | 111.4 | Q992 F993 T994 T999 T1000 Y1022 K1023 L1026 | Q992-I996 HydrophobicContact CG-CD1 4.01Å; Q992-I996 WeakPolarHBondContact O-CB 3.34Å; Q992-I996 WeakPolarHBondContact O-CD1 3.33Å; Q992-I996 WeakPolarHBondContact O-CG1 3.26Å; Q992-I996 PolarHBondContact O-N 2.88Å; Q992-I996 VanDerWaalsContact O-N 3.09Å; F993-I996 PolarHBondContact O-N 3.46Å; T994-I996 VanDerWaalsContact C-N 3.35Å; T994-I996 PolarHBondContact O-N 3.39Å; I996-T999 WeakPolarHBondContact CA-OG1 3.46Å; I996-T999 PolarHBondContact O-N 2.92Å; I996-T999 PolarHBondContact O-OG1 3.05Å; I996-T1000 PolarHBondContact O-OG1 3.48Å; I996-Y1022 HydrophobicContact CD1-CD1 4.17Å; I996-Y1022 HydrophobicContact CD1-CE1 3.73Å; I996-K1023 HydrophobicContact CG2-CD 3.7Å; I996-K1023 HydrophobicContact CG2-CG 3.44Å; I996-K1023 VanDerWaalsContact CG2-CG 3.44Å; I996-L1026 HydrophobicContact CD1-CD2 4.28Å |
| 997 | V | 78.3 | Confident | 67.5 | Low | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65 | -40.3 | 176.5 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | F993 T994 T999 T1000 | F993-V997 HydrophobicContact CD1-CG2 4.23Å; F993-V997 HydrophobicContact CD2-CG2 4.42Å; F993-V997 HydrophobicContact CE1-CG2 3.87Å; F993-V997 HydrophobicContact CE2-CG2 4.06Å; F993-V997 HydrophobicContact CG-CG2 4.5Å; F993-V997 HydrophobicContact CZ-CG2 3.77Å; F993-V997 WeakPolarHBondContact O-CB 3.45Å; F993-V997 WeakPolarHBondContact O-CG2 3.36Å; F993-V997 PolarHBondContact O-N 3.39Å; T994-V997 PolarHBondContact O-N 3.14Å; V997-T999 VanDerWaalsContact C-N 3.34Å; V997-T999 PolarHBondContact O-N 2.91Å; V997-T1000 PolarHBondContact O-N 3.33Å; V997-T1000 PolarHBondContact O-OG1 3.36Å |
| 998 | Q | 74.7 | Confident | 64.6 | Low | 103 Ų | 103 | 79.9 Ų | 79.9 | 48% | 0.481 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 177.5 | -77.2 | 177.9 | 0.4 | 0 | 0 | 112.8 | T994 T1000 N1001 M1054 | T994-Q998 WeakPolarHBondContact O-CB 3.49Å; T994-Q998 VanDerWaalsContact O-CG 3.29Å; T994-Q998 WeakPolarHBondContact O-CG 3.48Å; T994-Q998 PolarHBondContact O-N 3.36Å; Q998-T1000 PolarHBondContact O-N 2.76Å; Q998-N1001 PolarHBondContact O-N 2.91Å; Q998-M1054 HydrophobicContact CG-SD 3.77Å; Q998-M1054 PolarHBondContact NE2-SD 3Å |
| 999 | T | 66.1 | Low | 61.8 | Low | 100 Ų | 100 | 82.2 Ų | 82.2 | 61% | 0.613 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.9 | -27.1 | 177.7 | 36 | 0 | 0 | 0 | 0 | 113.4 | K995 I996 V997 | K995-T999 PolarHBondContact O-N 3.16Å; K995-T999 PolarHBondContact O-OG1 3.17Å; I996-T999 WeakPolarHBondContact CA-OG1 3.46Å; I996-T999 PolarHBondContact O-N 2.92Å; I996-T999 PolarHBondContact O-OG1 3.05Å; V997-T999 VanDerWaalsContact C-N 3.34Å; V997-T999 PolarHBondContact O-N 2.91Å |
| 1000 | T | 55.8 | Low | 58.9 | Low | 44 Ų | 44 | 90.1 Ų | 90.1 | 27% | 0.27 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -85.4 | -13.3 | 177.3 | 39.4 | 0 | 0 | 0 | 0 | 115.7 | I996 V997 Q998 | I996-T1000 PolarHBondContact O-OG1 3.48Å; V997-T1000 PolarHBondContact O-N 3.33Å; V997-T1000 PolarHBondContact O-OG1 3.36Å; Q998-T1000 PolarHBondContact O-N 2.76Å |
| 1001 | N | 47.4 | Very low | 56.2 | Low | 61 Ų | 61 | 94.6 Ų | 94.6 | 33% | 0.326 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 10.6 | -177.6 | -72.5 | -5.6 | 0 | 0 | 0 | 113.9 | Q998 S1058 S1059 | Q998-N1001 PolarHBondContact O-N 2.91Å; N1001-S1058 WeakPolarHBondContact OD1-CA 3.44Å; N1001-S1059 PolarHBondContact OD1-N 3.39Å |
| 1002 | K | 41.4 | Very low | 53.5 | Low | 179 Ų | 179 | 94.2 Ų | 94.2 | 78% | 0.778 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -73.8 | 125.6 | 172.5 | -87.7 | -177.5 | 176.1 | 177.8 | 0 | 110 | ||
| 1003 | P | 35.7 | Very low | 51.2 | Low | 107 Ų | 107 | 96.5 Ų | 96.5 | 70% | 0.695 | 56% | 0.564 | S | S | * | * | trans | -63 | 139.6 | 176.8 | 26.5 | -32 | 0 | 0 | 0 | 109.3 | N1005 | P1003-N1005 PolarHBondContact O-N 3.26Š| ||
| 1004 | A | 39.2 | Very low | 48.8 | Very low | 103 Ų | 103 | 101.4 Ų | 101.4 | 85% | 0.851 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -68.6 | 61.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1005 | N | 33.2 | Very low | 46.6 | Very low | 157 Ų | 157 | 104.2 Ų | 104.2 | 84% | 0.84 | 61% | 0.611 | S | S | * | * | trans | -120.9 | 66.7 | 168 | -80.1 | -10.6 | 0 | 0 | 0 | 108.8 | P1003 | P1003-N1005 PolarHBondContact O-N 3.26Š| ||
| 1006 | S | 35.2 | Very low | 45 | Very low | 112 Ų | 112 | 98.5 Ų | 98.5 | 78% | 0.783 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -151.1 | 113.4 | 158.2 | 56.4 | 0 | 0 | 0 | 0 | 109 | ||
| 1007 | I | 30.6 | Very low | 43.5 | Very low | 186 Ų | 186 | 102.8 Ų | 102.8 | 95% | 0.954 | 62% | 0.619 | S | S | * | * | trans | -49.9 | 127.7 | -175.8 | -73 | 145.8 | 0 | 0 | 0 | 112.7 | ||||
| 1008 | G | 29.8 | Very low | 42.6 | Very low | 64 Ų | 64 | 108.1 Ų | 108.1 | 66% | 0.66 | 64% | 0.64 | S | S | * | * | trans | 89.5 | 74.3 | 146.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1009 | T | 29.3 | Very low | 42.6 | Very low | 125 Ų | 125 | 106.1 Ų | 106.1 | 77% | 0.767 | 63% | 0.633 | S | S | * | * | trans | -156 | 121.3 | 141.1 | -46.5 | 0 | 0 | 0 | 0 | 109.6 | V1011 | T1009-V1011 HydrophobicContact CG2-CG2 4.37Å; T1009-V1011 PolarHBondContact O-N 3.14Å; T1009-V1011 VanDerWaalsContact O-N 3.08Å | ||
| 1010 | I | 30.8 | Very low | 43.3 | Very low | 167 Ų | 167 | 102.5 Ų | 102.5 | 86% | 0.856 | 61% | 0.609 | S | S | * | * | trans | -69 | 98.8 | 169.4 | -61.3 | 166.7 | 0 | 0 | 0 | 106.5 | ||||
| 1011 | V | 34.2 | Very low | 44.5 | Very low | 99 Ų | 99 | 103.5 Ų | 103.5 | 60% | 0.6 | 61% | 0.611 | S | S | * | * | trans | -91.4 | 110.8 | 170.2 | -178.8 | 0 | 0 | 0 | 0 | 107.1 | T1009 S1013 T1015 | T1009-V1011 HydrophobicContact CG2-CG2 4.37Å; T1009-V1011 PolarHBondContact O-N 3.14Å; T1009-V1011 VanDerWaalsContact O-N 3.08Å; V1011-S1013 PolarHBondContact O-N 3.2Å; V1011-T1015 WeakPolarHBondContact CG1-OG1 3.47Å | ||
| 1012 | T | 31.3 | Very low | 46.2 | Very low | 97 Ų | 97 | 102.1 Ų | 102.1 | 60% | 0.595 | 60% | 0.602 | S | S | * | * | trans | -52.9 | 131.4 | 169.4 | 45.1 | 0 | 0 | 0 | 0 | 109.8 | T1014 | T1012-T1014 PolarHBondContact O-N 3.01Š| ||
| 1013 | S | 39.6 | Very low | 48.4 | Very low | 109 Ų | 109 | 93.9 Ų | 93.9 | 76% | 0.762 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 12.4 | -169.2 | 53.2 | 0 | 0 | 0 | 0 | 117.1 | V1011 | V1011-S1013 PolarHBondContact O-N 3.2Š|
| 1014 | T | 39.2 | Very low | 50.8 | Low | 105 Ų | 105 | 91.3 Ų | 91.3 | 64% | 0.644 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -19.4 | -175.8 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | T1012 | T1012-T1014 PolarHBondContact O-N 3.01Š|
| 1015 | T | 40.9 | Very low | 53.1 | Low | 86 Ų | 86 | 87 Ų | 87 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -86.5 | -17.9 | 179.9 | 53.8 | 0 | 0 | 0 | 0 | 114 | V1011 | V1011-T1015 WeakPolarHBondContact CG1-OG1 3.47Å |
| 1016 | G | 52 | Low | 55.8 | Low | 35 Ų | 35 | 79.5 Ų | 79.5 | 36% | 0.361 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.3 | -44 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1018 D1019 I1020 | G1016-Y1018 VanDerWaalsContact C-N 3.32Å; G1016-Y1018 PolarHBondContact O-N 3.29Å; G1016-D1019 PolarHBondContact O-N 2.94Å; G1016-I1020 WeakPolarHBondContact O-CD1 3.48Å; G1016-I1020 WeakPolarHBondContact O-CG1 3.31Å; G1016-I1020 PolarHBondContact O-N 3.39Å; G1016-I1020 VanDerWaalsContact O-N 3.08Å |
| 1017 | D | 49.9 | Very low | 58.3 | Low | 119 Ų | 119 | 74.2 Ų | 74.2 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.6 | -38 | -178.3 | -71.9 | -13.2 | 0 | 0 | 0 | 112.3 | D1019 I1020 E1021 | D1017-D1019 PolarHBondContact O-N 2.83Å; D1017-I1020 PolarHBondContact O-N 3.15Å; D1017-E1021 WeakPolarHBondContact O-CB 3.41Å; D1017-E1021 PolarHBondContact O-N 3.11Å |
| 1018 | Y | 58.6 | Low | 61 | Low | 113 Ų | 113 | 68.6 Ų | 68.6 | 44% | 0.443 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 178.7 | -144.1 | -87.1 | 0 | 0 | 0 | 112.4 | S960 T962 G1016 Y1022 | S960-Y1018 WeakPolarHBondContact O-CE1 3.26Å; S960-Y1018 PolarHBondContact O-OH 3.41Å; T962-Y1018 HydrophobicContact CG2-CE2 3.66Å; G1016-Y1018 VanDerWaalsContact C-N 3.32Å; G1016-Y1018 PolarHBondContact O-N 3.29Å; Y1018-Y1022 WeakPolarHBondContact O-CB 3.46Å; Y1018-Y1022 PolarHBondContact O-N 2.98Å; Y1018-Y1022 VanDerWaalsContact O-N 3.09Å |
| 1019 | D | 74.4 | Confident | 63.8 | Low | 61 Ų | 61 | 65.5 Ų | 65.5 | 33% | 0.326 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.5 | -36.3 | 177.9 | -171 | 35 | 0 | 0 | 0 | 111.2 | G1016 D1017 K1023 | G1016-D1019 PolarHBondContact O-N 2.94Å; D1017-D1019 PolarHBondContact O-N 2.83Å; D1019-K1023 WeakPolarHBondContact O-CD 3.44Å; D1019-K1023 VanDerWaalsContact O-CE 3.29Å; D1019-K1023 WeakPolarHBondContact O-CE 3.45Å; D1019-K1023 WeakPolarHBondContact O-CG 3.35Å; D1019-K1023 PolarHBondContact O-N 2.8Å; D1019-K1023 VanDerWaalsContact O-N 3.14Å; D1019-K1023 VanDerWaalsContact OD1-CE 3.23Å; D1019-K1023 WeakPolarHBondContact OD1-CE 3.36Å; D1019-K1023 IonicContact OD1-NZ 3.7Å; D1019-K1023 WeakPolarHBondContact OD2-CE 3.37Å; D1019-K1023 IonicContact OD2-NZ 2.9Å; D1019-K1023 PolarHBondContact OD2-NZ 3.25Å |
| 1020 | I | 81.2 | Confident | 66.8 | Low | 23 Ų | 23 | 59.6 Ų | 59.6 | 12% | 0.118 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.5 | -49.9 | 173.5 | -62.6 | 156.2 | 0 | 0 | 0 | 110.3 | G1016 D1017 Y1022 K1023 L1024 D1060 L1062 I1063 | G1016-I1020 WeakPolarHBondContact O-CD1 3.48Å; G1016-I1020 WeakPolarHBondContact O-CG1 3.31Å; G1016-I1020 PolarHBondContact O-N 3.39Å; G1016-I1020 VanDerWaalsContact O-N 3.08Å; D1017-I1020 PolarHBondContact O-N 3.15Å; I1020-Y1022 VanDerWaalsContact C-N 3.3Å; I1020-Y1022 PolarHBondContact O-N 2.55Å; I1020-K1023 WeakPolarHBondContact O-CB 3.23Å; I1020-K1023 PolarHBondContact O-N 3.23Å; I1020-K1023 VanDerWaalsContact O-N 3.09Å; I1020-L1024 HydrophobicContact CG2-CD1 4.14Å; I1020-L1024 HydrophobicContact CG2-CG 4.36Å; I1020-L1024 WeakPolarHBondContact O-CG 3.21Å; I1020-L1024 PolarHBondContact O-N 3.23Å; I1020-D1060 WeakPolarHBondContact CD1-OD2 3.43Å; I1020-L1062 HydrophobicContact CG2-CB 4.32Å; I1020-L1062 HydrophobicContact CG2-CD1 4.36Å; I1020-I1063 HydrophobicContact CG1-CD1 4.5Å; I1020-I1063 HydrophobicContact CG2-CG1 4.18Å |
| 1021 | E | 80.4 | Confident | 69.7 | Low | 66 Ų | 66 | 52 Ų | 52 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.1 | -42.7 | -178.5 | -156 | -163.8 | 163.9 | 0 | 0 | 111.4 | D1017 K1023 L1024 K1025 | D1017-E1021 WeakPolarHBondContact O-CB 3.41Å; D1017-E1021 PolarHBondContact O-N 3.11Å; E1021-K1023 PolarHBondContact O-N 3.43Å; E1021-L1024 PolarHBondContact O-N 3.31Å; E1021-K1025 VanDerWaalsContact O-CG 3.27Å; E1021-K1025 WeakPolarHBondContact O-CG 3.01Å; E1021-K1025 PolarHBondContact O-N 3.23Å; E1021-K1025 WeakPolarHBondContact OE1-CE 3.23Å; E1021-K1025 IonicContact OE1-NZ 3.95Å; E1021-K1025 PolarHBondContact OE1-NZ 3.37Å; E1021-K1025 IonicContact OE2-NZ 3.09Å |
| 1022 | Y | 84.3 | Confident | 72.4 | Confident | 32 Ų | 32 | 52.2 Ų | 52.2 | 13% | 0.125 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 175.2 | -176.5 | -103.7 | 0 | 0 | 0 | 112.4 | T956 L959 I996 Y1018 I1020 L1024 K1025 L1026 | T956-Y1022 PolarHBondContact O-OH 3.47Å; L959-Y1022 HydrophobicContact CB-CD2 4.17Å; L959-Y1022 HydrophobicContact CB-CE2 3.65Å; I996-Y1022 HydrophobicContact CD1-CD1 4.17Å; I996-Y1022 HydrophobicContact CD1-CE1 3.73Å; Y1018-Y1022 WeakPolarHBondContact O-CB 3.46Å; Y1018-Y1022 PolarHBondContact O-N 2.98Å; Y1018-Y1022 VanDerWaalsContact O-N 3.09Å; I1020-Y1022 VanDerWaalsContact C-N 3.3Å; I1020-Y1022 PolarHBondContact O-N 2.55Å; Y1022-L1024 VanDerWaalsContact C-N 3.34Å; Y1022-L1024 PolarHBondContact O-N 3.03Å; Y1022-K1025 PolarHBondContact O-N 2.98Å; Y1022-L1026 HydrophobicContact CE1-CD2 4.46Å; Y1022-L1026 WeakPolarHBondContact O-CB 3.5Å; Y1022-L1026 PolarHBondContact O-N 3.1Å |
| 1023 | K | 86 | Confident | 75.2 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 2% | 0.022 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 176.5 | -72 | 166.7 | -149.5 | 172.5 | 0 | 112.2 | I996 D1019 I1020 E1021 L1026 A1027 I1063 | I996-K1023 HydrophobicContact CG2-CD 3.7Å; I996-K1023 HydrophobicContact CG2-CG 3.44Å; I996-K1023 VanDerWaalsContact CG2-CG 3.44Å; D1019-K1023 WeakPolarHBondContact O-CD 3.44Å; D1019-K1023 VanDerWaalsContact O-CE 3.29Å; D1019-K1023 WeakPolarHBondContact O-CE 3.45Å; D1019-K1023 WeakPolarHBondContact O-CG 3.35Å; D1019-K1023 PolarHBondContact O-N 2.8Å; D1019-K1023 VanDerWaalsContact O-N 3.14Å; D1019-K1023 VanDerWaalsContact OD1-CE 3.23Å; D1019-K1023 WeakPolarHBondContact OD1-CE 3.36Å; D1019-K1023 IonicContact OD1-NZ 3.7Å; D1019-K1023 WeakPolarHBondContact OD2-CE 3.37Å; D1019-K1023 IonicContact OD2-NZ 2.9Å; D1019-K1023 PolarHBondContact OD2-NZ 3.25Å; I1020-K1023 WeakPolarHBondContact O-CB 3.23Å; I1020-K1023 PolarHBondContact O-N 3.23Å; I1020-K1023 VanDerWaalsContact O-N 3.09Å; E1021-K1023 PolarHBondContact O-N 3.43Å; K1023-L1026 PolarHBondContact O-N 3.08Å; K1023-A1027 WeakPolarHBondContact O-CB 3.44Å; K1023-A1027 PolarHBondContact O-N 2.92Å; K1023-I1063 HydrophobicContact CB-CD1 4.45Å; K1023-I1063 HydrophobicContact CD-CD1 3.45Å; K1023-I1063 VanDerWaalsContact CD-CD1 3.45Å; K1023-I1063 HydrophobicContact CD-CG1 4.46Å |
| 1024 | L | 86.5 | Confident | 77.6 | Confident | 53 Ų | 53 | 42.4 Ų | 42.4 | 28% | 0.277 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.8 | -46.9 | 177.1 | -65.2 | 176.3 | 0 | 0 | 0 | 111.1 | I1020 E1021 Y1022 L1026 A1027 E1028 L1062 A1066 | I1020-L1024 HydrophobicContact CG2-CD1 4.14Å; I1020-L1024 HydrophobicContact CG2-CG 4.36Å; I1020-L1024 WeakPolarHBondContact O-CG 3.21Å; I1020-L1024 PolarHBondContact O-N 3.23Å; E1021-L1024 PolarHBondContact O-N 3.31Å; Y1022-L1024 VanDerWaalsContact C-N 3.34Å; Y1022-L1024 PolarHBondContact O-N 3.03Å; L1024-L1026 VanDerWaalsContact C-N 3.3Å; L1024-L1026 PolarHBondContact O-N 3.49Å; L1024-A1027 PolarHBondContact O-N 3.34Å; L1024-E1028 PolarHBondContact O-N 3.18Å; L1024-L1062 HydrophobicContact CD1-CB 4.49Å; L1024-A1066 HydrophobicContact CD2-CB 3.29Å |
| 1025 | K | 87.6 | Confident | 80 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.4 | -36.8 | 177.2 | -64.9 | 169.9 | -179 | 166.7 | 0 | 111.9 | L959 H961 Y967 I971 E1021 Y1022 S1029 | L959-K1025 HydrophobicContact CD2-CB 3.48Å; L959-K1025 VanDerWaalsContact CD2-CB 3.48Å; L959-K1025 WeakPolarHBondContact O-CD 3.34Å; H961-K1025 PolarHBondContact O-NZ 3.44Å; Y967-K1025 HydrophobicContact CD1-CD 4.13Å; Y967-K1025 HydrophobicContact CD2-CD 3.82Å; Y967-K1025 HydrophobicContact CD2-CG 3.97Å; Y967-K1025 VanDerWaalsContact CE1-CE 3.44Å; Y967-K1025 HydrophobicContact CE2-CD 4.31Å; Y967-K1025 HydrophobicContact CE2-CG 4.2Å; Y967-K1025 HydrophobicContact CG-CD 3.78Å; Y967-K1025 HydrophobicContact CG-CG 4.44Å; I971-K1025 HydrophobicContact CD1-CB 4.41Å; E1021-K1025 VanDerWaalsContact O-CG 3.27Å; E1021-K1025 WeakPolarHBondContact O-CG 3.01Å; E1021-K1025 PolarHBondContact O-N 3.23Å; E1021-K1025 WeakPolarHBondContact OE1-CE 3.23Å; E1021-K1025 IonicContact OE1-NZ 3.95Å; E1021-K1025 PolarHBondContact OE1-NZ 3.37Å; E1021-K1025 IonicContact OE2-NZ 3.09Å; Y1022-K1025 PolarHBondContact O-N 2.98Å; K1025-S1029 PolarHBondContact O-N 3.49Å |
| 1026 | L | 89.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67 | -44 | 175.8 | -163.2 | 73.5 | 0 | 0 | 0 | 111.5 | L959 L989 Q992 F993 I996 Y1022 K1023 L1024 E1028 S1029 I1030 | L959-L1026 HydrophobicContact CD1-CD1 3.86Å; L989-L1026 HydrophobicContact CD2-CD1 3.71Å; Q992-L1026 HydrophobicContact CB-CD2 4.25Å; Q992-L1026 HydrophobicContact CG-CD2 4.42Å; F993-L1026 HydrophobicContact CB-CD2 3.73Å; F993-L1026 HydrophobicContact CB-CG 4.43Å; F993-L1026 HydrophobicContact CD2-CB 4.46Å; F993-L1026 HydrophobicContact CD2-CD2 4.15Å; F993-L1026 HydrophobicContact CG-CD2 4.47Å; I996-L1026 HydrophobicContact CD1-CD2 4.28Å; Y1022-L1026 HydrophobicContact CE1-CD2 4.46Å; Y1022-L1026 WeakPolarHBondContact O-CB 3.5Å; Y1022-L1026 PolarHBondContact O-N 3.1Å; K1023-L1026 PolarHBondContact O-N 3.08Å; L1024-L1026 VanDerWaalsContact C-N 3.3Å; L1024-L1026 PolarHBondContact O-N 3.49Å; L1026-E1028 PolarHBondContact O-N 3.45Å; L1026-S1029 PolarHBondContact O-N 3.23Å; L1026-S1029 VanDerWaalsContact O-N 3.17Å; L1026-S1029 PolarHBondContact O-OG 2.82Å; L1026-I1030 WeakPolarHBondContact O-CG1 3.48Å; L1026-I1030 PolarHBondContact O-N 2.96Å |
| 1027 | A | 88.2 | Confident | 83.8 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F993 K1023 L1024 S1029 I1030 M1031 F1052 N1070 | F993-A1027 HydrophobicContact CD2-CB 4.32Å; F993-A1027 HydrophobicContact CE2-CB 3.74Å; F993-A1027 HydrophobicContact CZ-CB 4.24Å; K1023-A1027 WeakPolarHBondContact O-CB 3.44Å; K1023-A1027 PolarHBondContact O-N 2.92Å; L1024-A1027 PolarHBondContact O-N 3.34Å; A1027-S1029 VanDerWaalsContact C-N 3.33Å; A1027-S1029 PolarHBondContact O-N 3.37Å; A1027-I1030 WeakPolarHBondContact O-CB 3.37Å; A1027-I1030 PolarHBondContact O-N 3.44Å; A1027-M1031 PolarHBondContact O-N 3.31Å; A1027-M1031 VanDerWaalsContact O-N 3.09Å; A1027-F1052 HydrophobicContact CB-CE1 4.03Å; A1027-N1070 WeakPolarHBondContact CB-ND2 3.44Å |
| 1028 | E | 86.5 | Confident | 85.4 | Confident | 67 Ų | 67 | 35.8 Ų | 35.8 | 31% | 0.313 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.6 | -41.4 | 173.5 | 176.1 | 61.2 | -161.5 | 0 | 0 | 111.4 | I971 L1024 L1026 I1030 M1031 R1032 | I971-E1028 HydrophobicContact CD1-CB 4.48Å; I971-E1028 HydrophobicContact CD1-CG 4.11Å; I971-E1028 HydrophobicContact CG2-CG 4.49Å; L1024-E1028 PolarHBondContact O-N 3.18Å; L1026-E1028 PolarHBondContact O-N 3.45Å; E1028-I1030 VanDerWaalsContact C-N 3.34Å; E1028-I1030 PolarHBondContact O-N 3.41Å; E1028-M1031 PolarHBondContact O-N 3.49Å; E1028-R1032 WeakPolarHBondContact O-CB 3.35Å; E1028-R1032 PolarHBondContact O-N 3.48Å; E1028-R1032 IonicContact OE1-CZ 3.09Å; E1028-R1032 IonicContact OE1-NE 3.86Å; E1028-R1032 PolarHBondContact OE1-NE 2.79Å; E1028-R1032 IonicContact OE1-NH2 2.85Å |
| 1029 | S | 90.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -39.5 | 177.7 | 76 | 0 | 0 | 0 | 0 | 112.8 | K1025 L1026 A1027 R1032 V1033 | K1025-S1029 PolarHBondContact O-N 3.49Å; L1026-S1029 PolarHBondContact O-N 3.23Å; L1026-S1029 VanDerWaalsContact O-N 3.17Å; L1026-S1029 PolarHBondContact O-OG 2.82Å; A1027-S1029 VanDerWaalsContact C-N 3.33Å; A1027-S1029 PolarHBondContact O-N 3.37Å; S1029-R1032 PolarHBondContact O-N 3.09Å; S1029-V1033 VanDerWaalsContact O-CG2 3.27Å; S1029-V1033 WeakPolarHBondContact O-CG2 3.45Å; S1029-V1033 PolarHBondContact O-N 3.32Å |
| 1030 | I | 92 | Very high | 87 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -49.8 | 174.6 | -68.3 | 163.3 | 0 | 0 | 0 | 109.9 | L986 L989 L990 F993 L1026 A1027 E1028 R1032 V1033 L1034 V1048 F1052 | L986-I1030 HydrophobicContact CD1-CG2 4.07Å; L989-I1030 HydrophobicContact CB-CD1 4.31Å; L989-I1030 HydrophobicContact CB-CG1 3.69Å; L989-I1030 HydrophobicContact CD1-CG1 4.44Å; L990-I1030 HydrophobicContact CD2-CD1 4.1Å; L990-I1030 HydrophobicContact CD2-CG2 3.91Å; F993-I1030 HydrophobicContact CB-CD1 3.77Å; F993-I1030 HydrophobicContact CG-CD1 4.06Å; L1026-I1030 WeakPolarHBondContact O-CG1 3.48Å; L1026-I1030 PolarHBondContact O-N 2.96Å; A1027-I1030 WeakPolarHBondContact O-CB 3.37Å; A1027-I1030 PolarHBondContact O-N 3.44Å; E1028-I1030 VanDerWaalsContact C-N 3.34Å; E1028-I1030 PolarHBondContact O-N 3.41Å; I1030-R1032 VanDerWaalsContact C-N 3.33Å; I1030-R1032 PolarHBondContact O-N 3.47Å; I1030-V1033 PolarHBondContact O-N 2.94Å; I1030-L1034 PolarHBondContact O-N 3.23Å; I1030-V1048 HydrophobicContact CG2-CG1 4.29Å; I1030-F1052 HydrophobicContact CB-CZ 4.2Å; I1030-F1052 HydrophobicContact CG2-CE2 4.47Å; I1030-F1052 HydrophobicContact CG2-CZ 3.84Å |
| 1031 | M | 91.8 | Very high | 87.4 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 3% | 0.034 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.3 | -37 | -177.8 | -160.2 | 61.4 | -135 | 0 | 0 | 111.8 | A1027 E1028 L1034 S1035 F1052 E1073 L1074 | A1027-M1031 PolarHBondContact O-N 3.31Å; A1027-M1031 VanDerWaalsContact O-N 3.09Å; E1028-M1031 PolarHBondContact O-N 3.49Å; M1031-L1034 HydrophobicContact CE-CB 4.33Å; M1031-L1034 HydrophobicContact CE-CD2 4.13Å; M1031-L1034 PolarHBondContact O-N 3.39Å; M1031-S1035 WeakPolarHBondContact O-CB 3.45Å; M1031-S1035 PolarHBondContact O-N 3.17Å; M1031-F1052 HydrophobicContact SD-CE2 4.24Å; M1031-E1073 HydrophobicContact CE-CB 4.11Å; M1031-E1073 HydrophobicContact CE-CG 4.07Å; M1031-E1073 HydrophobicContact CG-CB 4.19Å; M1031-E1073 HydrophobicContact CG-CG 4.27Å; M1031-E1073 HydrophobicContact SD-CB 4.4Å; M1031-L1074 HydrophobicContact CE-CB 4.2Å; M1031-L1074 HydrophobicContact CE-CD1 4.44Å; M1031-L1074 HydrophobicContact SD-CB 4.33Å |
| 1032 | R | 90.3 | Very high | 87.8 | Confident | 104 Ų | 104 | 38.6 Ų | 38.6 | 39% | 0.392 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65 | -43.5 | 176.1 | -152.4 | 83.8 | 88.5 | 136.6 | 11.3 | 112.2 | I971 S975 E1028 S1029 I1030 L1034 S1035 N1036 | I971-R1032 HydrophobicContact CG2-CB 4.2Å; I971-R1032 HydrophobicContact CG2-CG 4.32Å; S975-R1032 PolarHBondContact OG-O 3.32Å; E1028-R1032 WeakPolarHBondContact O-CB 3.35Å; E1028-R1032 PolarHBondContact O-N 3.48Å; E1028-R1032 IonicContact OE1-CZ 3.09Å; E1028-R1032 IonicContact OE1-NE 3.86Å; E1028-R1032 PolarHBondContact OE1-NE 2.79Å; E1028-R1032 IonicContact OE1-NH2 2.85Å; S1029-R1032 PolarHBondContact O-N 3.09Å; I1030-R1032 VanDerWaalsContact C-N 3.33Å; I1030-R1032 PolarHBondContact O-N 3.47Å; R1032-L1034 VanDerWaalsContact C-N 3.33Å; R1032-S1035 PolarHBondContact O-N 3.36Å; R1032-S1035 PolarHBondContact O-OG 3.49Å; R1032-N1036 PolarHBondContact O-N 3.09Å |
| 1033 | V | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.4 | -50.1 | 172.1 | 170.5 | 0 | 0 | 0 | 0 | 109.4 | L986 L989 S1029 I1030 S1035 N1036 | L986-V1033 HydrophobicContact CD1-CB 4.35Å; L986-V1033 HydrophobicContact CD1-CG1 4.03Å; L989-V1033 HydrophobicContact CD1-CG2 4.11Å; S1029-V1033 VanDerWaalsContact O-CG2 3.27Å; S1029-V1033 WeakPolarHBondContact O-CG2 3.45Å; S1029-V1033 PolarHBondContact O-N 3.32Å; I1030-V1033 PolarHBondContact O-N 2.94Å; V1033-S1035 VanDerWaalsContact C-N 3.31Å; V1033-S1035 PolarHBondContact O-N 3.08Å; V1033-N1036 PolarHBondContact O-N 3.14Å |
| 1034 | L | 89.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -40.9 | -178 | -143.7 | 82.9 | 0 | 0 | 0 | 112.6 | L986 I1030 M1031 R1032 N1036 L1037 A1041 V1048 L1074 L1077 | L986-L1034 HydrophobicContact CD1-CD1 4.35Å; L986-L1034 HydrophobicContact CD2-CD1 3.77Å; I1030-L1034 PolarHBondContact O-N 3.23Å; M1031-L1034 HydrophobicContact CE-CB 4.33Å; M1031-L1034 HydrophobicContact CE-CD2 4.13Å; M1031-L1034 PolarHBondContact O-N 3.39Å; R1032-L1034 VanDerWaalsContact C-N 3.33Å; L1034-N1036 VanDerWaalsContact C-N 3.25Å; L1034-N1036 PolarHBondContact O-N 3.33Å; L1034-L1037 HydrophobicContact CD1-CD1 4.23Å; L1034-L1037 WeakPolarHBondContact O-CB 3.27Å; L1034-L1037 PolarHBondContact O-N 2.99Å; L1034-L1037 VanDerWaalsContact O-N 3.16Å; L1034-A1041 HydrophobicContact CG-CB 4.32Å; L1034-V1048 HydrophobicContact CD1-CG2 3.7Å; L1034-V1048 HydrophobicContact CD2-CG1 4.32Å; L1034-V1048 HydrophobicContact CD2-CG2 4.4Å; L1034-L1074 HydrophobicContact CD2-CD1 3.2Å; L1034-L1077 HydrophobicContact CD2-CD2 4.07Å; L1034-L1077 HydrophobicContact CG-CD2 4.3Å |
| 1035 | S | 88.7 | Confident | 88.7 | Confident | 43 Ų | 43 | 43.3 Ų | 43.3 | 30% | 0.301 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.5 | -33.7 | -179.2 | 74.3 | 0 | 0 | 0 | 0 | 113.3 | M1031 R1032 V1033 L1037 | M1031-S1035 WeakPolarHBondContact O-CB 3.45Å; M1031-S1035 PolarHBondContact O-N 3.17Å; R1032-S1035 PolarHBondContact O-N 3.36Å; R1032-S1035 PolarHBondContact O-OG 3.49Å; V1033-S1035 VanDerWaalsContact C-N 3.31Å; V1033-S1035 PolarHBondContact O-N 3.08Å; S1035-L1037 VanDerWaalsContact C-N 3.34Å |
| 1036 | N | 87.8 | Confident | 88.8 | Confident | 95 Ų | 95 | 46 Ų | 46 | 51% | 0.508 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -82.2 | -10.3 | -179.8 | -74.2 | -3.2 | 0 | 0 | 0 | 113.8 | S975 C979 R1032 V1033 L1034 G1038 | S975-N1036 PolarHBondContact OG-ND2 3.32Å; C979-N1036 WeakPolarHBondContact SG-CB 3.43Å; R1032-N1036 PolarHBondContact O-N 3.09Å; V1033-N1036 PolarHBondContact O-N 3.14Å; L1034-N1036 VanDerWaalsContact C-N 3.25Å; L1034-N1036 PolarHBondContact O-N 3.33Å; N1036-G1038 VanDerWaalsContact C-N 3.28Å; N1036-G1038 PolarHBondContact O-N 3.01Å |
| 1037 | L | 85.6 | Confident | 88.9 | Confident | 22 Ų | 22 | 50.7 Ų | 50.7 | 12% | 0.115 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -17.8 | 177.2 | -64.4 | 173.5 | 0 | 0 | 0 | 113.1 | T982 L1034 S1035 E1039 V1040 A1041 Y1044 | T982-L1037 HydrophobicContact CG2-CD1 3.47Å; T982-L1037 VanDerWaalsContact CG2-CD1 3.47Å; T982-L1037 HydrophobicContact CG2-CD2 3.45Å; T982-L1037 VanDerWaalsContact CG2-CD2 3.45Å; T982-L1037 HydrophobicContact CG2-CG 4.07Å; T982-L1037 WeakPolarHBondContact OG1-CD2 3.19Å; L1034-L1037 HydrophobicContact CD1-CD1 4.23Å; L1034-L1037 WeakPolarHBondContact O-CB 3.27Å; L1034-L1037 PolarHBondContact O-N 2.99Å; L1034-L1037 VanDerWaalsContact O-N 3.16Å; S1035-L1037 VanDerWaalsContact C-N 3.34Å; L1037-E1039 PolarHBondContact O-N 2.88Å; L1037-V1040 HydrophobicContact CB-CB 4.46Å; L1037-V1040 PolarHBondContact O-N 2.92Å; L1037-A1041 HydrophobicContact CB-CB 4.22Å; L1037-Y1044 HydrophobicContact CD1-CD2 3.89Å; L1037-Y1044 HydrophobicContact CD1-CE2 3.89Å |
| 1038 | G | 82.2 | Confident | 89.1 | Confident | 46 Ų | 46 | 50.6 Ų | 50.6 | 47% | 0.474 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | 54.2 | -121.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1036 V1040 A1041 | N1036-G1038 VanDerWaalsContact C-N 3.28Å; N1036-G1038 PolarHBondContact O-N 3.01Å; G1038-V1040 PolarHBondContact O-N 3.29Å; G1038-V1040 VanDerWaalsContact O-N 3.13Å; G1038-A1041 VanDerWaalsContact O-CB 3.27Å; G1038-A1041 WeakPolarHBondContact O-CB 3.44Å; G1038-A1041 PolarHBondContact O-N 3.36Å; G1038-A1041 VanDerWaalsContact O-N 3.16Å |
| 1039 | E | 80.9 | Confident | 89.5 | Confident | 196 Ų | 196 | 47.7 Ų | 47.7 | 92% | 0.916 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -64.3 | -16.1 | -176.3 | -62 | -171.1 | 172.8 | 0 | 0 | 114.6 | L1037 P1042 | L1037-E1039 PolarHBondContact O-N 2.88Å; E1039-P1042 VanDerWaalsContact O-CD 3.25Å; E1039-P1042 WeakPolarHBondContact O-CD 3.47Å |
| 1040 | V | 86.7 | Confident | 89.6 | Confident | 84 Ų | 84 | 52 Ų | 52 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -86.1 | -17.5 | 179.3 | -168.1 | 0 | 0 | 0 | 0 | 112.1 | L1037 G1038 P1042 K1043 Y1044 | L1037-V1040 HydrophobicContact CB-CB 4.46Å; L1037-V1040 PolarHBondContact O-N 2.92Å; G1038-V1040 PolarHBondContact O-N 3.29Å; G1038-V1040 VanDerWaalsContact O-N 3.13Å; V1040-P1042 VanDerWaalsContact C-N 3.33Å; V1040-K1043 WeakPolarHBondContact O-CB 3.37Å; V1040-K1043 PolarHBondContact O-N 3.42Å; V1040-Y1044 HydrophobicContact CG1-CE2 4.49Å |
| 1041 | A | 88.8 | Confident | 89.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -52.5 | -36.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1034 L1037 G1038 K1043 Y1044 L1077 L1078 | L1034-A1041 HydrophobicContact CG-CB 4.32Å; L1037-A1041 HydrophobicContact CB-CB 4.22Å; G1038-A1041 VanDerWaalsContact O-CB 3.27Å; G1038-A1041 WeakPolarHBondContact O-CB 3.44Å; G1038-A1041 PolarHBondContact O-N 3.36Å; G1038-A1041 VanDerWaalsContact O-N 3.16Å; A1041-K1043 PolarHBondContact O-N 3.32Å; A1041-K1043 VanDerWaalsContact O-N 3.08Å; A1041-Y1044 PolarHBondContact O-N 3.45Å; A1041-Y1044 VanDerWaalsContact O-N 3.1Å; A1041-L1077 HydrophobicContact CB-CD2 3.46Å; A1041-L1077 VanDerWaalsContact CB-CD2 3.46Å; A1041-L1078 HydrophobicContact CB-CD2 3.67Å |
| 1042 | P | 89.6 | Confident | 89.7 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 28% | 0.279 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -54.7 | -28.2 | 179 | -28.4 | 35.8 | 0 | 0 | 0 | 115.4 | E1039 V1040 Y1044 R1045 L1078 S1081 | E1039-P1042 VanDerWaalsContact O-CD 3.25Å; E1039-P1042 WeakPolarHBondContact O-CD 3.47Å; V1040-P1042 VanDerWaalsContact C-N 3.33Å; P1042-Y1044 PolarHBondContact O-N 2.99Å; P1042-R1045 VanDerWaalsContact O-CB 3.32Å; P1042-R1045 WeakPolarHBondContact O-CB 3.28Å; P1042-R1045 PolarHBondContact O-N 3.48Å; P1042-L1078 HydrophobicContact CB-CD2 4.33Å; P1042-L1078 HydrophobicContact CG-CD2 3.86Å; P1042-S1081 WeakPolarHBondContact CB-OG 3.43Å; P1042-S1081 VanDerWaalsContact CG-OG 3.3Å; P1042-S1081 WeakPolarHBondContact CG-OG 3.49Å |
| 1043 | K | 90.5 | Very high | 89.8 | Confident | 133 Ų | 133 | 48.5 Ų | 48.5 | 58% | 0.578 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -57.3 | -34.3 | 178.3 | -176.6 | -171.5 | 173.9 | -160.8 | 0 | 112.2 | D983 V1040 A1041 | D983-K1043 IonicContact OD1-NZ 3.33Å; D983-K1043 PolarHBondContact OD1-NZ 2.64Å; D983-K1043 IonicContact OD2-NZ 2.69Å; D983-K1043 PolarHBondContact OD2-NZ 3.17Å; V1040-K1043 WeakPolarHBondContact O-CB 3.37Å; V1040-K1043 PolarHBondContact O-N 3.42Å; A1041-K1043 PolarHBondContact O-N 3.32Å; A1041-K1043 VanDerWaalsContact O-N 3.08Å |
| 1044 | Y | 92 | Very high | 89.8 | Confident | 9 Ų | 9 | 52 Ų | 52 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -100 | 2.6 | -173.3 | -54.5 | -78.7 | 0 | 0 | 0 | 113.4 | T982 D983 L986 L1037 V1040 A1041 P1042 T1046 E1047 V1048 | T982-Y1044 HydrophobicContact CG2-CE1 4.44Å; T982-Y1044 HydrophobicContact CG2-CE2 3.66Å; T982-Y1044 WeakPolarHBondContact CG2-OH 3.38Å; D983-Y1044 WeakPolarHBondContact OD1-CE1 3.48Å; D983-Y1044 VanDerWaalsContact OD1-CZ 3.26Å; D983-Y1044 PolarHBondContact OD1-OH 3.07Å; L986-Y1044 HydrophobicContact CD2-CD1 3.63Å; L986-Y1044 HydrophobicContact CD2-CD2 4.06Å; L986-Y1044 HydrophobicContact CD2-CE1 4.2Å; L986-Y1044 HydrophobicContact CD2-CG 3.54Å; L1037-Y1044 HydrophobicContact CD1-CD2 3.89Å; L1037-Y1044 HydrophobicContact CD1-CE2 3.89Å; V1040-Y1044 HydrophobicContact CG1-CE2 4.49Å; A1041-Y1044 PolarHBondContact O-N 3.45Å; A1041-Y1044 VanDerWaalsContact O-N 3.1Å; P1042-Y1044 PolarHBondContact O-N 2.99Å; Y1044-T1046 VanDerWaalsContact C-N 3.31Å; Y1044-T1046 PolarHBondContact O-N 3.47Å; Y1044-E1047 PolarHBondContact O-N 3.18Å; Y1044-V1048 WeakPolarHBondContact O-CG2 3.4Å; Y1044-V1048 PolarHBondContact O-N 2.83Å |
| 1045 | R | 92.5 | Very high | 89.7 | Confident | 47 Ų | 47 | 52 Ų | 52 | 18% | 0.177 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -46.4 | -52.6 | -176 | 177.5 | -173.5 | 70.4 | -142.8 | -5.2 | 112.5 | P1042 F1049 L1078 S1081 I1082 I1085 | P1042-R1045 VanDerWaalsContact O-CB 3.32Å; P1042-R1045 WeakPolarHBondContact O-CB 3.28Å; P1042-R1045 PolarHBondContact O-N 3.48Å; R1045-F1049 WeakPolarHBondContact O-CB 3.46Å; R1045-F1049 PolarHBondContact O-N 3.41Å; R1045-L1078 HydrophobicContact CB-CD1 3.73Å; R1045-L1078 HydrophobicContact CG-CD1 3.71Å; R1045-S1081 WeakPolarHBondContact CD-O 3.12Å; R1045-S1081 PolarHBondContact NE-O 2.98Å; R1045-S1081 PolarHBondContact NH1-O 2.87Å; R1045-I1082 HydrophobicContact CG-CD1 4.2Å; R1045-I1085 HydrophobicContact CG-CD1 3.8Å |
| 1046 | T | 90.8 | Very high | 89.8 | Confident | 69 Ų | 69 | 50.1 Ų | 50.1 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.6 | -43.7 | -171.6 | -42.6 | 0 | 0 | 0 | 0 | 111.9 | Y1044 N1050 | Y1044-T1046 VanDerWaalsContact C-N 3.31Å; Y1044-T1046 PolarHBondContact O-N 3.47Å; T1046-N1050 VanDerWaalsContact O-CB 3.25Å; T1046-N1050 WeakPolarHBondContact O-CB 3.23Å; T1046-N1050 PolarHBondContact O-N 3.17Å; T1046-N1050 PolarHBondContact O-ND2 3.44Å |
| 1047 | E | 91.3 | Very high | 89.9 | Confident | 97 Ų | 97 | 52.6 Ų | 52.6 | 45% | 0.453 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 178.8 | -92.4 | 173.2 | 153.1 | 0 | 0 | 112.2 | L990 Y1044 S1051 | L990-E1047 HydrophobicContact CD1-CB 4.16Å; Y1044-E1047 PolarHBondContact O-N 3.18Å; E1047-S1051 WeakPolarHBondContact O-CB 3.26Å; E1047-S1051 PolarHBondContact O-N 3.38Å; E1047-S1051 VanDerWaalsContact O-N 3.1Å; E1047-S1051 PolarHBondContact O-OG 3.3Å |
| 1048 | V | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.2 | -46.9 | 179.2 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | L986 L990 I1030 L1034 Y1044 N1050 S1051 F1052 L1074 | L986-V1048 HydrophobicContact CD2-CG2 4.42Å; L990-V1048 HydrophobicContact CD1-CG2 4.1Å; L990-V1048 HydrophobicContact CD2-CG2 4.18Å; I1030-V1048 HydrophobicContact CG2-CG1 4.29Å; L1034-V1048 HydrophobicContact CD1-CG2 3.7Å; L1034-V1048 HydrophobicContact CD2-CG1 4.32Å; L1034-V1048 HydrophobicContact CD2-CG2 4.4Å; Y1044-V1048 WeakPolarHBondContact O-CG2 3.4Å; Y1044-V1048 PolarHBondContact O-N 2.83Å; V1048-N1050 PolarHBondContact O-N 2.83Å; V1048-S1051 PolarHBondContact O-N 3Å; V1048-F1052 HydrophobicContact CG1-CD2 3.78Å; V1048-F1052 HydrophobicContact CG1-CE2 3.46Å; V1048-F1052 VanDerWaalsContact CG1-CE2 3.46Å; V1048-F1052 HydrophobicContact CG1-CZ 4.28Å; V1048-F1052 PolarHBondContact O-N 2.85Å; V1048-L1074 HydrophobicContact CG1-CD1 4.38Å; V1048-L1074 HydrophobicContact CG1-CD2 4.38Å |
| 1049 | F | 94.2 | Very high | 90 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.4 | -50.8 | 177.3 | -179.3 | -110.8 | 0 | 0 | 0 | 110.9 | R1045 S1051 F1052 V1053 I1071 L1074 I1085 E1088 I1089 L1092 | R1045-F1049 WeakPolarHBondContact O-CB 3.46Å; R1045-F1049 PolarHBondContact O-N 3.41Å; F1049-S1051 VanDerWaalsContact C-N 3.27Å; F1049-S1051 PolarHBondContact O-N 3.43Å; F1049-F1052 PolarHBondContact O-N 3.27Å; F1049-F1052 VanDerWaalsContact O-N 3.14Å; F1049-V1053 HydrophobicContact CD1-CG2 3.85Å; F1049-V1053 HydrophobicContact CD2-CG2 4.02Å; F1049-V1053 HydrophobicContact CE1-CG2 3.58Å; F1049-V1053 HydrophobicContact CE2-CG2 3.74Å; F1049-V1053 HydrophobicContact CG-CG2 4.08Å; F1049-V1053 HydrophobicContact CZ-CG2 3.52Å; F1049-V1053 WeakPolarHBondContact O-CG2 3.27Å; F1049-V1053 PolarHBondContact O-N 3.44Å; F1049-I1071 HydrophobicContact CD2-CG1 4.41Å; F1049-I1071 HydrophobicContact CD2-CG2 4.25Å; F1049-I1071 HydrophobicContact CE2-CD1 4.35Å; F1049-I1071 HydrophobicContact CE2-CG2 4.04Å; F1049-L1074 HydrophobicContact CB-CD2 4.13Å; F1049-L1074 HydrophobicContact CD2-CD2 4.44Å; F1049-I1085 HydrophobicContact CB-CD1 3.92Å; F1049-I1085 HydrophobicContact CD1-CB 4.49Å; F1049-I1085 HydrophobicContact CD1-CD1 3.83Å; F1049-I1085 HydrophobicContact CD2-CD1 3.78Å; F1049-I1085 HydrophobicContact CE1-CB 4.34Å; F1049-I1085 HydrophobicContact CE1-CD1 4.25Å; F1049-I1085 HydrophobicContact CE2-CD1 4.22Å; F1049-I1085 HydrophobicContact CG-CD1 3.56Å; F1049-I1085 HydrophobicContact CZ-CD1 4.43Å; F1049-E1088 HydrophobicContact CE1-CB 3.91Å; F1049-E1088 HydrophobicContact CZ-CB 3.89Å; F1049-I1089 HydrophobicContact CE2-CD1 4.38Å; F1049-I1089 HydrophobicContact CE2-CG1 3.6Å; F1049-I1089 HydrophobicContact CZ-CG1 3.91Å; F1049-L1092 HydrophobicContact CE2-CD1 4.12Å; F1049-L1092 HydrophobicContact CZ-CD1 3.78Å |
| 1050 | N | 92.6 | Very high | 90.2 | Very high | 89 Ų | 89 | 46.4 Ų | 46.4 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.7 | -38.7 | 179.7 | -72.6 | -12.3 | 0 | 0 | 0 | 112.7 | T1046 V1048 M1054 | T1046-N1050 VanDerWaalsContact O-CB 3.25Å; T1046-N1050 WeakPolarHBondContact O-CB 3.23Å; T1046-N1050 PolarHBondContact O-N 3.17Å; T1046-N1050 PolarHBondContact O-ND2 3.44Å; V1048-N1050 PolarHBondContact O-N 2.83Å; N1050-M1054 WeakPolarHBondContact O-CB 3.39Å; N1050-M1054 PolarHBondContact O-N 2.87Å |
| 1051 | S | 92.1 | Very high | 90.4 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.6 | -43.5 | 177.8 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | L990 E1047 V1048 F1049 M1054 G1055 | L990-S1051 WeakPolarHBondContact CD2-OG 3.46Å; E1047-S1051 WeakPolarHBondContact O-CB 3.26Å; E1047-S1051 PolarHBondContact O-N 3.38Å; E1047-S1051 VanDerWaalsContact O-N 3.1Å; E1047-S1051 PolarHBondContact O-OG 3.3Å; V1048-S1051 PolarHBondContact O-N 3Å; F1049-S1051 VanDerWaalsContact C-N 3.27Å; F1049-S1051 PolarHBondContact O-N 3.43Å; S1051-M1054 WeakPolarHBondContact O-CB 3.4Å; S1051-M1054 PolarHBondContact O-N 3.27Å; S1051-G1055 PolarHBondContact O-N 3.16Å; S1051-G1055 VanDerWaalsContact O-N 3.14Å |
| 1052 | F | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.3 | -34.6 | 176.8 | -66.6 | -35.5 | 0 | 0 | 0 | 113.5 | F993 A1027 I1030 M1031 V1048 F1049 M1054 G1055 S1056 C1067 N1070 I1071 | F993-F1052 HydrophobicContact CE1-CD1 4Å; F993-F1052 HydrophobicContact CE1-CE1 4.38Å; F993-F1052 HydrophobicContact CZ-CD1 4.32Å; A1027-F1052 HydrophobicContact CB-CE1 4.03Å; I1030-F1052 HydrophobicContact CB-CZ 4.2Å; I1030-F1052 HydrophobicContact CG2-CE2 4.47Å; I1030-F1052 HydrophobicContact CG2-CZ 3.84Å; M1031-F1052 HydrophobicContact SD-CE2 4.24Å; V1048-F1052 HydrophobicContact CG1-CD2 3.78Å; V1048-F1052 HydrophobicContact CG1-CE2 3.46Å; V1048-F1052 VanDerWaalsContact CG1-CE2 3.46Å; V1048-F1052 HydrophobicContact CG1-CZ 4.28Å; V1048-F1052 PolarHBondContact O-N 2.85Å; F1049-F1052 PolarHBondContact O-N 3.27Å; F1049-F1052 VanDerWaalsContact O-N 3.14Å; F1052-M1054 PolarHBondContact O-N 3.09Å; F1052-G1055 CarbonylContact O-C 3.54Å; F1052-G1055 PolarHBondContact O-N 3.36Å; F1052-G1055 VanDerWaalsContact O-N 3.13Å; F1052-S1056 PolarHBondContact O-N 3.31Å; F1052-C1067 HydrophobicContact CB-CB 4.29Å; F1052-C1067 WeakPolarHBondContact O-CB 3.46Å; F1052-N1070 HydrophobicContact CD2-CB 3.96Å; F1052-N1070 HydrophobicContact CE1-CB 4.28Å; F1052-N1070 HydrophobicContact CE2-CB 3.64Å; F1052-N1070 HydrophobicContact CG-CB 4.42Å; F1052-N1070 HydrophobicContact CZ-CB 3.81Å; F1052-I1071 HydrophobicContact CB-CD1 3.94Å; F1052-I1071 HydrophobicContact CB-CG1 3.71Å; F1052-I1071 HydrophobicContact CD2-CG1 4.34Å; F1052-I1071 HydrophobicContact CG-CG1 4.47Å |
| 1053 | V | 92.3 | Very high | 90.3 | Very high | 27 Ų | 27 | 48.4 Ų | 48.4 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.2 | -36.9 | 170.2 | 176 | 0 | 0 | 0 | 0 | 110.8 | F1049 S1056 I1071 L1092 | F1049-V1053 HydrophobicContact CD1-CG2 3.85Å; F1049-V1053 HydrophobicContact CD2-CG2 4.02Å; F1049-V1053 HydrophobicContact CE1-CG2 3.58Å; F1049-V1053 HydrophobicContact CE2-CG2 3.74Å; F1049-V1053 HydrophobicContact CG-CG2 4.08Å; F1049-V1053 HydrophobicContact CZ-CG2 3.52Å; F1049-V1053 WeakPolarHBondContact O-CG2 3.27Å; F1049-V1053 PolarHBondContact O-N 3.44Å; V1053-S1056 PolarHBondContact O-N 3.35Å; V1053-S1056 PolarHBondContact O-OG 3.42Å; V1053-I1071 HydrophobicContact CG2-CD1 4.48Å; V1053-L1092 HydrophobicContact CB-CD1 4.35Å; V1053-L1092 HydrophobicContact CG1-CD1 4.15Å; V1053-L1092 HydrophobicContact CG2-CD1 3.51Å |
| 1054 | M | 90.4 | Very high | 90.4 | Very high | 74 Ų | 74 | 43.6 Ų | 43.6 | 37% | 0.365 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.5 | -40.4 | 175.1 | -164.7 | 167.6 | -66.5 | 0 | 0 | 111.6 | T994 Q998 N1050 S1051 F1052 K1057 | T994-M1054 HydrophobicContact CG2-CE 4.46Å; T994-M1054 HydrophobicContact CG2-SD 3.61Å; Q998-M1054 HydrophobicContact CG-SD 3.77Å; Q998-M1054 PolarHBondContact NE2-SD 3Å; N1050-M1054 WeakPolarHBondContact O-CB 3.39Å; N1050-M1054 PolarHBondContact O-N 2.87Å; S1051-M1054 WeakPolarHBondContact O-CB 3.4Å; S1051-M1054 PolarHBondContact O-N 3.27Å; F1052-M1054 PolarHBondContact O-N 3.09Å; M1054-K1057 PolarHBondContact O-N 3.5Å |
| 1055 | G | 88.5 | Confident | 90.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.2 | -27.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1051 F1052 K1057 S1058 C1067 | S1051-G1055 PolarHBondContact O-N 3.16Å; S1051-G1055 VanDerWaalsContact O-N 3.14Å; F1052-G1055 CarbonylContact O-C 3.54Å; F1052-G1055 PolarHBondContact O-N 3.36Å; F1052-G1055 VanDerWaalsContact O-N 3.13Å; G1055-K1057 PolarHBondContact O-N 3.23Å; G1055-K1057 VanDerWaalsContact O-N 3.13Å; G1055-S1058 VanDerWaalsContact O-CB 3.24Å; G1055-S1058 WeakPolarHBondContact O-CB 3.27Å; G1055-S1058 PolarHBondContact O-N 3.38Å; G1055-C1067 VanDerWaalsContact CA-SG 3.59Å |
| 1056 | S | 90.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12.8 | 173.4 | 89.2 | 0 | 0 | 0 | 0 | 112.7 | F1052 V1053 R1064 L1092 H1096 | F1052-S1056 PolarHBondContact O-N 3.31Å; V1053-S1056 PolarHBondContact O-N 3.35Å; V1053-S1056 PolarHBondContact O-OG 3.42Å; S1056-R1064 WeakPolarHBondContact O-CD 3.45Å; S1056-R1064 WeakPolarHBondContact O-CG 3.35Å; S1056-L1092 WeakPolarHBondContact OG-CD2 3.45Å; S1056-H1096 PolarHBondContact O-CE1 3.42Å; S1056-H1096 PolarHBondContact O-NE2 3.48Å; S1056-H1096 PolarHBondContact OG-NE2 3.09Å |
| 1057 | K | 89.2 | Confident | 90.4 | Very high | 148 Ų | 148 | 39.1 Ų | 39.1 | 64% | 0.643 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 14.4 | 174.5 | -59.3 | 177.7 | -175.8 | 180 | 0 | 113 | M1054 G1055 | M1054-K1057 PolarHBondContact O-N 3.5Å; G1055-K1057 PolarHBondContact O-N 3.23Å; G1055-K1057 VanDerWaalsContact O-N 3.13Å |
| 1058 | S | 87.6 | Confident | 90.6 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | trans | -65.3 | 148.7 | 177.6 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | N1001 G1055 D1060 R1064 | N1001-S1058 WeakPolarHBondContact OD1-CA 3.44Å; G1055-S1058 VanDerWaalsContact O-CB 3.24Å; G1055-S1058 WeakPolarHBondContact O-CB 3.27Å; G1055-S1058 PolarHBondContact O-N 3.38Å; S1058-D1060 PolarHBondContact O-N 2.58Å; S1058-D1060 PolarHBondContact OG-N 3.36Å; S1058-R1064 VanDerWaalsContact O-CD 3.25Å; S1058-R1064 WeakPolarHBondContact O-CD 3.35Å; S1058-R1064 VanDerWaalsContact O-CG 3.31Å; S1058-R1064 WeakPolarHBondContact O-CG 3.39Å; S1058-R1064 PolarHBondContact O-NH1 3.3Å | ||
| 1059 | S | 83 | Confident | 90.7 | Very high | 90 Ų | 90 | 36.6 Ų | 36.6 | 63% | 0.629 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -60 | -30.3 | 169 | 47.5 | 0 | 0 | 0 | 0 | 112.6 | N1001 R1064 | N1001-S1059 PolarHBondContact OD1-N 3.39Å; S1059-R1064 PolarHBondContact O-NH1 2.98Å |
| 1060 | D | 85 | Confident | 90.6 | Very high | 39 Ų | 39 | 37 Ų | 37 | 21% | 0.209 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -86 | 130.8 | -178.6 | -167.6 | -76.7 | 0 | 0 | 0 | 112.9 | I1020 S1058 L1062 I1063 R1064 | I1020-D1060 WeakPolarHBondContact CD1-OD2 3.43Å; S1058-D1060 PolarHBondContact O-N 2.58Å; S1058-D1060 PolarHBondContact OG-N 3.36Å; D1060-L1062 WeakPolarHBondContact OD1-CB 3.47Å; D1060-L1062 PolarHBondContact OD1-N 2.92Å; D1060-I1063 HydrophobicContact CB-CB 4.31Å; D1060-I1063 HydrophobicContact CB-CD1 3.81Å; D1060-I1063 HydrophobicContact CB-CG1 3.97Å; D1060-I1063 PolarHBondContact OD1-N 3.38Å; D1060-R1064 WeakPolarHBondContact O-CG 3.24Å; D1060-R1064 PolarHBondContact O-N 2.94Å; D1060-R1064 PolarHBondContact O-NH1 3.28Å |
| 1061 | E | 90.4 | Very high | 90.7 | Very high | 87 Ų | 87 | 32.8 Ų | 32.8 | 41% | 0.407 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.7 | -34.2 | -177.6 | 62.3 | 175.9 | -170.3 | 0 | 0 | 114.4 | I1063 R1064 A1065 S1102 V1105 | E1061-I1063 VanDerWaalsContact C-N 3.35Å; E1061-R1064 PolarHBondContact O-N 3.47Å; E1061-A1065 WeakPolarHBondContact O-CB 2.75Å; E1061-A1065 PolarHBondContact O-N 3.46Å; E1061-S1102 WeakPolarHBondContact OE2-CB 3.26Å; E1061-S1102 PolarHBondContact OE2-OG 3.1Å; E1061-V1105 HydrophobicContact CB-CG2 4.01Å; E1061-V1105 VanDerWaalsContact O-CG2 3.23Å; E1061-V1105 WeakPolarHBondContact O-CG2 3.45Å |
| 1062 | L | 87.8 | Confident | 90.8 | Very high | 79 Ų | 79 | 32.2 Ų | 32.2 | 41% | 0.414 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -69.6 | -38.3 | -179.1 | -62 | 177.8 | 0 | 0 | 0 | 110.4 | I1020 L1024 D1060 A1065 A1066 | I1020-L1062 HydrophobicContact CG2-CB 4.32Å; I1020-L1062 HydrophobicContact CG2-CD1 4.36Å; L1024-L1062 HydrophobicContact CD1-CB 4.49Å; D1060-L1062 WeakPolarHBondContact OD1-CB 3.47Å; D1060-L1062 PolarHBondContact OD1-N 2.92Å; L1062-A1065 PolarHBondContact O-N 3.41Å; L1062-A1066 VanDerWaalsContact O-CB 3.27Å; L1062-A1066 WeakPolarHBondContact O-CB 3.26Å; L1062-A1066 PolarHBondContact O-N 3.33Å |
| 1063 | I | 88.5 | Confident | 90.7 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.015 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.8 | -46 | 174.9 | -58.3 | 177.7 | 0 | 0 | 0 | 110.1 | I1020 K1023 D1060 E1061 A1065 A1066 C1067 | I1020-I1063 HydrophobicContact CG1-CD1 4.5Å; I1020-I1063 HydrophobicContact CG2-CG1 4.18Å; K1023-I1063 HydrophobicContact CB-CD1 4.45Å; K1023-I1063 HydrophobicContact CD-CD1 3.45Å; K1023-I1063 VanDerWaalsContact CD-CD1 3.45Å; K1023-I1063 HydrophobicContact CD-CG1 4.46Å; D1060-I1063 HydrophobicContact CB-CB 4.31Å; D1060-I1063 HydrophobicContact CB-CD1 3.81Å; D1060-I1063 HydrophobicContact CB-CG1 3.97Å; D1060-I1063 PolarHBondContact OD1-N 3.38Å; E1061-I1063 VanDerWaalsContact C-N 3.35Å; I1063-A1065 PolarHBondContact O-N 2.87Å; I1063-A1066 PolarHBondContact O-N 3.46Å; I1063-C1067 PolarHBondContact O-N 3.13Å; I1063-C1067 PolarHBondContact O-SG 3.4Å |
| 1064 | R | 93 | Very high | 90.7 | Very high | 33 Ų | 33 | 33.5 Ų | 33.5 | 13% | 0.125 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.3 | -47.9 | 176.7 | -67.5 | -160.3 | -60.4 | -74.7 | 0.4 | 111.5 | S1056 S1058 S1059 D1060 E1061 C1067 L1068 D1100 V1105 | S1056-R1064 WeakPolarHBondContact O-CD 3.45Å; S1056-R1064 WeakPolarHBondContact O-CG 3.35Å; S1058-R1064 VanDerWaalsContact O-CD 3.25Å; S1058-R1064 WeakPolarHBondContact O-CD 3.35Å; S1058-R1064 VanDerWaalsContact O-CG 3.31Å; S1058-R1064 WeakPolarHBondContact O-CG 3.39Å; S1058-R1064 PolarHBondContact O-NH1 3.3Å; S1059-R1064 PolarHBondContact O-NH1 2.98Å; D1060-R1064 WeakPolarHBondContact O-CG 3.24Å; D1060-R1064 PolarHBondContact O-N 2.94Å; D1060-R1064 PolarHBondContact O-NH1 3.28Å; E1061-R1064 PolarHBondContact O-N 3.47Å; R1064-C1067 PolarHBondContact O-N 3.44Å; R1064-L1068 WeakPolarHBondContact O-CG 3.34Å; R1064-L1068 PolarHBondContact O-N 2.89Å; R1064-L1068 VanDerWaalsContact O-N 3.1Å; R1064-D1100 IonicContact CZ-OD1 2.75Å; R1064-D1100 IonicContact CZ-OD2 2.98Å; R1064-D1100 IonicContact NE-OD1 3.24Å; R1064-D1100 IonicContact NE-OD2 3.01Å; R1064-D1100 PolarHBondContact NE-OD2 3.03Å; R1064-D1100 IonicContact NH2-OD1 3.84Å; R1064-D1100 PolarHBondContact NH2-OD1 3.25Å; R1064-D1100 IonicContact NH2-OD2 3.74Å; R1064-V1105 HydrophobicContact CB-CG1 3.95Å; R1064-V1105 HydrophobicContact CB-CG2 3.81Å |
| 1065 | A | 91.2 | Very high | 90.7 | Very high | 7 Ų | 7 | 30 Ų | 30 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -40.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1061 L1062 I1063 L1068 S1069 V1104 V1105 A1108 | E1061-A1065 WeakPolarHBondContact O-CB 2.75Å; E1061-A1065 PolarHBondContact O-N 3.46Å; L1062-A1065 PolarHBondContact O-N 3.41Å; I1063-A1065 PolarHBondContact O-N 2.87Å; A1065-L1068 PolarHBondContact O-N 3Å; A1065-S1069 WeakPolarHBondContact O-CB 3.41Å; A1065-S1069 PolarHBondContact O-N 3.43Å; A1065-S1069 PolarHBondContact O-OG 2.88Å; A1065-V1104 HydrophobicContact CB-CG1 3.9Å; A1065-V1105 HydrophobicContact CB-CG2 4.16Å; A1065-A1108 HydrophobicContact CB-CB 4.01Å; A1065-A1108 WeakPolarHBondContact O-CB 3.38Å |
| 1066 | A | 90.1 | Very high | 90.8 | Very high | 23 Ų | 23 | 32.4 Ų | 32.4 | 19% | 0.19 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1024 L1062 I1063 S1069 N1070 | L1024-A1066 HydrophobicContact CD2-CB 3.29Å; L1062-A1066 VanDerWaalsContact O-CB 3.27Å; L1062-A1066 WeakPolarHBondContact O-CB 3.26Å; L1062-A1066 PolarHBondContact O-N 3.33Å; I1063-A1066 PolarHBondContact O-N 3.46Å; A1066-S1069 PolarHBondContact O-N 2.88Å; A1066-N1070 WeakPolarHBondContact O-CB 3.43Å; A1066-N1070 PolarHBondContact O-N 3.22Å; A1066-N1070 PolarHBondContact O-ND2 3.16Å |
| 1067 | C | 94.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.1 | -45 | 174.5 | -77.5 | 0 | 0 | 0 | 0 | 112.4 | F1052 G1055 I1063 R1064 S1069 N1070 I1071 | F1052-C1067 HydrophobicContact CB-CB 4.29Å; F1052-C1067 WeakPolarHBondContact O-CB 3.46Å; G1055-C1067 VanDerWaalsContact CA-SG 3.59Å; I1063-C1067 PolarHBondContact O-N 3.13Å; I1063-C1067 PolarHBondContact O-SG 3.4Å; R1064-C1067 PolarHBondContact O-N 3.44Å; C1067-S1069 VanDerWaalsContact C-N 3.32Å; C1067-S1069 PolarHBondContact O-N 3.18Å; C1067-N1070 PolarHBondContact O-N 3.49Å; C1067-I1071 VanDerWaalsContact O-CG1 3.26Å; C1067-I1071 WeakPolarHBondContact O-CG1 3.4Å; C1067-I1071 PolarHBondContact O-N 3Å |
| 1068 | L | 95.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 175.9 | -70.9 | 171.7 | 0 | 0 | 0 | 112.1 | R1064 A1065 I1071 A1072 L1092 H1096 V1105 A1108 L1112 | R1064-L1068 WeakPolarHBondContact O-CG 3.34Å; R1064-L1068 PolarHBondContact O-N 2.89Å; R1064-L1068 VanDerWaalsContact O-N 3.1Å; A1065-L1068 PolarHBondContact O-N 3Å; L1068-I1071 PolarHBondContact O-N 3.08Å; L1068-A1072 PolarHBondContact O-N 3.49Å; L1068-L1092 HydrophobicContact CD2-CD2 3.61Å; L1068-H1096 HydrophobicContact CD1-CB 3.92Å; L1068-V1105 HydrophobicContact CD1-CG1 3.55Å; L1068-A1108 HydrophobicContact CB-CB 3.91Å; L1068-A1108 HydrophobicContact CD1-CB 4.29Å; L1068-L1112 HydrophobicContact CD2-CD2 4.03Å |
| 1069 | S | 93.9 | Very high | 90.6 | Very high | 43 Ų | 43 | 31.1 Ų | 31.1 | 30% | 0.301 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67.3 | -37.8 | 177.3 | -57 | 0 | 0 | 0 | 0 | 112.2 | A1065 A1066 C1067 A1072 E1073 | A1065-S1069 WeakPolarHBondContact O-CB 3.41Å; A1065-S1069 PolarHBondContact O-N 3.43Å; A1065-S1069 PolarHBondContact O-OG 2.88Å; A1066-S1069 PolarHBondContact O-N 2.88Å; C1067-S1069 VanDerWaalsContact C-N 3.32Å; C1067-S1069 PolarHBondContact O-N 3.18Å; S1069-A1072 VanDerWaalsContact O-CB 3.26Å; S1069-A1072 WeakPolarHBondContact O-CB 3.33Å; S1069-A1072 PolarHBondContact O-N 3.37Å; S1069-E1073 PolarHBondContact O-N 2.95Å; S1069-E1073 VanDerWaalsContact O-N 3.07Å |
| 1070 | N | 92.8 | Very high | 90.8 | Very high | 16 Ų | 16 | 34 Ų | 34 | 9% | 0.086 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.6 | -35.1 | 174.3 | -74.2 | -26 | 0 | 0 | 0 | 112.3 | A1027 F1052 A1066 C1067 A1072 E1073 L1074 | A1027-N1070 WeakPolarHBondContact CB-ND2 3.44Å; F1052-N1070 HydrophobicContact CD2-CB 3.96Å; F1052-N1070 HydrophobicContact CE1-CB 4.28Å; F1052-N1070 HydrophobicContact CE2-CB 3.64Å; F1052-N1070 HydrophobicContact CG-CB 4.42Å; F1052-N1070 HydrophobicContact CZ-CB 3.81Å; A1066-N1070 WeakPolarHBondContact O-CB 3.43Å; A1066-N1070 PolarHBondContact O-N 3.22Å; A1066-N1070 PolarHBondContact O-ND2 3.16Å; C1067-N1070 PolarHBondContact O-N 3.49Å; N1070-A1072 VanDerWaalsContact C-N 3.25Å; N1070-A1072 PolarHBondContact O-N 3.13Å; N1070-E1073 PolarHBondContact O-N 2.88Å; N1070-L1074 WeakPolarHBondContact O-CB 3.37Å; N1070-L1074 PolarHBondContact O-N 3.06Å |
| 1071 | I | 95.2 | Very high | 91 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -38.1 | 169.7 | -65.9 | 165.8 | 0 | 0 | 0 | 109.7 | F1049 F1052 V1053 C1067 L1068 E1073 L1074 V1075 I1089 L1092 L1112 | F1049-I1071 HydrophobicContact CD2-CG1 4.41Å; F1049-I1071 HydrophobicContact CD2-CG2 4.25Å; F1049-I1071 HydrophobicContact CE2-CD1 4.35Å; F1049-I1071 HydrophobicContact CE2-CG2 4.04Å; F1052-I1071 HydrophobicContact CB-CD1 3.94Å; F1052-I1071 HydrophobicContact CB-CG1 3.71Å; F1052-I1071 HydrophobicContact CD2-CG1 4.34Å; F1052-I1071 HydrophobicContact CG-CG1 4.47Å; V1053-I1071 HydrophobicContact CG2-CD1 4.48Å; C1067-I1071 VanDerWaalsContact O-CG1 3.26Å; C1067-I1071 WeakPolarHBondContact O-CG1 3.4Å; C1067-I1071 PolarHBondContact O-N 3Å; L1068-I1071 PolarHBondContact O-N 3.08Å; I1071-E1073 VanDerWaalsContact C-N 3.33Å; I1071-E1073 PolarHBondContact O-N 3.35Å; I1071-L1074 WeakPolarHBondContact O-CB 3.43Å; I1071-L1074 PolarHBondContact O-N 3.32Å; I1071-V1075 WeakPolarHBondContact O-CG2 3.18Å; I1071-V1075 PolarHBondContact O-N 2.9Å; I1071-I1089 HydrophobicContact CG2-CG1 4.47Å; I1071-L1092 HydrophobicContact CD1-CD2 4.26Å; I1071-L1112 HydrophobicContact CB-CD1 4.33Å; I1071-L1112 HydrophobicContact CB-CD2 4.38Å; I1071-L1112 HydrophobicContact CG2-CD1 3.73Å; I1071-L1112 HydrophobicContact CG2-CD2 3.95Å |
| 1072 | A | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1068 S1069 N1070 V1075 R1076 Y1111 L1112 | L1068-A1072 PolarHBondContact O-N 3.49Å; S1069-A1072 VanDerWaalsContact O-CB 3.26Å; S1069-A1072 WeakPolarHBondContact O-CB 3.33Å; S1069-A1072 PolarHBondContact O-N 3.37Å; N1070-A1072 VanDerWaalsContact C-N 3.25Å; N1070-A1072 PolarHBondContact O-N 3.13Å; A1072-V1075 PolarHBondContact O-N 2.94Å; A1072-R1076 PolarHBondContact O-N 3.28Å; A1072-R1076 VanDerWaalsContact O-N 3.13Å; A1072-Y1111 HydrophobicContact CB-CD1 3.72Å; A1072-Y1111 HydrophobicContact CB-CE1 3.66Å; A1072-L1112 VanDerWaalsContact CA-CD1 3.49Å; A1072-L1112 HydrophobicContact CB-CB 4.06Å; A1072-L1112 HydrophobicContact CB-CD1 3.91Å |
| 1073 | E | 91.1 | Very high | 91 | Very high | 54 Ų | 54 | 30.7 Ų | 30.7 | 25% | 0.252 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -69.5 | -36.3 | 175.2 | -161.9 | 58.9 | -160.3 | 0 | 0 | 112.2 | M1031 S1069 N1070 I1071 V1075 R1076 L1077 | M1031-E1073 HydrophobicContact CE-CB 4.11Å; M1031-E1073 HydrophobicContact CE-CG 4.07Å; M1031-E1073 HydrophobicContact CG-CB 4.19Å; M1031-E1073 HydrophobicContact CG-CG 4.27Å; M1031-E1073 HydrophobicContact SD-CB 4.4Å; S1069-E1073 PolarHBondContact O-N 2.95Å; S1069-E1073 VanDerWaalsContact O-N 3.07Å; N1070-E1073 PolarHBondContact O-N 2.88Å; I1071-E1073 VanDerWaalsContact C-N 3.33Å; I1071-E1073 PolarHBondContact O-N 3.35Å; E1073-V1075 VanDerWaalsContact C-N 3.29Å; E1073-V1075 PolarHBondContact O-N 3.31Å; E1073-R1076 PolarHBondContact O-N 2.9Å; E1073-R1076 IonicContact OE1-CZ 2.82Å; E1073-R1076 IonicContact OE1-NE 3.39Å; E1073-R1076 PolarHBondContact OE1-NE 3.45Å; E1073-R1076 IonicContact OE1-NH2 2.91Å; E1073-R1076 PolarHBondContact OE1-NH2 3.07Å; E1073-R1076 IonicContact OE2-CZ 2.89Å; E1073-R1076 IonicContact OE2-NE 3.89Å; E1073-R1076 PolarHBondContact OE2-NE 3.22Å; E1073-R1076 IonicContact OE2-NH2 2.69Å; E1073-L1077 WeakPolarHBondContact O-CB 3.41Å; E1073-L1077 PolarHBondContact O-N 2.91Å |
| 1074 | L | 92.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.7 | -41.6 | 171.8 | -177.1 | 68.8 | 0 | 0 | 0 | 111.6 | M1031 L1034 V1048 F1049 N1070 I1071 L1077 L1078 I1082 | M1031-L1074 HydrophobicContact CE-CB 4.2Å; M1031-L1074 HydrophobicContact CE-CD1 4.44Å; M1031-L1074 HydrophobicContact SD-CB 4.33Å; L1034-L1074 HydrophobicContact CD2-CD1 3.2Å; V1048-L1074 HydrophobicContact CG1-CD1 4.38Å; V1048-L1074 HydrophobicContact CG1-CD2 4.38Å; F1049-L1074 HydrophobicContact CB-CD2 4.13Å; F1049-L1074 HydrophobicContact CD2-CD2 4.44Å; N1070-L1074 WeakPolarHBondContact O-CB 3.37Å; N1070-L1074 PolarHBondContact O-N 3.06Å; I1071-L1074 WeakPolarHBondContact O-CB 3.43Å; I1071-L1074 PolarHBondContact O-N 3.32Å; L1074-L1077 PolarHBondContact O-N 3.39Å; L1074-L1078 HydrophobicContact CD1-CD1 3.49Å; L1074-L1078 VanDerWaalsContact CD1-CD1 3.49Å; L1074-L1078 HydrophobicContact CD1-CG 3.99Å; L1074-L1078 HydrophobicContact CG-CD1 3.95Å; L1074-L1078 HydrophobicContact CG-CG 4.5Å; L1074-L1078 WeakPolarHBondContact O-CB 3.3Å; L1074-L1078 WeakPolarHBondContact O-CG 3.33Å; L1074-L1078 PolarHBondContact O-N 3.13Å; L1074-I1082 HydrophobicContact CG-CD1 4.49Å |
| 1075 | V | 92.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -48.8 | 176.2 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | I1071 A1072 E1073 L1077 L1078 K1079 I1082 I1089 L1112 L1116 W1129 | I1071-V1075 WeakPolarHBondContact O-CG2 3.18Å; I1071-V1075 PolarHBondContact O-N 2.9Å; A1072-V1075 PolarHBondContact O-N 2.94Å; E1073-V1075 VanDerWaalsContact C-N 3.29Å; E1073-V1075 PolarHBondContact O-N 3.31Å; V1075-L1077 VanDerWaalsContact C-N 3.29Å; V1075-L1077 PolarHBondContact O-N 3.29Å; V1075-L1078 PolarHBondContact O-N 3.41Å; V1075-K1079 PolarHBondContact O-N 3.2Å; V1075-I1082 HydrophobicContact CG2-CG1 4.4Å; V1075-I1082 HydrophobicContact CG2-CG2 4.42Å; V1075-I1089 HydrophobicContact CG2-CD1 3.78Å; V1075-L1112 HydrophobicContact CG2-CD1 4.05Å; V1075-L1116 HydrophobicContact CG1-CD2 3.57Å; V1075-L1116 HydrophobicContact CG1-CG 4.15Å; V1075-W1129 HydrophobicContact CG1-CH2 3.98Å; V1075-W1129 HydrophobicContact CG1-CZ3 4.49Å |
| 1076 | R | 89.3 | Confident | 91.2 | Very high | 49 Ų | 49 | 33.1 Ų | 33.1 | 19% | 0.185 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.2 | -41.3 | 176.6 | -91.8 | 173.8 | 32.6 | 59.7 | 13.8 | 112.5 | A1072 E1073 K1079 E1120 | A1072-R1076 PolarHBondContact O-N 3.28Å; A1072-R1076 VanDerWaalsContact O-N 3.13Å; E1073-R1076 PolarHBondContact O-N 2.9Å; E1073-R1076 IonicContact OE1-CZ 2.82Å; E1073-R1076 IonicContact OE1-NE 3.39Å; E1073-R1076 PolarHBondContact OE1-NE 3.45Å; E1073-R1076 IonicContact OE1-NH2 2.91Å; E1073-R1076 PolarHBondContact OE1-NH2 3.07Å; E1073-R1076 IonicContact OE2-CZ 2.89Å; E1073-R1076 IonicContact OE2-NE 3.89Å; E1073-R1076 PolarHBondContact OE2-NE 3.22Å; E1073-R1076 IonicContact OE2-NH2 2.69Å; R1076-K1079 WeakPolarHBondContact O-CE 3.25Å; R1076-K1079 WeakPolarHBondContact O-CG 3.46Å; R1076-E1120 IonicContact CZ-OE1 2.72Å; R1076-E1120 IonicContact NH1-OE1 3.12Å; R1076-E1120 PolarHBondContact NH1-OE1 3.39Å; R1076-E1120 IonicContact NH2-OE1 2.89Å; R1076-E1120 PolarHBondContact NH2-OE1 3.13Å |
| 1077 | L | 89.2 | Confident | 91.4 | Very high | 49 Ų | 49 | 37.3 Ų | 37.3 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.5 | -46.5 | -179 | -166.2 | 93.9 | 0 | 0 | 0 | 112.1 | L1034 A1041 E1073 L1074 V1075 | L1034-L1077 HydrophobicContact CD2-CD2 4.07Å; L1034-L1077 HydrophobicContact CG-CD2 4.3Å; A1041-L1077 HydrophobicContact CB-CD2 3.46Å; A1041-L1077 VanDerWaalsContact CB-CD2 3.46Å; E1073-L1077 WeakPolarHBondContact O-CB 3.41Å; E1073-L1077 PolarHBondContact O-N 2.91Å; L1074-L1077 PolarHBondContact O-N 3.39Å; V1075-L1077 VanDerWaalsContact C-N 3.29Å; V1075-L1077 PolarHBondContact O-N 3.29Å |
| 1078 | L | 89 | Confident | 91.4 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -92.7 | -24.8 | -166.1 | -69.5 | -171.6 | 0 | 0 | 0 | 114.5 | A1041 P1042 R1045 L1074 V1075 Y1080 S1081 I1082 | A1041-L1078 HydrophobicContact CB-CD2 3.67Å; P1042-L1078 HydrophobicContact CB-CD2 4.33Å; P1042-L1078 HydrophobicContact CG-CD2 3.86Å; R1045-L1078 HydrophobicContact CB-CD1 3.73Å; R1045-L1078 HydrophobicContact CG-CD1 3.71Å; L1074-L1078 HydrophobicContact CD1-CD1 3.49Å; L1074-L1078 VanDerWaalsContact CD1-CD1 3.49Å; L1074-L1078 HydrophobicContact CD1-CG 3.99Å; L1074-L1078 HydrophobicContact CG-CD1 3.95Å; L1074-L1078 HydrophobicContact CG-CG 4.5Å; L1074-L1078 WeakPolarHBondContact O-CB 3.3Å; L1074-L1078 WeakPolarHBondContact O-CG 3.33Å; L1074-L1078 PolarHBondContact O-N 3.13Å; V1075-L1078 PolarHBondContact O-N 3.41Å; L1078-Y1080 PolarHBondContact O-N 3.42Å; L1078-Y1080 VanDerWaalsContact O-N 3.1Å; L1078-S1081 WeakPolarHBondContact O-CB 3.35Å; L1078-S1081 PolarHBondContact O-N 3.02Å; L1078-I1082 HydrophobicContact CB-CD1 3.44Å; L1078-I1082 VanDerWaalsContact CB-CD1 3.44Å; L1078-I1082 HydrophobicContact CB-CG1 3.72Å; L1078-I1082 HydrophobicContact CD1-CD1 3.55Å; L1078-I1082 HydrophobicContact CG-CD1 4.07Å |
| 1079 | K | 86.3 | Confident | 91.4 | Very high | 68 Ų | 68 | 41.6 Ų | 41.6 | 30% | 0.296 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | 47.1 | -111.6 | 175.8 | -58.2 | 176.5 | -174.6 | 166.5 | 0 | 112.5 | V1075 R1076 S1081 I1082 E1120 | V1075-K1079 PolarHBondContact O-N 3.2Å; R1076-K1079 WeakPolarHBondContact O-CE 3.25Å; R1076-K1079 WeakPolarHBondContact O-CG 3.46Å; K1079-S1081 PolarHBondContact O-N 3.37Å; K1079-I1082 WeakPolarHBondContact O-CB 3.37Å; K1079-I1082 PolarHBondContact O-N 3.28Å; K1079-E1120 IonicContact NZ-OE2 3.97Å; K1079-E1120 PolarHBondContact NZ-OE2 3.13Å |
| 1080 | Y | 87.4 | Confident | 91.4 | Very high | 150 Ų | 150 | 40.9 Ų | 40.9 | 59% | 0.588 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -52.4 | -32.3 | 177.5 | -71.5 | -87.3 | 0 | 0 | 0 | 113.6 | L1078 I1082 Q1083 W1129 | L1078-Y1080 PolarHBondContact O-N 3.42Å; L1078-Y1080 VanDerWaalsContact O-N 3.1Å; Y1080-I1082 PolarHBondContact O-N 2.8Å; Y1080-Q1083 WeakPolarHBondContact O-CB 3.4Å; Y1080-Q1083 PolarHBondContact O-N 3.01Å; Y1080-W1129 HydrophobicContact CD1-CB 3.56Å; Y1080-W1129 AromaticContact CD1-CD1 3.9Å; Y1080-W1129 HydrophobicContact CD1-CG 4.07Å; Y1080-W1129 AromaticContact CD2-CD1 3.95Å; Y1080-W1129 HydrophobicContact CE1-CB 3.93Å; Y1080-W1129 AromaticContact CE1-CD1 3.84Å; Y1080-W1129 HydrophobicContact CE1-CG 4.3Å; Y1080-W1129 AromaticContact CE2-CD1 3.9Å; Y1080-W1129 HydrophobicContact CG-CB 4.1Å; Y1080-W1129 AromaticContact CG-CD1 3.93Å; Y1080-W1129 HydrophobicContact CG-CG 4.23Å; Y1080-W1129 AromaticContact CZ-CD1 3.83Å |
| 1081 | S | 88.8 | Confident | 91.5 | Very high | 34 Ų | 34 | 45 Ų | 45 | 24% | 0.238 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -70.9 | -11.4 | 179.1 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | P1042 R1045 L1078 K1079 P1084 | P1042-S1081 WeakPolarHBondContact CB-OG 3.43Å; P1042-S1081 VanDerWaalsContact CG-OG 3.3Å; P1042-S1081 WeakPolarHBondContact CG-OG 3.49Å; R1045-S1081 WeakPolarHBondContact CD-O 3.12Å; R1045-S1081 PolarHBondContact NE-O 2.98Å; R1045-S1081 PolarHBondContact NH1-O 2.87Å; L1078-S1081 WeakPolarHBondContact O-CB 3.35Å; L1078-S1081 PolarHBondContact O-N 3.02Å; K1079-S1081 PolarHBondContact O-N 3.37Å; S1081-P1084 WeakPolarHBondContact O-CD 3.04Å |
| 1082 | I | 89.8 | Confident | 91.6 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -78.4 | -20.8 | 175.2 | -69.5 | -41.5 | 0 | 0 | 0 | 113.6 | R1045 L1074 V1075 L1078 K1079 Y1080 P1084 I1085 V1086 I1089 | R1045-I1082 HydrophobicContact CG-CD1 4.2Å; L1074-I1082 HydrophobicContact CG-CD1 4.49Å; V1075-I1082 HydrophobicContact CG2-CG1 4.4Å; V1075-I1082 HydrophobicContact CG2-CG2 4.42Å; L1078-I1082 HydrophobicContact CB-CD1 3.44Å; L1078-I1082 VanDerWaalsContact CB-CD1 3.44Å; L1078-I1082 HydrophobicContact CB-CG1 3.72Å; L1078-I1082 HydrophobicContact CD1-CD1 3.55Å; L1078-I1082 HydrophobicContact CG-CD1 4.07Å; K1079-I1082 WeakPolarHBondContact O-CB 3.37Å; K1079-I1082 PolarHBondContact O-N 3.28Å; Y1080-I1082 PolarHBondContact O-N 2.8Å; I1082-P1084 VanDerWaalsContact C-N 3.27Å; I1082-P1084 WeakPolarHBondContact O-CD 3.39Å; I1082-I1085 HydrophobicContact CD1-CD1 4.24Å; I1082-I1085 HydrophobicContact CG2-CG1 4.26Å; I1082-I1085 VanDerWaalsContact O-CG1 3.28Å; I1082-I1085 WeakPolarHBondContact O-CG1 3.17Å; I1082-I1085 PolarHBondContact O-N 2.81Å; I1082-V1086 HydrophobicContact CG2-CB 4.46Å; I1082-V1086 HydrophobicContact CG2-CG2 4.45Å; I1082-V1086 PolarHBondContact O-N 3.32Å; I1082-I1089 HydrophobicContact CG2-CD1 3.29Å |
| 1083 | Q | 87.8 | Confident | 91.8 | Very high | 101 Ų | 101 | 45.7 Ų | 45.7 | 47% | 0.472 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -46.2 | -40.3 | -171.9 | -167.9 | 174.4 | 7.4 | 0 | 0 | 115 | Y1080 I1085 V1086 | Y1080-Q1083 WeakPolarHBondContact O-CB 3.4Å; Y1080-Q1083 PolarHBondContact O-N 3.01Å; Q1083-I1085 PolarHBondContact O-N 2.85Å; Q1083-V1086 WeakPolarHBondContact O-CG1 3.37Å; Q1083-V1086 PolarHBondContact O-N 3.04Å |
| 1084 | P | 90.3 | Very high | 92 | Very high | 82 Ų | 82 | 46.9 Ų | 46.9 | 53% | 0.532 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -66.3 | -17.7 | 178.5 | -24.3 | 38 | 0 | 0 | 0 | 115.9 | S1081 I1082 | S1081-P1084 WeakPolarHBondContact O-CD 3.04Å; I1082-P1084 VanDerWaalsContact C-N 3.27Å; I1082-P1084 WeakPolarHBondContact O-CD 3.39Å |
| 1085 | I | 92.9 | Very high | 92.2 | Very high | 12 Ų | 12 | 51.8 Ų | 51.8 | 6% | 0.062 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -119.5 | 12.6 | -179.1 | 60.5 | 166.7 | 0 | 0 | 0 | 113 | R1045 F1049 I1082 Q1083 Y1087 E1088 I1089 | R1045-I1085 HydrophobicContact CG-CD1 3.8Å; F1049-I1085 HydrophobicContact CB-CD1 3.92Å; F1049-I1085 HydrophobicContact CD1-CB 4.49Å; F1049-I1085 HydrophobicContact CD1-CD1 3.83Å; F1049-I1085 HydrophobicContact CD2-CD1 3.78Å; F1049-I1085 HydrophobicContact CE1-CB 4.34Å; F1049-I1085 HydrophobicContact CE1-CD1 4.25Å; F1049-I1085 HydrophobicContact CE2-CD1 4.22Å; F1049-I1085 HydrophobicContact CG-CD1 3.56Å; F1049-I1085 HydrophobicContact CZ-CD1 4.43Å; I1082-I1085 HydrophobicContact CD1-CD1 4.24Å; I1082-I1085 HydrophobicContact CG2-CG1 4.26Å; I1082-I1085 VanDerWaalsContact O-CG1 3.28Å; I1082-I1085 WeakPolarHBondContact O-CG1 3.17Å; I1082-I1085 PolarHBondContact O-N 2.81Å; Q1083-I1085 PolarHBondContact O-N 2.85Å; I1085-Y1087 VanDerWaalsContact C-N 3.3Å; I1085-Y1087 PolarHBondContact O-N 2.98Å; I1085-E1088 VanDerWaalsContact C-OE2 3.27Å; I1085-E1088 WeakPolarHBondContact CA-OE2 3.5Å; I1085-E1088 PolarHBondContact O-N 3.43Å; I1085-I1089 HydrophobicContact CD1-CD1 4.19Å; I1085-I1089 HydrophobicContact CG1-CD1 4.08Å; I1085-I1089 WeakPolarHBondContact O-CG1 3.43Å; I1085-I1089 PolarHBondContact O-N 2.99Å |
| 1086 | V | 93.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.5 | -32.3 | -171.7 | 80.4 | 0 | 0 | 0 | 0 | 112.2 | I1082 Q1083 I1089 F1090 P1131 V1134 | I1082-V1086 HydrophobicContact CG2-CB 4.46Å; I1082-V1086 HydrophobicContact CG2-CG2 4.45Å; I1082-V1086 PolarHBondContact O-N 3.32Å; Q1083-V1086 WeakPolarHBondContact O-CG1 3.37Å; Q1083-V1086 PolarHBondContact O-N 3.04Å; V1086-I1089 PolarHBondContact O-N 3.49Å; V1086-F1090 PolarHBondContact O-N 3.11Å; V1086-P1131 HydrophobicContact CG1-CG 4.03Å; V1086-V1134 HydrophobicContact CG1-CG2 4.47Å |
| 1087 | Y | 94.1 | Very high | 92.6 | Very high | 110 Ų | 110 | 49.6 Ų | 49.6 | 43% | 0.431 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -71.9 | -39 | 177.2 | -70.8 | -79.1 | 0 | 0 | 0 | 111.3 | I1085 I1089 F1090 L1091 P1131 D1133 V1134 | I1085-Y1087 VanDerWaalsContact C-N 3.3Å; I1085-Y1087 PolarHBondContact O-N 2.98Å; Y1087-I1089 VanDerWaalsContact C-N 3.3Å; Y1087-I1089 PolarHBondContact O-N 2.95Å; Y1087-F1090 PolarHBondContact O-N 3.38Å; Y1087-L1091 WeakPolarHBondContact O-CG 3.47Å; Y1087-L1091 PolarHBondContact O-N 3.4Å; Y1087-P1131 HydrophobicContact CE2-CG 4.2Å; Y1087-D1133 WeakPolarHBondContact CE1-OD2 3.39Å; Y1087-D1133 PolarHBondContact OH-OD1 3.1Å; Y1087-D1133 PolarHBondContact OH-OD2 2.88Å; Y1087-V1134 HydrophobicContact CD1-CG2 3.76Å; Y1087-V1134 HydrophobicContact CE1-CG2 3.42Å; Y1087-V1134 VanDerWaalsContact CE1-CG2 3.42Å |
| 1088 | E | 94.7 | Very high | 92.8 | Very high | 91 Ų | 91 | 49.4 Ų | 49.4 | 43% | 0.425 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.4 | -37.3 | 171.6 | -66.4 | 93.7 | 151.9 | 0 | 0 | 111.9 | F1049 I1085 L1091 L1092 | F1049-E1088 HydrophobicContact CE1-CB 3.91Å; F1049-E1088 HydrophobicContact CZ-CB 3.89Å; I1085-E1088 VanDerWaalsContact C-OE2 3.27Å; I1085-E1088 WeakPolarHBondContact CA-OE2 3.5Å; I1085-E1088 PolarHBondContact O-N 3.43Å; E1088-L1091 PolarHBondContact O-N 2.85Å; E1088-L1092 WeakPolarHBondContact O-CB 3.44Å; E1088-L1092 PolarHBondContact O-N 3.07Å |
| 1089 | I | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 174.5 | -69.6 | 162.7 | 0 | 0 | 0 | 110.7 | F1049 I1071 V1075 I1082 I1085 V1086 Y1087 L1091 L1092 I1093 L1112 | F1049-I1089 HydrophobicContact CE2-CD1 4.38Å; F1049-I1089 HydrophobicContact CE2-CG1 3.6Å; F1049-I1089 HydrophobicContact CZ-CG1 3.91Å; I1071-I1089 HydrophobicContact CG2-CG1 4.47Å; V1075-I1089 HydrophobicContact CG2-CD1 3.78Å; I1082-I1089 HydrophobicContact CG2-CD1 3.29Å; I1085-I1089 HydrophobicContact CD1-CD1 4.19Å; I1085-I1089 HydrophobicContact CG1-CD1 4.08Å; I1085-I1089 WeakPolarHBondContact O-CG1 3.43Å; I1085-I1089 PolarHBondContact O-N 2.99Å; V1086-I1089 PolarHBondContact O-N 3.49Å; Y1087-I1089 VanDerWaalsContact C-N 3.3Å; Y1087-I1089 PolarHBondContact O-N 2.95Å; I1089-L1091 PolarHBondContact O-N 3.41Å; I1089-L1092 WeakPolarHBondContact O-CB 3.01Å; I1089-L1092 PolarHBondContact O-N 2.99Å; I1089-I1093 HydrophobicContact CG2-CD1 3.9Å; I1089-I1093 HydrophobicContact CG2-CG1 4.49Å; I1089-I1093 VanDerWaalsContact O-CG1 3.3Å; I1089-I1093 WeakPolarHBondContact O-CG1 3.23Å; I1089-I1093 PolarHBondContact O-N 3.3Å; I1089-L1112 HydrophobicContact CG2-CD1 4.18Å; I1089-L1112 HydrophobicContact CG2-CD2 4.38Å; I1089-L1112 HydrophobicContact CG2-CG 4.37Å |
| 1090 | F | 95.2 | Very high | 93.4 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.6 | -47.6 | 175.3 | 172.2 | -96.3 | 0 | 0 | 0 | 111.7 | V1086 Y1087 L1092 I1093 E1094 V1134 D1137 L1138 L1141 | V1086-F1090 PolarHBondContact O-N 3.11Å; Y1087-F1090 PolarHBondContact O-N 3.38Å; F1090-L1092 VanDerWaalsContact C-N 3.3Å; F1090-L1092 PolarHBondContact O-N 2.86Å; F1090-I1093 WeakPolarHBondContact O-CB 3.4Å; F1090-I1093 PolarHBondContact O-N 2.92Å; F1090-I1093 VanDerWaalsContact O-N 3.13Å; F1090-E1094 WeakPolarHBondContact O-CB 3.46Å; F1090-E1094 PolarHBondContact O-N 2.93Å; F1090-V1134 HydrophobicContact CB-CG1 4.21Å; F1090-V1134 HydrophobicContact CD2-CG1 4.32Å; F1090-V1134 HydrophobicContact CG-CG1 4.49Å; F1090-D1137 HydrophobicContact CE2-CB 4.05Å; F1090-D1137 HydrophobicContact CZ-CB 3.9Å; F1090-L1138 HydrophobicContact CD2-CB 4.26Å; F1090-L1138 HydrophobicContact CD2-CD1 3.67Å; F1090-L1138 HydrophobicContact CE2-CB 4.23Å; F1090-L1138 HydrophobicContact CE2-CD1 4.09Å; F1090-L1141 HydrophobicContact CE2-CD2 4.48Å |
| 1091 | L | 94.9 | Very high | 93.6 | Very high | 101 Ų | 101 | 52.2 Ų | 52.2 | 53% | 0.529 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.8 | -37.4 | 177.9 | -70.4 | 170.2 | 0 | 0 | 0 | 112.4 | Y1087 E1088 I1089 F1095 | Y1087-L1091 WeakPolarHBondContact O-CG 3.47Å; Y1087-L1091 PolarHBondContact O-N 3.4Å; E1088-L1091 PolarHBondContact O-N 2.85Å; I1089-L1091 PolarHBondContact O-N 3.41Å; L1091-F1095 VanDerWaalsContact O-CB 3.25Å; L1091-F1095 WeakPolarHBondContact O-CB 3.05Å; L1091-F1095 PolarHBondContact O-N 3.36Å |
| 1092 | L | 95.9 | Very high | 93.7 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 173.4 | -111.4 | 136 | 0 | 0 | 0 | 111.7 | F1049 V1053 S1056 L1068 I1071 E1088 I1089 F1090 H1096 | F1049-L1092 HydrophobicContact CE2-CD1 4.12Å; F1049-L1092 HydrophobicContact CZ-CD1 3.78Å; V1053-L1092 HydrophobicContact CB-CD1 4.35Å; V1053-L1092 HydrophobicContact CG1-CD1 4.15Å; V1053-L1092 HydrophobicContact CG2-CD1 3.51Å; S1056-L1092 WeakPolarHBondContact OG-CD2 3.45Å; L1068-L1092 HydrophobicContact CD2-CD2 3.61Å; I1071-L1092 HydrophobicContact CD1-CD2 4.26Å; E1088-L1092 WeakPolarHBondContact O-CB 3.44Å; E1088-L1092 PolarHBondContact O-N 3.07Å; I1089-L1092 WeakPolarHBondContact O-CB 3.01Å; I1089-L1092 PolarHBondContact O-N 2.99Å; F1090-L1092 VanDerWaalsContact C-N 3.3Å; F1090-L1092 PolarHBondContact O-N 2.86Å; L1092-H1096 PolarHBondContact O-CD2 3.36Å; L1092-H1096 PolarHBondContact O-N 2.99Å |
| 1093 | I | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.7 | -51.2 | 178 | -65.1 | 161.5 | 0 | 0 | 0 | 109.6 | I1089 F1090 F1095 H1096 L1097 S1109 L1112 A1113 L1116 L1138 L1141 | I1089-I1093 HydrophobicContact CG2-CD1 3.9Å; I1089-I1093 HydrophobicContact CG2-CG1 4.49Å; I1089-I1093 VanDerWaalsContact O-CG1 3.3Å; I1089-I1093 WeakPolarHBondContact O-CG1 3.23Å; I1089-I1093 PolarHBondContact O-N 3.3Å; F1090-I1093 WeakPolarHBondContact O-CB 3.4Å; F1090-I1093 PolarHBondContact O-N 2.92Å; F1090-I1093 VanDerWaalsContact O-N 3.13Å; I1093-F1095 PolarHBondContact O-N 2.88Å; I1093-H1096 PolarHBondContact O-N 3.48Å; I1093-L1097 WeakPolarHBondContact O-CB 3.44Å; I1093-L1097 PolarHBondContact O-N 3.05Å; I1093-S1109 WeakPolarHBondContact CA-OG 3.48Å; I1093-S1109 PolarHBondContact O-OG 3.03Å; I1093-L1112 HydrophobicContact CD1-CD2 4.37Å; I1093-L1112 HydrophobicContact CD1-CG 3.95Å; I1093-L1112 HydrophobicContact CG1-CB 4.33Å; I1093-L1112 HydrophobicContact CG1-CD2 3.71Å; I1093-L1112 HydrophobicContact CG1-CG 3.72Å; I1093-A1113 HydrophobicContact CD1-CB 4.15Å; I1093-A1113 HydrophobicContact CG2-CB 3.9Å; I1093-L1116 HydrophobicContact CD1-CD1 3.93Å; I1093-L1138 HydrophobicContact CB-CD1 4.44Å; I1093-L1138 HydrophobicContact CD1-CD1 3.77Å; I1093-L1138 HydrophobicContact CG2-CD1 4.08Å; I1093-L1141 HydrophobicContact CG2-CD2 3.95Å |
| 1094 | E | 96.5 | Very high | 94 | Very high | 79 Ų | 79 | 51.8 Ų | 51.8 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.3 | -52.2 | 179.4 | -177.5 | 175.4 | -153.9 | 0 | 0 | 111.2 | F1090 S1098 L1141 | F1090-E1094 WeakPolarHBondContact O-CB 3.46Å; F1090-E1094 PolarHBondContact O-N 2.93Å; E1094-S1098 VanDerWaalsContact O-CB 3.25Å; E1094-S1098 WeakPolarHBondContact O-CB 3.21Å; E1094-S1098 PolarHBondContact O-N 3.01Å; E1094-S1098 PolarHBondContact O-OG 2.72Å; E1094-L1141 HydrophobicContact CB-CD2 3.96Å; E1094-L1141 HydrophobicContact CG-CD1 4.14Å; E1094-L1141 HydrophobicContact CG-CD2 4.42Å |
| 1095 | F | 96.1 | Very high | 94.2 | Very high | 105 Ų | 105 | 47.9 Ų | 47.9 | 46% | 0.461 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.1 | -55.6 | -179.3 | 178.7 | -100.7 | 0 | 0 | 0 | 112.1 | L1091 I1093 S1098 Q1099 | L1091-F1095 VanDerWaalsContact O-CB 3.25Å; L1091-F1095 WeakPolarHBondContact O-CB 3.05Å; L1091-F1095 PolarHBondContact O-N 3.36Å; I1093-F1095 PolarHBondContact O-N 2.88Å; F1095-S1098 PolarHBondContact O-N 3.41Å; F1095-Q1099 HydrophobicContact CE2-CB 4.45Å; F1095-Q1099 WeakPolarHBondContact O-CB 3.38Å; F1095-Q1099 PolarHBondContact O-N 2.99Å |
| 1096 | H | 96.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.2 | -34 | -175.3 | -75.2 | -70.6 | 0 | 0 | 0 | 112.9 | S1056 L1068 L1092 I1093 D1100 V1105 R1106 | S1056-H1096 PolarHBondContact O-CE1 3.42Å; S1056-H1096 PolarHBondContact O-NE2 3.48Å; S1056-H1096 PolarHBondContact OG-NE2 3.09Å; L1068-H1096 HydrophobicContact CD1-CB 3.92Å; L1092-H1096 PolarHBondContact O-CD2 3.36Å; L1092-H1096 PolarHBondContact O-N 2.99Å; I1093-H1096 PolarHBondContact O-N 3.48Å; H1096-D1100 HydrophobicContact CB-CB 4.49Å; H1096-D1100 IonicContact CE1-OD2 2.91Å; H1096-D1100 IonicContact ND1-OD2 3.59Å; H1096-D1100 PolarHBondContact ND1-OD2 3.38Å; H1096-D1100 WeakPolarHBondContact O-CB 3.29Å; H1096-D1100 PolarHBondContact O-N 2.87Å; H1096-V1105 HydrophobicContact CB-CG1 4.32Å; H1096-R1106 WeakPolarHBondContact O-CG 3.31Å |
| 1097 | L | 94.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73 | -31.3 | 179.7 | -168.2 | 65.5 | 0 | 0 | 0 | 112 | I1093 R1106 A1110 L1141 L1142 R1145 V1154 I1158 | I1093-L1097 WeakPolarHBondContact O-CB 3.44Å; I1093-L1097 PolarHBondContact O-N 3.05Å; L1097-R1106 HydrophobicContact CD1-CB 4.35Å; L1097-R1106 VanDerWaalsContact CD1-O 3.3Å; L1097-R1106 WeakPolarHBondContact CD1-O 3.01Å; L1097-R1106 WeakPolarHBondContact O-CD 3.19Å; L1097-A1110 HydrophobicContact CD1-CB 4.02Å; L1097-L1141 HydrophobicContact CD2-CD2 4.36Å; L1097-L1141 HydrophobicContact CD2-CG 4.31Å; L1097-L1142 HydrophobicContact CD2-CD2 3.88Å; L1097-R1145 HydrophobicContact CD2-CB 4.13Å; L1097-R1145 HydrophobicContact CD2-CG 3.94Å; L1097-R1145 HydrophobicContact CG-CB 4.33Å; L1097-R1145 HydrophobicContact CG-CG 3.98Å; L1097-R1145 VanDerWaalsContact O-CZ 3.31Å; L1097-R1145 PolarHBondContact O-NE 3.28Å; L1097-R1145 VanDerWaalsContact O-NE 3.11Å; L1097-R1145 PolarHBondContact O-NH2 3.5Å; L1097-V1154 HydrophobicContact CD1-CG1 4.35Å; L1097-I1158 HydrophobicContact CD1-CD1 4.18Å; L1097-I1158 HydrophobicContact CD1-CG1 4.28Å |
| 1098 | S | 93.1 | Very high | 94.4 | Very high | 45 Ų | 45 | 47.8 Ų | 47.8 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -92.9 | -35.9 | -178.3 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | E1094 F1095 | E1094-S1098 VanDerWaalsContact O-CB 3.25Å; E1094-S1098 WeakPolarHBondContact O-CB 3.21Å; E1094-S1098 PolarHBondContact O-N 3.01Å; E1094-S1098 PolarHBondContact O-OG 2.72Å; F1095-S1098 PolarHBondContact O-N 3.41Å |
| 1099 | Q | 92.3 | Very high | 94.5 | Very high | 134 Ų | 134 | 43.4 Ų | 43.4 | 63% | 0.626 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -114.2 | -16.4 | -168.5 | -53.2 | -166.2 | -5.6 | 0 | 0 | 115.3 | F1095 V1101 | F1095-Q1099 HydrophobicContact CE2-CB 4.45Å; F1095-Q1099 WeakPolarHBondContact O-CB 3.38Å; F1095-Q1099 PolarHBondContact O-N 2.99Å; Q1099-V1101 PolarHBondContact O-N 3.42Å |
| 1100 | D | 94.1 | Very high | 94.5 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 9% | 0.086 | 22% | 0.224 | C | C | . | . | trans | -72.9 | 132.5 | -177.3 | -150.5 | -61.7 | 0 | 0 | 0 | 111.3 | R1064 H1096 S1102 V1105 R1106 | R1064-D1100 IonicContact CZ-OD1 2.75Å; R1064-D1100 IonicContact CZ-OD2 2.98Å; R1064-D1100 IonicContact NE-OD1 3.24Å; R1064-D1100 IonicContact NE-OD2 3.01Å; R1064-D1100 PolarHBondContact NE-OD2 3.03Å; R1064-D1100 IonicContact NH2-OD1 3.84Å; R1064-D1100 PolarHBondContact NH2-OD1 3.25Å; R1064-D1100 IonicContact NH2-OD2 3.74Å; H1096-D1100 HydrophobicContact CB-CB 4.49Å; H1096-D1100 IonicContact CE1-OD2 2.91Å; H1096-D1100 IonicContact ND1-OD2 3.59Å; H1096-D1100 PolarHBondContact ND1-OD2 3.38Å; H1096-D1100 WeakPolarHBondContact O-CB 3.29Å; H1096-D1100 PolarHBondContact O-N 2.87Å; D1100-S1102 VanDerWaalsContact C-N 3.31Å; D1100-S1102 PolarHBondContact O-N 3.26Å; D1100-S1102 PolarHBondContact OD1-N 3.25Å; D1100-S1102 VanDerWaalsContact OD1-N 3.13Å; D1100-V1105 HydrophobicContact CB-CB 4.3Å; D1100-V1105 HydrophobicContact CB-CG1 4.15Å; D1100-V1105 VanDerWaalsContact OD2-CG1 3.26Å; D1100-V1105 WeakPolarHBondContact OD2-CG1 3.25Å; D1100-R1106 HydrophobicContact CB-CG 4.29Å; D1100-R1106 WeakPolarHBondContact O-CD 3.12Å; D1100-R1106 PolarHBondContact O-NH1 3.13Å | ||
| 1101 | V | 91.5 | Very high | 94.5 | Very high | 136 Ų | 136 | 45.2 Ų | 45.2 | 82% | 0.824 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -70.2 | -32.9 | -178.1 | -164.9 | 0 | 0 | 0 | 0 | 110.8 | Q1099 R1106 | Q1099-V1101 PolarHBondContact O-N 3.42Å; V1101-R1106 VanDerWaalsContact C-NH1 3.32Å; V1101-R1106 PolarHBondContact O-NH1 3.19Å |
| 1102 | S | 91.7 | Very high | 94.6 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | trans | -78.9 | 126.5 | -176.7 | 179.6 | 0 | 0 | 0 | 0 | 112.2 | E1061 D1100 V1104 V1105 R1106 | E1061-S1102 WeakPolarHBondContact OE2-CB 3.26Å; E1061-S1102 PolarHBondContact OE2-OG 3.1Å; D1100-S1102 VanDerWaalsContact C-N 3.31Å; D1100-S1102 PolarHBondContact O-N 3.26Å; D1100-S1102 PolarHBondContact OD1-N 3.25Å; D1100-S1102 VanDerWaalsContact OD1-N 3.13Å; S1102-V1104 VanDerWaalsContact C-N 3.33Å; S1102-V1104 PolarHBondContact O-N 2.95Å; S1102-V1104 PolarHBondContact OG-N 3.33Å; S1102-V1105 PolarHBondContact O-N 3.19Å; S1102-R1106 WeakPolarHBondContact O-CG 3.3Å; S1102-R1106 PolarHBondContact O-N 3.11Å | ||
| 1103 | N | 92.8 | Very high | 94.5 | Very high | 60 Ų | 60 | 39.7 Ų | 39.7 | 32% | 0.321 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.8 | -37.4 | 173.5 | 57.1 | -6.4 | 0 | 0 | 0 | 112.2 | V1105 R1106 K1107 D1151 V1154 | N1103-V1105 VanDerWaalsContact C-N 3.27Å; N1103-V1105 PolarHBondContact O-N 3.32Å; N1103-R1106 PolarHBondContact O-N 3.17Å; N1103-K1107 WeakPolarHBondContact O-CB 3.38Å; N1103-K1107 PolarHBondContact O-N 3.09Å; N1103-D1151 HydrophobicContact CB-CB 3.95Å; N1103-D1151 PolarHBondContact ND2-OD2 3.47Å; N1103-V1154 HydrophobicContact CB-CG2 4.02Å; N1103-V1154 WeakPolarHBondContact O-CG2 3.45Å |
| 1104 | V | 91.1 | Very high | 94.4 | Very high | 61 Ų | 61 | 42.8 Ų | 42.8 | 37% | 0.37 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.1 | -38.2 | 178.2 | -171.2 | 0 | 0 | 0 | 0 | 110.9 | A1065 S1102 A1108 | A1065-V1104 HydrophobicContact CB-CG1 3.9Å; S1102-V1104 VanDerWaalsContact C-N 3.33Å; S1102-V1104 PolarHBondContact O-N 2.95Å; S1102-V1104 PolarHBondContact OG-N 3.33Å; V1104-A1108 PolarHBondContact O-N 3Å |
| 1105 | V | 94.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72.5 | -43.8 | 177.5 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | E1061 R1064 A1065 L1068 H1096 D1100 S1102 N1103 K1107 A1108 S1109 | E1061-V1105 HydrophobicContact CB-CG2 4.01Å; E1061-V1105 VanDerWaalsContact O-CG2 3.23Å; E1061-V1105 WeakPolarHBondContact O-CG2 3.45Å; R1064-V1105 HydrophobicContact CB-CG1 3.95Å; R1064-V1105 HydrophobicContact CB-CG2 3.81Å; A1065-V1105 HydrophobicContact CB-CG2 4.16Å; L1068-V1105 HydrophobicContact CD1-CG1 3.55Å; H1096-V1105 HydrophobicContact CB-CG1 4.32Å; D1100-V1105 HydrophobicContact CB-CB 4.3Å; D1100-V1105 HydrophobicContact CB-CG1 4.15Å; D1100-V1105 VanDerWaalsContact OD2-CG1 3.26Å; D1100-V1105 WeakPolarHBondContact OD2-CG1 3.25Å; S1102-V1105 PolarHBondContact O-N 3.19Å; N1103-V1105 VanDerWaalsContact C-N 3.27Å; N1103-V1105 PolarHBondContact O-N 3.32Å; V1105-K1107 VanDerWaalsContact C-N 3.28Å; V1105-K1107 PolarHBondContact O-N 3.4Å; V1105-A1108 PolarHBondContact O-N 3.27Å; V1105-S1109 PolarHBondContact O-N 3.37Å |
| 1106 | R | 96.3 | Very high | 94 | Very high | 33 Ų | 33 | 34.3 Ų | 34.3 | 13% | 0.125 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.8 | -40.2 | 173.4 | -66.7 | -159.1 | -59.5 | -77.4 | -1.8 | 111.7 | H1096 L1097 D1100 V1101 S1102 N1103 S1109 A1110 E1149 V1154 | H1096-R1106 WeakPolarHBondContact O-CG 3.31Å; L1097-R1106 HydrophobicContact CD1-CB 4.35Å; L1097-R1106 VanDerWaalsContact CD1-O 3.3Å; L1097-R1106 WeakPolarHBondContact CD1-O 3.01Å; L1097-R1106 WeakPolarHBondContact O-CD 3.19Å; D1100-R1106 HydrophobicContact CB-CG 4.29Å; D1100-R1106 WeakPolarHBondContact O-CD 3.12Å; D1100-R1106 PolarHBondContact O-NH1 3.13Å; V1101-R1106 VanDerWaalsContact C-NH1 3.32Å; V1101-R1106 PolarHBondContact O-NH1 3.19Å; S1102-R1106 WeakPolarHBondContact O-CG 3.3Å; S1102-R1106 PolarHBondContact O-N 3.11Å; N1103-R1106 PolarHBondContact O-N 3.17Å; R1106-S1109 WeakPolarHBondContact O-CB 3.41Å; R1106-S1109 PolarHBondContact O-N 3.37Å; R1106-A1110 PolarHBondContact O-N 3.32Å; R1106-E1149 WeakPolarHBondContact CD-OE2 3.24Å; R1106-E1149 IonicContact CZ-OE1 3.79Å; R1106-E1149 IonicContact CZ-OE2 3.97Å; R1106-E1149 VanDerWaalsContact NE-CD 3.3Å; R1106-E1149 IonicContact NE-OE1 2.81Å; R1106-E1149 PolarHBondContact NE-OE1 3.14Å; R1106-E1149 VanDerWaalsContact NE-OE1 3.09Å; R1106-E1149 IonicContact NE-OE2 3.96Å; R1106-E1149 PolarHBondContact NE-OE2 2.97Å; R1106-E1149 IonicContact NH2-OE1 3.97Å; R1106-E1149 PolarHBondContact NH2-OE1 3.46Å; R1106-E1149 IonicContact NH2-OE2 3.05Å; R1106-V1154 HydrophobicContact CB-CG1 3.81Å; R1106-V1154 HydrophobicContact CB-CG2 4.05Å |
| 1107 | K | 94.6 | Very high | 93.8 | Very high | 80 Ų | 80 | 34.3 Ų | 34.3 | 35% | 0.348 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 174.9 | -174.2 | 177.7 | -175.4 | 172.8 | 0 | 112.2 | N1103 V1105 S1109 A1110 Y1111 S1153 V1154 Q1157 | N1103-K1107 WeakPolarHBondContact O-CB 3.38Å; N1103-K1107 PolarHBondContact O-N 3.09Å; V1105-K1107 VanDerWaalsContact C-N 3.28Å; V1105-K1107 PolarHBondContact O-N 3.4Å; K1107-S1109 VanDerWaalsContact C-N 3.3Å; K1107-S1109 PolarHBondContact O-N 2.73Å; K1107-A1110 PolarHBondContact O-N 2.74Å; K1107-Y1111 PolarHBondContact O-N 3.46Å; K1107-S1153 WeakPolarHBondContact CE-O 3.39Å; K1107-V1154 HydrophobicContact CB-CG2 4.02Å; K1107-Q1157 HydrophobicContact CG-CB 4.41Å; K1107-Q1157 HydrophobicContact CG-CG 4.1Å |
| 1108 | A | 94.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 6% | 0.058 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.9 | -36.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1065 L1068 V1104 V1105 Y1111 L1112 | A1065-A1108 HydrophobicContact CB-CB 4.01Å; A1065-A1108 WeakPolarHBondContact O-CB 3.38Å; L1068-A1108 HydrophobicContact CB-CB 3.91Å; L1068-A1108 HydrophobicContact CD1-CB 4.29Å; V1104-A1108 PolarHBondContact O-N 3Å; V1105-A1108 PolarHBondContact O-N 3.27Å; A1108-Y1111 WeakPolarHBondContact O-CB 3.36Å; A1108-Y1111 PolarHBondContact O-N 2.88Å; A1108-L1112 PolarHBondContact O-N 2.99Å |
| 1109 | S | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 173.4 | -171 | 0 | 0 | 0 | 0 | 112.3 | I1093 V1105 R1106 K1107 Y1111 L1112 A1113 | I1093-S1109 WeakPolarHBondContact CA-OG 3.48Å; I1093-S1109 PolarHBondContact O-OG 3.03Å; V1105-S1109 PolarHBondContact O-N 3.37Å; R1106-S1109 WeakPolarHBondContact O-CB 3.41Å; R1106-S1109 PolarHBondContact O-N 3.37Å; K1107-S1109 VanDerWaalsContact C-N 3.3Å; K1107-S1109 PolarHBondContact O-N 2.73Å; S1109-Y1111 VanDerWaalsContact C-N 3.31Å; S1109-Y1111 PolarHBondContact O-N 3.48Å; S1109-L1112 WeakPolarHBondContact O-CB 3.3Å; S1109-L1112 PolarHBondContact O-N 3.37Å; S1109-A1113 PolarHBondContact O-N 3.27Å |
| 1110 | A | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -36.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1097 R1106 K1107 A1113 R1114 Q1157 I1158 | L1097-A1110 HydrophobicContact CD1-CB 4.02Å; R1106-A1110 PolarHBondContact O-N 3.32Å; K1107-A1110 PolarHBondContact O-N 2.74Å; A1110-A1113 WeakPolarHBondContact O-CB 3.46Å; A1110-A1113 PolarHBondContact O-N 2.95Å; A1110-R1114 PolarHBondContact O-N 3.25Å; A1110-Q1157 HydrophobicContact CB-CB 3.9Å; A1110-I1158 HydrophobicContact CB-CG1 3.89Å |
| 1111 | Y | 95.8 | Very high | 89.5 | Confident | 66 Ų | 66 | 39.4 Ų | 39.4 | 26% | 0.259 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.5 | -38.3 | 173 | 177.1 | -113.9 | 0 | 0 | 0 | 112.9 | A1072 K1107 A1108 S1109 R1114 S1115 | A1072-Y1111 HydrophobicContact CB-CD1 3.72Å; A1072-Y1111 HydrophobicContact CB-CE1 3.66Å; K1107-Y1111 PolarHBondContact O-N 3.46Å; A1108-Y1111 WeakPolarHBondContact O-CB 3.36Å; A1108-Y1111 PolarHBondContact O-N 2.88Å; S1109-Y1111 VanDerWaalsContact C-N 3.31Å; S1109-Y1111 PolarHBondContact O-N 3.48Å; Y1111-R1114 PolarHBondContact O-N 2.92Å; Y1111-S1115 WeakPolarHBondContact O-CB 3.25Å; Y1111-S1115 PolarHBondContact O-N 2.94Å; Y1111-S1115 PolarHBondContact O-OG 3.1Å |
| 1112 | L | 95.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.5 | -44.1 | 171.9 | 172 | 57.4 | 0 | 0 | 0 | 111.2 | L1068 I1071 A1072 V1075 I1089 I1093 A1108 S1109 R1114 S1115 | L1068-L1112 HydrophobicContact CD2-CD2 4.03Å; I1071-L1112 HydrophobicContact CB-CD1 4.33Å; I1071-L1112 HydrophobicContact CB-CD2 4.38Å; I1071-L1112 HydrophobicContact CG2-CD1 3.73Å; I1071-L1112 HydrophobicContact CG2-CD2 3.95Å; A1072-L1112 VanDerWaalsContact CA-CD1 3.49Å; A1072-L1112 HydrophobicContact CB-CB 4.06Å; A1072-L1112 HydrophobicContact CB-CD1 3.91Å; V1075-L1112 HydrophobicContact CG2-CD1 4.05Å; I1089-L1112 HydrophobicContact CG2-CD1 4.18Å; I1089-L1112 HydrophobicContact CG2-CD2 4.38Å; I1089-L1112 HydrophobicContact CG2-CG 4.37Å; I1093-L1112 HydrophobicContact CD1-CD2 4.37Å; I1093-L1112 HydrophobicContact CD1-CG 3.95Å; I1093-L1112 HydrophobicContact CG1-CB 4.33Å; I1093-L1112 HydrophobicContact CG1-CD2 3.71Å; I1093-L1112 HydrophobicContact CG1-CG 3.72Å; A1108-L1112 PolarHBondContact O-N 2.99Å; S1109-L1112 WeakPolarHBondContact O-CB 3.3Å; S1109-L1112 PolarHBondContact O-N 3.37Å; L1112-R1114 VanDerWaalsContact C-N 3.35Å; L1112-R1114 PolarHBondContact O-N 2.67Å; L1112-S1115 PolarHBondContact O-N 3.44Å |
| 1113 | A | 95.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.6 | -44.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1093 S1109 A1110 S1115 L1116 F1117 L1138 L1142 | I1093-A1113 HydrophobicContact CD1-CB 4.15Å; I1093-A1113 HydrophobicContact CG2-CB 3.9Å; S1109-A1113 PolarHBondContact O-N 3.27Å; A1110-A1113 WeakPolarHBondContact O-CB 3.46Å; A1110-A1113 PolarHBondContact O-N 2.95Å; A1113-S1115 VanDerWaalsContact C-N 3.34Å; A1113-S1115 PolarHBondContact O-N 3.02Å; A1113-L1116 PolarHBondContact O-N 3.2Å; A1113-F1117 WeakPolarHBondContact O-CD2 3.36Å; A1113-L1138 HydrophobicContact CB-CD1 4.33Å; A1113-L1138 HydrophobicContact CB-CD2 4.13Å; A1113-L1138 HydrophobicContact CB-CG 4.47Å; A1113-L1142 HydrophobicContact CB-CD1 4.23Å; A1113-L1142 HydrophobicContact CB-CD2 4.14Å |
| 1114 | R | 94.6 | Very high | 85.2 | Confident | 66 Ų | 66 | 42.4 Ų | 42.4 | 25% | 0.249 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 176.7 | -175.5 | 175.5 | 174 | -173 | -1.7 | 112.6 | A1110 Y1111 L1112 L1116 F1117 L1118 Q1157 S1160 A1161 Q1164 | A1110-R1114 PolarHBondContact O-N 3.25Å; Y1111-R1114 PolarHBondContact O-N 2.92Å; L1112-R1114 VanDerWaalsContact C-N 3.35Å; L1112-R1114 PolarHBondContact O-N 2.67Å; R1114-L1116 PolarHBondContact O-N 3.48Å; R1114-F1117 PolarHBondContact O-N 3.33Å; R1114-L1118 HydrophobicContact CG-CD1 4.15Å; R1114-L1118 HydrophobicContact CG-CG 4.27Å; R1114-L1118 PolarHBondContact O-N 3.36Å; R1114-Q1157 VanDerWaalsContact NH1-OE1 3.11Å; R1114-S1160 VanDerWaalsContact NH1-CB 3.28Å; R1114-A1161 HydrophobicContact CB-CB 3.76Å; R1114-A1161 HydrophobicContact CG-CB 4.41Å; R1114-Q1164 HydrophobicContact CG-CB 4.3Å |
| 1115 | S | 92.6 | Very high | 84.7 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -22.2 | -176 | -63.1 | 0 | 0 | 0 | 0 | 113.9 | Y1111 L1112 A1113 F1117 | Y1111-S1115 WeakPolarHBondContact O-CB 3.25Å; Y1111-S1115 PolarHBondContact O-N 2.94Å; Y1111-S1115 PolarHBondContact O-OG 3.1Å; L1112-S1115 PolarHBondContact O-N 3.44Å; A1113-S1115 VanDerWaalsContact C-N 3.34Å; A1113-S1115 PolarHBondContact O-N 3.02Å; S1115-F1117 PolarHBondContact O-N 2.82Å |
| 1116 | L | 92.1 | Very high | 84.2 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -25.5 | 171.5 | -73 | 163.7 | 0 | 0 | 0 | 113.1 | V1075 I1093 A1113 R1114 P1127 W1129 I1130 L1138 | V1075-L1116 HydrophobicContact CG1-CD2 3.57Å; V1075-L1116 HydrophobicContact CG1-CG 4.15Å; I1093-L1116 HydrophobicContact CD1-CD1 3.93Å; A1113-L1116 PolarHBondContact O-N 3.2Å; R1114-L1116 PolarHBondContact O-N 3.48Å; L1116-P1127 WeakPolarHBondContact O-CG 3.39Å; L1116-W1129 HydrophobicContact CD2-CH2 3.98Å; L1116-W1129 HydrophobicContact CD2-CZ3 3.9Å; L1116-I1130 HydrophobicContact CB-CD1 3.81Å; L1116-I1130 HydrophobicContact CD2-CD1 4.11Å; L1116-I1130 HydrophobicContact CG-CD1 4.5Å; L1116-I1130 WeakPolarHBondContact O-CD1 3.48Å; L1116-L1138 HydrophobicContact CD1-CD2 4.07Å |
| 1117 | F | 91.1 | Very high | 83.7 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 3.3 | -173.4 | -54.5 | -87.6 | 0 | 0 | 0 | 113.8 | A1113 R1114 S1115 S1119 L1126 P1127 I1130 I1135 L1138 Q1164 I1165 C1168 | A1113-F1117 WeakPolarHBondContact O-CD2 3.36Å; R1114-F1117 PolarHBondContact O-N 3.33Å; S1115-F1117 PolarHBondContact O-N 2.82Å; F1117-S1119 PolarHBondContact O-N 2.82Å; F1117-L1126 HydrophobicContact CD1-CD2 4.21Å; F1117-L1126 HydrophobicContact CE1-CD2 4.02Å; F1117-P1127 HydrophobicContact CD1-CG 4.25Å; F1117-I1130 HydrophobicContact CE1-CD1 4.15Å; F1117-I1130 HydrophobicContact CZ-CD1 4.27Å; F1117-I1135 HydrophobicContact CE1-CG1 4.12Å; F1117-I1135 HydrophobicContact CE1-CG2 4.31Å; F1117-I1135 HydrophobicContact CZ-CG1 4.36Å; F1117-L1138 HydrophobicContact CE2-CD2 3.41Å; F1117-L1138 VanDerWaalsContact CE2-CD2 3.41Å; F1117-L1138 HydrophobicContact CZ-CD2 3.95Å; F1117-Q1164 HydrophobicContact CB-CB 4.42Å; F1117-Q1164 HydrophobicContact CB-CG 3.67Å; F1117-Q1164 WeakPolarHBondContact O-CG 3.2Å; F1117-Q1164 PolarHBondContact O-NE2 3.02Å; F1117-I1165 HydrophobicContact CD1-CG1 4.06Å; F1117-I1165 HydrophobicContact CD2-CD1 4.18Å; F1117-I1165 HydrophobicContact CD2-CG1 3.53Å; F1117-I1165 HydrophobicContact CE1-CG1 4.05Å; F1117-I1165 HydrophobicContact CE2-CD1 3.8Å; F1117-I1165 HydrophobicContact CE2-CG1 3.55Å; F1117-I1165 HydrophobicContact CG-CG1 3.81Å; F1117-I1165 HydrophobicContact CZ-CD1 4.12Å; F1117-I1165 HydrophobicContact CZ-CG1 3.81Å; F1117-C1168 PolarHBondContact O-SG 3.41Å; F1117-C1168 VanDerWaalsContact O-SG 3.41Å |
| 1118 | L | 87 | Confident | 83.2 | Confident | 54 Ų | 54 | 45.8 Ų | 45.8 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | trans | -80.2 | 118.8 | 176 | -79.5 | 169.2 | 0 | 0 | 0 | 110 | R1114 Q1164 | R1114-L1118 HydrophobicContact CG-CD1 4.15Å; R1114-L1118 HydrophobicContact CG-CG 4.27Å; R1114-L1118 PolarHBondContact O-N 3.36Å; L1118-Q1164 HydrophobicContact CD2-CG 4.36Å; L1118-Q1164 HydrophobicContact CG-CG 4.5Å | ||
| 1119 | S | 71.6 | Confident | 82.9 | Confident | 51 Ų | 51 | 46.4 Ų | 46.4 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | trans | -97.8 | 132.9 | 174.7 | -168.9 | 0 | 0 | 0 | 0 | 110.9 | F1117 T1121 I1123 | F1117-S1119 PolarHBondContact O-N 2.82Å; S1119-T1121 PolarHBondContact OG-N 3.38Å; S1119-T1121 PolarHBondContact OG-O 3.1Å; S1119-T1121 VanDerWaalsContact OG-O 3.05Å; S1119-T1121 PolarHBondContact OG-OG1 3.03Å; S1119-I1123 VanDerWaalsContact CB-O 3.27Å; S1119-I1123 WeakPolarHBondContact CB-O 3.38Å; S1119-I1123 PolarHBondContact OG-O 3.21Å | ||
| 1120 | E | 66 | Low | 82.6 | Confident | 109 Ų | 109 | 46.9 Ų | 46.9 | 51% | 0.509 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -81 | -20.3 | 172.2 | -70.7 | 171.5 | 157.1 | 0 | 0 | 112.3 | R1076 K1079 | R1076-E1120 IonicContact CZ-OE1 2.72Å; R1076-E1120 IonicContact NH1-OE1 3.12Å; R1076-E1120 PolarHBondContact NH1-OE1 3.39Å; R1076-E1120 IonicContact NH2-OE1 2.89Å; R1076-E1120 PolarHBondContact NH2-OE1 3.13Å; K1079-E1120 IonicContact NZ-OE2 3.97Å; K1079-E1120 PolarHBondContact NZ-OE2 3.13Å |
| 1121 | T | 58.5 | Low | 82.3 | Confident | 88 Ų | 88 | 48.2 Ų | 48.2 | 54% | 0.54 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -94.3 | 149.7 | 175.5 | 50.3 | 0 | 0 | 0 | 0 | 108.9 | S1119 I1123 | S1119-T1121 PolarHBondContact OG-N 3.38Å; S1119-T1121 PolarHBondContact OG-O 3.1Å; S1119-T1121 VanDerWaalsContact OG-O 3.05Å; S1119-T1121 PolarHBondContact OG-OG1 3.03Å; T1121-I1123 PolarHBondContact O-N 3.08Å |
| 1122 | S | 55.8 | Low | 81.9 | Confident | 126 Ų | 126 | 49.8 Ų | 49.8 | 88% | 0.881 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -59.5 | -0.3 | -177.7 | 52.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1123 | I | 58.9 | Low | 81.7 | Confident | 98 Ų | 98 | 52.1 Ų | 52.1 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | trans | -96.5 | 112 | 178.1 | -54.2 | 169.8 | 0 | 0 | 0 | 107.3 | S1119 T1121 E1125 | S1119-I1123 VanDerWaalsContact CB-O 3.27Å; S1119-I1123 WeakPolarHBondContact CB-O 3.38Å; S1119-I1123 PolarHBondContact OG-O 3.21Å; T1121-I1123 PolarHBondContact O-N 3.08Å; I1123-E1125 HydrophobicContact CG2-CB 4.24Å; I1123-E1125 HydrophobicContact CG2-CG 3.79Å | ||
| 1124 | T | 71.3 | Confident | 81.6 | Confident | 41 Ų | 41 | 52.3 Ų | 52.3 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | trans | -107.8 | 65.2 | -176.3 | 39.8 | 0 | 0 | 0 | 0 | 109.6 | L1167 C1168 N1171 | T1124-L1167 HydrophobicContact CG2-CD2 3.65Å; T1124-C1168 WeakPolarHBondContact O-CA 3.25Å; T1124-N1171 WeakPolarHBondContact O-CB 3.47Å; T1124-N1171 PolarHBondContact O-ND2 3.22Å; T1124-N1171 PolarHBondContact OG1-ND2 3.13Å | ||
| 1125 | E | 80.4 | Confident | 81.4 | Confident | 100 Ų | 100 | 50.5 Ų | 50.5 | 47% | 0.467 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -98.5 | 162.3 | 177.7 | -78.2 | 179 | -159.9 | 0 | 0 | 111 | I1123 C1168 N1171 T1172 | I1123-E1125 HydrophobicContact CG2-CB 4.24Å; I1123-E1125 HydrophobicContact CG2-CG 3.79Å; E1125-C1168 PolarHBondContact O-SG 3.24Å; E1125-C1168 VanDerWaalsContact O-SG 3.35Å; E1125-N1171 HydrophobicContact CG-CB 4.41Å; E1125-T1172 HydrophobicContact CB-CG2 3.45Å; E1125-T1172 VanDerWaalsContact CB-CG2 3.45Å; E1125-T1172 HydrophobicContact CG-CG2 3.71Å |
| 1126 | L | 85.3 | Confident | 81.4 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 127.7 | 170.5 | -87.6 | 164.5 | 0 | 0 | 0 | 109.4 | F1117 A1128 I1135 C1168 T1169 T1172 | F1117-L1126 HydrophobicContact CD1-CD2 4.21Å; F1117-L1126 HydrophobicContact CE1-CD2 4.02Å; L1126-A1128 PolarHBondContact O-N 2.9Å; L1126-A1128 VanDerWaalsContact O-N 3.14Å; L1126-I1135 HydrophobicContact CD2-CD1 3.92Å; L1126-I1135 HydrophobicContact CD2-CG1 4.45Å; L1126-I1135 HydrophobicContact CD2-CG2 4.03Å; L1126-C1168 HydrophobicContact CD2-CB 4.23Å; L1126-C1168 HydrophobicContact CG-CB 4.13Å; L1126-C1168 PolarHBondContact N-O 3.47Å; L1126-T1169 HydrophobicContact CD1-CG2 4.29Å; L1126-T1172 HydrophobicContact CB-CG2 3.89Å; L1126-T1172 WeakPolarHBondContact CD1-OG1 3.37Å; L1126-T1172 WeakPolarHBondContact CG-OG1 3.15Å |
| 1127 | P | 85.5 | Confident | 81.5 | Confident | 19 Ų | 19 | 58.4 Ų | 58.4 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 117 | -176.9 | -10.6 | 22.2 | 0 | 0 | 0 | 110.8 | L1116 F1117 W1129 I1130 | L1116-P1127 WeakPolarHBondContact O-CG 3.39Å; F1117-P1127 HydrophobicContact CD1-CG 4.25Å; P1127-W1129 HydrophobicContact CB-CD2 4.1Å; P1127-W1129 VanDerWaalsContact CB-CE2 3.45Å; P1127-W1129 HydrophobicContact CB-CG 4.37Å; P1127-W1129 HydrophobicContact CB-CZ2 3.72Å; P1127-W1129 HydrophobicContact CG-CZ2 4.21Å; P1127-W1129 PolarHBondContact O-N 3.01Å; P1127-I1130 HydrophobicContact CB-CD1 4.08Å; P1127-I1130 HydrophobicContact CB-CG1 4.14Å; P1127-I1130 HydrophobicContact CG-CD1 3.8Å; P1127-I1130 HydrophobicContact CG-CG1 4.4Å; P1127-I1130 PolarHBondContact O-N 2.91Å |
| 1128 | A | 83.5 | Confident | 81.7 | Confident | 86 Ų | 86 | 58.3 Ų | 58.3 | 71% | 0.711 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -15 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1126 | L1126-A1128 PolarHBondContact O-N 2.9Å; L1126-A1128 VanDerWaalsContact O-N 3.14Å |
| 1129 | W | 87.4 | Confident | 82 | Confident | 21 Ų | 21 | 59.8 Ų | 59.8 | 8% | 0.08 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -6.7 | 178.2 | 49.9 | -93.6 | 0 | 0 | 0 | 114.1 | V1075 Y1080 L1116 P1127 | V1075-W1129 HydrophobicContact CG1-CH2 3.98Å; V1075-W1129 HydrophobicContact CG1-CZ3 4.49Å; Y1080-W1129 HydrophobicContact CD1-CB 3.56Å; Y1080-W1129 AromaticContact CD1-CD1 3.9Å; Y1080-W1129 HydrophobicContact CD1-CG 4.07Å; Y1080-W1129 AromaticContact CD2-CD1 3.95Å; Y1080-W1129 HydrophobicContact CE1-CB 3.93Å; Y1080-W1129 AromaticContact CE1-CD1 3.84Å; Y1080-W1129 HydrophobicContact CE1-CG 4.3Å; Y1080-W1129 AromaticContact CE2-CD1 3.9Å; Y1080-W1129 HydrophobicContact CG-CB 4.1Å; Y1080-W1129 AromaticContact CG-CD1 3.93Å; Y1080-W1129 HydrophobicContact CG-CG 4.23Å; Y1080-W1129 AromaticContact CZ-CD1 3.83Å; L1116-W1129 HydrophobicContact CD2-CH2 3.98Å; L1116-W1129 HydrophobicContact CD2-CZ3 3.9Å; P1127-W1129 HydrophobicContact CB-CD2 4.1Å; P1127-W1129 VanDerWaalsContact CB-CE2 3.45Å; P1127-W1129 HydrophobicContact CB-CG 4.37Å; P1127-W1129 HydrophobicContact CB-CZ2 3.72Å; P1127-W1129 HydrophobicContact CG-CZ2 4.21Å; P1127-W1129 PolarHBondContact O-N 3.01Å |
| 1130 | I | 89.7 | Confident | 83.1 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 5% | 0.051 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -95.4 | 124.4 | 174.4 | -54.7 | 178.1 | 0 | 0 | 0 | 109.1 | L1116 F1117 P1127 V1134 I1135 | L1116-I1130 HydrophobicContact CB-CD1 3.81Å; L1116-I1130 HydrophobicContact CD2-CD1 4.11Å; L1116-I1130 HydrophobicContact CG-CD1 4.5Å; L1116-I1130 WeakPolarHBondContact O-CD1 3.48Å; F1117-I1130 HydrophobicContact CE1-CD1 4.15Å; F1117-I1130 HydrophobicContact CZ-CD1 4.27Å; P1127-I1130 HydrophobicContact CB-CD1 4.08Å; P1127-I1130 HydrophobicContact CB-CG1 4.14Å; P1127-I1130 HydrophobicContact CG-CD1 3.8Å; P1127-I1130 HydrophobicContact CG-CG1 4.4Å; P1127-I1130 PolarHBondContact O-N 2.91Å; I1130-V1134 HydrophobicContact CG2-CB 4.02Å; I1130-V1134 HydrophobicContact CG2-CG1 3.98Å; I1130-I1135 HydrophobicContact CB-CD1 4.2Å; I1130-I1135 HydrophobicContact CB-CG1 4.1Å; I1130-I1135 HydrophobicContact CG2-CD1 4.22Å; I1130-I1135 HydrophobicContact CG2-CG1 3.6Å |
| 1131 | P | 90.5 | Very high | 84.5 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 18% | 0.175 | 33% | 0.329 | C | S | . | . | trans | -57.8 | 143.3 | 173.5 | -24.4 | 35.1 | 0 | 0 | 0 | 112.7 | V1086 Y1087 D1133 V1134 I1135 | V1086-P1131 HydrophobicContact CG1-CG 4.03Å; Y1087-P1131 HydrophobicContact CE2-CG 4.2Å; P1131-D1133 VanDerWaalsContact C-N 3.3Å; P1131-D1133 WeakPolarHBondContact CB-OD1 3.28Å; P1131-D1133 PolarHBondContact O-N 3.4Å; P1131-V1134 HydrophobicContact CB-CB 4.46Å; P1131-V1134 HydrophobicContact CB-CG2 4.07Å; P1131-V1134 HydrophobicContact CG-CG2 4.23Å; P1131-V1134 PolarHBondContact O-N 3.29Å; P1131-V1134 VanDerWaalsContact O-N 3.1Å; P1131-I1135 PolarHBondContact O-N 3.32Å; P1131-I1135 VanDerWaalsContact O-N 3.09Å | ||
| 1132 | S | 86.9 | Confident | 86.3 | Confident | 99 Ų | 99 | 56 Ų | 56 | 69% | 0.692 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.1 | -31.1 | -175 | 54 | 0 | 0 | 0 | 0 | 113.6 | I1135 R1136 | S1132-I1135 PolarHBondContact O-N 2.88Å; S1132-R1136 WeakPolarHBondContact O-CB 3.34Å; S1132-R1136 PolarHBondContact O-N 3.06Å |
| 1133 | D | 91.3 | Very high | 88.2 | Confident | 49 Ų | 49 | 51.5 Ų | 51.5 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 169.5 | 53.8 | -41.4 | 0 | 0 | 0 | 111.3 | Y1087 P1131 I1135 R1136 D1137 | Y1087-D1133 WeakPolarHBondContact CE1-OD2 3.39Å; Y1087-D1133 PolarHBondContact OH-OD1 3.1Å; Y1087-D1133 PolarHBondContact OH-OD2 2.88Å; P1131-D1133 VanDerWaalsContact C-N 3.3Å; P1131-D1133 WeakPolarHBondContact CB-OD1 3.28Å; P1131-D1133 PolarHBondContact O-N 3.4Å; D1133-I1135 PolarHBondContact O-N 3.48Å; D1133-R1136 WeakPolarHBondContact O-CB 3.46Å; D1133-R1136 PolarHBondContact O-N 3.5Å; D1133-D1137 WeakPolarHBondContact O-CB 3.44Å; D1133-D1137 PolarHBondContact O-N 2.97Å |
| 1134 | V | 92.6 | Very high | 89.9 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 177.1 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | V1086 Y1087 F1090 I1130 P1131 R1136 D1137 L1138 | V1086-V1134 HydrophobicContact CG1-CG2 4.47Å; Y1087-V1134 HydrophobicContact CD1-CG2 3.76Å; Y1087-V1134 HydrophobicContact CE1-CG2 3.42Å; Y1087-V1134 VanDerWaalsContact CE1-CG2 3.42Å; F1090-V1134 HydrophobicContact CB-CG1 4.21Å; F1090-V1134 HydrophobicContact CD2-CG1 4.32Å; F1090-V1134 HydrophobicContact CG-CG1 4.49Å; I1130-V1134 HydrophobicContact CG2-CB 4.02Å; I1130-V1134 HydrophobicContact CG2-CG1 3.98Å; P1131-V1134 HydrophobicContact CB-CB 4.46Å; P1131-V1134 HydrophobicContact CB-CG2 4.07Å; P1131-V1134 HydrophobicContact CG-CG2 4.23Å; P1131-V1134 PolarHBondContact O-N 3.29Å; P1131-V1134 VanDerWaalsContact O-N 3.1Å; V1134-R1136 PolarHBondContact O-N 3.01Å; V1134-D1137 PolarHBondContact O-N 3.34Å; V1134-L1138 WeakPolarHBondContact O-CB 3.25Å; V1134-L1138 PolarHBondContact O-N 3.24Å |
| 1135 | I | 92.2 | Very high | 90.9 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 14% | 0.138 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.4 | -48 | 176.4 | -63.5 | 161.8 | 0 | 0 | 0 | 110.6 | F1117 L1126 I1130 P1131 S1132 D1133 H1139 | F1117-I1135 HydrophobicContact CE1-CG1 4.12Å; F1117-I1135 HydrophobicContact CE1-CG2 4.31Å; F1117-I1135 HydrophobicContact CZ-CG1 4.36Å; L1126-I1135 HydrophobicContact CD2-CD1 3.92Å; L1126-I1135 HydrophobicContact CD2-CG1 4.45Å; L1126-I1135 HydrophobicContact CD2-CG2 4.03Å; I1130-I1135 HydrophobicContact CB-CD1 4.2Å; I1130-I1135 HydrophobicContact CB-CG1 4.1Å; I1130-I1135 HydrophobicContact CG2-CD1 4.22Å; I1130-I1135 HydrophobicContact CG2-CG1 3.6Å; P1131-I1135 PolarHBondContact O-N 3.32Å; P1131-I1135 VanDerWaalsContact O-N 3.09Å; S1132-I1135 PolarHBondContact O-N 2.88Å; D1133-I1135 PolarHBondContact O-N 3.48Å; I1135-H1139 WeakPolarHBondContact O-CB 3.43Å; I1135-H1139 PolarHBondContact O-N 3.38Å |
| 1136 | R | 92.5 | Very high | 91.5 | Very high | 127 Ų | 127 | 49.4 Ų | 49.4 | 48% | 0.479 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60 | -47.4 | 178.5 | 178.5 | -167.9 | 67.2 | -152 | -9.4 | 111.3 | S1132 D1133 V1134 H1139 R1140 | S1132-R1136 WeakPolarHBondContact O-CB 3.34Å; S1132-R1136 PolarHBondContact O-N 3.06Å; D1133-R1136 WeakPolarHBondContact O-CB 3.46Å; D1133-R1136 PolarHBondContact O-N 3.5Å; V1134-R1136 PolarHBondContact O-N 3.01Å; R1136-H1139 PolarHBondContact O-N 3.47Å; R1136-R1140 WeakPolarHBondContact O-CG 3.49Å; R1136-R1140 PolarHBondContact O-N 2.84Å |
| 1137 | D | 93.6 | Very high | 91.8 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.4 | -34.2 | -172.2 | -62.3 | -20.6 | 0 | 0 | 0 | 110.8 | F1090 D1133 V1134 R1140 L1141 | F1090-D1137 HydrophobicContact CE2-CB 4.05Å; F1090-D1137 HydrophobicContact CZ-CB 3.9Å; D1133-D1137 WeakPolarHBondContact O-CB 3.44Å; D1133-D1137 PolarHBondContact O-N 2.97Å; V1134-D1137 PolarHBondContact O-N 3.34Å; D1137-R1140 PolarHBondContact O-N 3.13Å; D1137-R1140 IonicContact OD1-NH1 2.84Å; D1137-L1141 WeakPolarHBondContact O-CB 3.49Å; D1137-L1141 PolarHBondContact O-N 3.28Å |
| 1138 | L | 94.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 171 | -160.5 | 90.7 | 0 | 0 | 0 | 112.2 | F1090 I1093 A1113 L1116 F1117 V1134 R1140 L1141 L1142 I1165 | F1090-L1138 HydrophobicContact CD2-CB 4.26Å; F1090-L1138 HydrophobicContact CD2-CD1 3.67Å; F1090-L1138 HydrophobicContact CE2-CB 4.23Å; F1090-L1138 HydrophobicContact CE2-CD1 4.09Å; I1093-L1138 HydrophobicContact CB-CD1 4.44Å; I1093-L1138 HydrophobicContact CD1-CD1 3.77Å; I1093-L1138 HydrophobicContact CG2-CD1 4.08Å; A1113-L1138 HydrophobicContact CB-CD1 4.33Å; A1113-L1138 HydrophobicContact CB-CD2 4.13Å; A1113-L1138 HydrophobicContact CB-CG 4.47Å; L1116-L1138 HydrophobicContact CD1-CD2 4.07Å; F1117-L1138 HydrophobicContact CE2-CD2 3.41Å; F1117-L1138 VanDerWaalsContact CE2-CD2 3.41Å; F1117-L1138 HydrophobicContact CZ-CD2 3.95Å; V1134-L1138 WeakPolarHBondContact O-CB 3.25Å; V1134-L1138 PolarHBondContact O-N 3.24Å; L1138-R1140 VanDerWaalsContact C-N 3.33Å; L1138-R1140 PolarHBondContact O-N 2.95Å; L1138-L1141 PolarHBondContact O-N 3.3Å; L1138-L1142 HydrophobicContact CD2-CD1 4.3Å; L1138-L1142 HydrophobicContact CG-CD1 4.28Å; L1138-L1142 WeakPolarHBondContact O-CB 3.48Å; L1138-L1142 WeakPolarHBondContact O-CG 3.34Å; L1138-L1142 PolarHBondContact O-N 3.23Å; L1138-I1165 HydrophobicContact CD2-CD1 4.24Å |
| 1139 | H | 94.5 | Very high | 92.4 | Very high | 85 Ų | 85 | 52.9 Ų | 52.9 | 39% | 0.394 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 174.1 | 178.3 | -82 | 0 | 0 | 0 | 111.5 | I1135 R1136 S1143 | I1135-H1139 WeakPolarHBondContact O-CB 3.43Å; I1135-H1139 PolarHBondContact O-N 3.38Å; R1136-H1139 PolarHBondContact O-N 3.47Å; H1139-S1143 PolarHBondContact CE1-OG 3.01Å; H1139-S1143 VanDerWaalsContact O-CB 3.26Å; H1139-S1143 WeakPolarHBondContact O-CB 2.92Å; H1139-S1143 PolarHBondContact O-N 3.07Å; H1139-S1143 PolarHBondContact O-OG 2.58Å |
| 1140 | R | 94.6 | Very high | 92.5 | Very high | 149 Ų | 149 | 60.4 Ų | 60.4 | 56% | 0.562 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.2 | -46.9 | 175.2 | -77.2 | 174.6 | 171.2 | 177.7 | -6.1 | 111.9 | R1136 D1137 L1138 S1143 T1144 | R1136-R1140 WeakPolarHBondContact O-CG 3.49Å; R1136-R1140 PolarHBondContact O-N 2.84Å; D1137-R1140 PolarHBondContact O-N 3.13Å; D1137-R1140 IonicContact OD1-NH1 2.84Å; L1138-R1140 VanDerWaalsContact C-N 3.33Å; L1138-R1140 PolarHBondContact O-N 2.95Å; R1140-S1143 PolarHBondContact O-N 3.37Å; R1140-T1144 WeakPolarHBondContact O-CB 3.34Å; R1140-T1144 PolarHBondContact O-N 3.46Å; R1140-T1144 PolarHBondContact O-OG1 2.86Å |
| 1141 | L | 95.5 | Very high | 92.7 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.4 | -52.7 | 177.2 | 174.8 | 67.7 | 0 | 0 | 0 | 111.1 | F1090 I1093 E1094 L1097 D1137 L1138 S1143 T1144 R1145 | F1090-L1141 HydrophobicContact CE2-CD2 4.48Å; I1093-L1141 HydrophobicContact CG2-CD2 3.95Å; E1094-L1141 HydrophobicContact CB-CD2 3.96Å; E1094-L1141 HydrophobicContact CG-CD1 4.14Å; E1094-L1141 HydrophobicContact CG-CD2 4.42Å; L1097-L1141 HydrophobicContact CD2-CD2 4.36Å; L1097-L1141 HydrophobicContact CD2-CG 4.31Å; D1137-L1141 WeakPolarHBondContact O-CB 3.49Å; D1137-L1141 PolarHBondContact O-N 3.28Å; L1138-L1141 PolarHBondContact O-N 3.3Å; L1141-S1143 PolarHBondContact O-N 3.17Å; L1141-T1144 PolarHBondContact O-N 2.92Å; L1141-R1145 HydrophobicContact CD1-CG 4.1Å; L1141-R1145 WeakPolarHBondContact O-CB 3.24Å; L1141-R1145 WeakPolarHBondContact O-CG 3.48Å; L1141-R1145 PolarHBondContact O-N 2.98Å |
| 1142 | L | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | -179.6 | -71.7 | 168.3 | 0 | 0 | 0 | 112 | L1097 A1113 L1138 T1144 R1145 R1146 I1158 A1161 L1162 I1165 | L1097-L1142 HydrophobicContact CD2-CD2 3.88Å; A1113-L1142 HydrophobicContact CB-CD1 4.23Å; A1113-L1142 HydrophobicContact CB-CD2 4.14Å; L1138-L1142 HydrophobicContact CD2-CD1 4.3Å; L1138-L1142 HydrophobicContact CG-CD1 4.28Å; L1138-L1142 WeakPolarHBondContact O-CB 3.48Å; L1138-L1142 WeakPolarHBondContact O-CG 3.34Å; L1138-L1142 PolarHBondContact O-N 3.23Å; L1142-T1144 VanDerWaalsContact C-N 3.35Å; L1142-T1144 PolarHBondContact O-N 2.87Å; L1142-R1145 PolarHBondContact O-N 2.63Å; L1142-R1146 WeakPolarHBondContact O-CB 3.38Å; L1142-R1146 PolarHBondContact O-N 3.4Å; L1142-I1158 HydrophobicContact CB-CG2 4.21Å; L1142-I1158 HydrophobicContact CD2-CB 4.47Å; L1142-I1158 HydrophobicContact CD2-CG1 4.33Å; L1142-I1158 HydrophobicContact CD2-CG2 4.04Å; L1142-I1158 VanDerWaalsContact O-CG2 3.26Å; L1142-I1158 WeakPolarHBondContact O-CG2 3.36Å; L1142-A1161 HydrophobicContact CD1-CB 3.75Å; L1142-A1161 HydrophobicContact CD2-CB 4.15Å; L1142-L1162 HydrophobicContact CB-CD1 4.36Å; L1142-L1162 HydrophobicContact CB-CD2 3.66Å; L1142-L1162 HydrophobicContact CB-CG 3.86Å; L1142-L1162 HydrophobicContact CD1-CD2 4.43Å; L1142-I1165 HydrophobicContact CD1-CD1 3.67Å |
| 1143 | S | 95.2 | Very high | 92.6 | Very high | 32 Ų | 32 | 63.6 Ų | 63.6 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 177 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | H1139 R1140 L1141 R1146 | H1139-S1143 PolarHBondContact CE1-OG 3.01Å; H1139-S1143 VanDerWaalsContact O-CB 3.26Å; H1139-S1143 WeakPolarHBondContact O-CB 2.92Å; H1139-S1143 PolarHBondContact O-N 3.07Å; H1139-S1143 PolarHBondContact O-OG 2.58Å; R1140-S1143 PolarHBondContact O-N 3.37Å; L1141-S1143 PolarHBondContact O-N 3.17Å; S1143-R1146 PolarHBondContact O-N 3.1Å |
| 1144 | T | 93.9 | Very high | 92.7 | Very high | 79 Ų | 79 | 61.2 Ų | 61.2 | 49% | 0.485 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 177.9 | -52.4 | 0 | 0 | 0 | 0 | 110.6 | R1140 L1141 L1142 R1146 V1147 I1148 | R1140-T1144 WeakPolarHBondContact O-CB 3.34Å; R1140-T1144 PolarHBondContact O-N 3.46Å; R1140-T1144 PolarHBondContact O-OG1 2.86Å; L1141-T1144 PolarHBondContact O-N 2.92Å; L1142-T1144 VanDerWaalsContact C-N 3.35Å; L1142-T1144 PolarHBondContact O-N 2.87Å; T1144-R1146 VanDerWaalsContact C-N 3.34Å; T1144-R1146 PolarHBondContact O-N 3.36Å; T1144-V1147 PolarHBondContact O-N 2.87Å; T1144-I1148 HydrophobicContact CG2-CD1 3.88Å; T1144-I1148 WeakPolarHBondContact O-CG1 3.23Å; T1144-I1148 PolarHBondContact O-N 3.3Å |
| 1145 | R | 93.2 | Very high | 92.7 | Very high | 34 Ų | 34 | 63.6 Ų | 63.6 | 13% | 0.128 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.4 | -30.7 | 179.1 | -70.9 | -58.1 | -52.1 | 179.3 | -0.2 | 113.1 | L1097 L1141 L1142 V1147 I1148 E1149 I1158 | L1097-R1145 HydrophobicContact CD2-CB 4.13Å; L1097-R1145 HydrophobicContact CD2-CG 3.94Å; L1097-R1145 HydrophobicContact CG-CB 4.33Å; L1097-R1145 HydrophobicContact CG-CG 3.98Å; L1097-R1145 VanDerWaalsContact O-CZ 3.31Å; L1097-R1145 PolarHBondContact O-NE 3.28Å; L1097-R1145 VanDerWaalsContact O-NE 3.11Å; L1097-R1145 PolarHBondContact O-NH2 3.5Å; L1141-R1145 HydrophobicContact CD1-CG 4.1Å; L1141-R1145 WeakPolarHBondContact O-CB 3.24Å; L1141-R1145 WeakPolarHBondContact O-CG 3.48Å; L1141-R1145 PolarHBondContact O-N 2.98Å; L1142-R1145 PolarHBondContact O-N 2.63Å; R1145-V1147 PolarHBondContact O-N 3.08Å; R1145-I1148 PolarHBondContact O-N 3.29Å; R1145-E1149 IonicContact CZ-OE2 3.86Å; R1145-E1149 IonicContact NH2-OE2 2.74Å; R1145-E1149 PolarHBondContact NH2-OE2 2.94Å; R1145-E1149 WeakPolarHBondContact O-CB 3.16Å; R1145-E1149 PolarHBondContact O-N 2.71Å; R1145-I1158 HydrophobicContact CB-CD1 3.97Å |
| 1146 | R | 93.4 | Very high | 92.7 | Very high | 82 Ų | 82 | 68.2 Ų | 68.2 | 31% | 0.309 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.3 | -34.7 | 174.9 | -172.8 | -176.9 | 64.2 | -178.4 | -1.5 | 112.7 | L1142 S1143 T1144 I1158 E1159 L1162 | L1142-R1146 WeakPolarHBondContact O-CB 3.38Å; L1142-R1146 PolarHBondContact O-N 3.4Å; S1143-R1146 PolarHBondContact O-N 3.1Å; T1144-R1146 VanDerWaalsContact C-N 3.34Å; T1144-R1146 PolarHBondContact O-N 3.36Å; R1146-I1158 HydrophobicContact CB-CG2 3.87Å; R1146-E1159 HydrophobicContact CG-CG 4.22Å; R1146-L1162 HydrophobicContact CB-CD1 4.4Å |
| 1147 | V | 91.2 | Very high | 92.6 | Very high | 112 Ų | 112 | 63.7 Ų | 63.7 | 68% | 0.679 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -82 | -30 | -179.1 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | T1144 R1145 | T1144-V1147 PolarHBondContact O-N 2.87Å; R1145-V1147 PolarHBondContact O-N 3.08Å |
| 1148 | I | 90.2 | Very high | 92.8 | Very high | 96 Ų | 96 | 61.5 Ų | 61.5 | 49% | 0.492 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -92 | -29.7 | -173.5 | -59.3 | 169.5 | 0 | 0 | 0 | 112.4 | T1144 R1145 K1150 | T1144-I1148 HydrophobicContact CG2-CD1 3.88Å; T1144-I1148 WeakPolarHBondContact O-CG1 3.23Å; T1144-I1148 PolarHBondContact O-N 3.3Å; R1145-I1148 PolarHBondContact O-N 3.29Å; I1148-K1150 PolarHBondContact O-N 3.39Å |
| 1149 | E | 91.7 | Very high | 92.8 | Very high | 11 Ų | 11 | 65.8 Ų | 65.8 | 5% | 0.051 | 32% | 0.321 | C | S | . | . | trans | -69.2 | 129.1 | -172.6 | -171.8 | 58.3 | -116.4 | 0 | 0 | 112.2 | R1106 R1145 D1151 V1154 I1158 | R1106-E1149 WeakPolarHBondContact CD-OE2 3.24Å; R1106-E1149 IonicContact CZ-OE1 3.79Å; R1106-E1149 IonicContact CZ-OE2 3.97Å; R1106-E1149 VanDerWaalsContact NE-CD 3.3Å; R1106-E1149 IonicContact NE-OE1 2.81Å; R1106-E1149 PolarHBondContact NE-OE1 3.14Å; R1106-E1149 VanDerWaalsContact NE-OE1 3.09Å; R1106-E1149 IonicContact NE-OE2 3.96Å; R1106-E1149 PolarHBondContact NE-OE2 2.97Å; R1106-E1149 IonicContact NH2-OE1 3.97Å; R1106-E1149 PolarHBondContact NH2-OE1 3.46Å; R1106-E1149 IonicContact NH2-OE2 3.05Å; R1145-E1149 IonicContact CZ-OE2 3.86Å; R1145-E1149 IonicContact NH2-OE2 2.74Å; R1145-E1149 PolarHBondContact NH2-OE2 2.94Å; R1145-E1149 WeakPolarHBondContact O-CB 3.16Å; R1145-E1149 PolarHBondContact O-N 2.71Å; E1149-D1151 PolarHBondContact OE1-N 3.45Å; E1149-V1154 HydrophobicContact CG-CB 3.7Å; E1149-V1154 HydrophobicContact CG-CG1 3.66Å; E1149-I1158 HydrophobicContact CB-CD1 4.13Å; E1149-I1158 HydrophobicContact CG-CD1 4.25Å | ||
| 1150 | K | 87.9 | Confident | 92.7 | Very high | 178 Ų | 178 | 63.6 Ų | 63.6 | 77% | 0.774 | 32% | 0.315 | S | S | * | . | trans | -96.4 | -23.5 | -177.5 | -61.4 | -176.2 | 179.7 | -176 | 0 | 113.2 | I1148 | I1148-K1150 PolarHBondContact O-N 3.39Š| ||
| 1151 | D | 93.9 | Very high | 92.7 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 21% | 0.209 | 29% | 0.288 | C | S | . | . | trans | -84.2 | 117 | -178.5 | -172.2 | -83.4 | 0 | 0 | 0 | 111 | N1103 E1149 S1153 V1154 Q1155 | N1103-D1151 HydrophobicContact CB-CB 3.95Å; N1103-D1151 PolarHBondContact ND2-OD2 3.47Å; E1149-D1151 PolarHBondContact OE1-N 3.45Å; D1151-S1153 PolarHBondContact O-N 3.42Å; D1151-S1153 WeakPolarHBondContact OD1-CA 3.37Å; D1151-S1153 VanDerWaalsContact OD1-CB 3.29Å; D1151-S1153 WeakPolarHBondContact OD1-CB 3.33Å; D1151-S1153 PolarHBondContact OD1-N 3.48Å; D1151-S1153 PolarHBondContact OD1-OG 2.84Å; D1151-V1154 HydrophobicContact CB-CB 4.3Å; D1151-V1154 HydrophobicContact CB-CG2 3.86Å; D1151-V1154 PolarHBondContact O-N 3.38Å; D1151-V1154 VanDerWaalsContact O-N 3.08Å; D1151-V1154 PolarHBondContact OD1-N 3.33Å; D1151-Q1155 PolarHBondContact O-N 3.29Å | ||
| 1152 | L | 89.3 | Confident | 92.7 | Very high | 128 Ų | 128 | 56.3 Ų | 56.3 | 67% | 0.67 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -54 | -38.9 | -179 | -72.9 | 167.1 | 0 | 0 | 0 | 112.7 | V1154 Q1155 E1156 | L1152-V1154 VanDerWaalsContact C-N 3.29Å; L1152-V1154 PolarHBondContact O-N 2.94Å; L1152-Q1155 PolarHBondContact O-N 3.09Å; L1152-E1156 WeakPolarHBondContact O-CG 3.19Å; L1152-E1156 PolarHBondContact O-N 3.46Å |
| 1153 | S | 87 | Confident | 92.5 | Very high | 36 Ų | 36 | 59.2 Ų | 59.2 | 25% | 0.252 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.3 | -25.9 | -175.9 | 83.8 | 0 | 0 | 0 | 0 | 112.8 | K1107 D1151 | K1107-S1153 WeakPolarHBondContact CE-O 3.39Å; D1151-S1153 PolarHBondContact O-N 3.42Å; D1151-S1153 WeakPolarHBondContact OD1-CA 3.37Å; D1151-S1153 VanDerWaalsContact OD1-CB 3.29Å; D1151-S1153 WeakPolarHBondContact OD1-CB 3.33Å; D1151-S1153 PolarHBondContact OD1-N 3.48Å; D1151-S1153 PolarHBondContact OD1-OG 2.84Å |
| 1154 | V | 92.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -78.4 | -44.4 | 171.3 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | L1097 N1103 R1106 K1107 E1149 D1151 L1152 E1156 Q1157 I1158 | L1097-V1154 HydrophobicContact CD1-CG1 4.35Å; N1103-V1154 HydrophobicContact CB-CG2 4.02Å; N1103-V1154 WeakPolarHBondContact O-CG2 3.45Å; R1106-V1154 HydrophobicContact CB-CG1 3.81Å; R1106-V1154 HydrophobicContact CB-CG2 4.05Å; K1107-V1154 HydrophobicContact CB-CG2 4.02Å; E1149-V1154 HydrophobicContact CG-CB 3.7Å; E1149-V1154 HydrophobicContact CG-CG1 3.66Å; D1151-V1154 HydrophobicContact CB-CB 4.3Å; D1151-V1154 HydrophobicContact CB-CG2 3.86Å; D1151-V1154 PolarHBondContact O-N 3.38Å; D1151-V1154 VanDerWaalsContact O-N 3.08Å; D1151-V1154 PolarHBondContact OD1-N 3.33Å; L1152-V1154 VanDerWaalsContact C-N 3.29Å; L1152-V1154 PolarHBondContact O-N 2.94Å; V1154-E1156 PolarHBondContact O-N 3.45Å; V1154-Q1157 PolarHBondContact O-N 2.91Å; V1154-I1158 HydrophobicContact CG1-CD1 3.96Å; V1154-I1158 HydrophobicContact CG1-CG1 4.37Å; V1154-I1158 WeakPolarHBondContact O-CG1 3.5Å; V1154-I1158 PolarHBondContact O-N 2.99Å |
| 1155 | Q | 93.7 | Very high | 92.2 | Very high | 55 Ų | 55 | 55.4 Ų | 55.4 | 26% | 0.257 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | 179.8 | -167.8 | 177.5 | 2.8 | 0 | 0 | 111.9 | D1151 L1152 Q1157 I1158 E1159 | D1151-Q1155 PolarHBondContact O-N 3.29Å; L1152-Q1155 PolarHBondContact O-N 3.09Å; Q1155-Q1157 PolarHBondContact O-N 2.87Å; Q1155-I1158 PolarHBondContact O-N 3.34Å; Q1155-I1158 VanDerWaalsContact O-N 3.13Å; Q1155-E1159 WeakPolarHBondContact O-CG 3.37Å; Q1155-E1159 PolarHBondContact O-N 3.44Å |
| 1156 | E | 92.2 | Very high | 92 | Very high | 123 Ų | 123 | 56.8 Ų | 56.8 | 58% | 0.575 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -55 | -37.8 | 174 | -77.1 | 177.3 | 173.1 | 0 | 0 | 112.5 | L1152 V1154 S1160 | L1152-E1156 WeakPolarHBondContact O-CG 3.19Å; L1152-E1156 PolarHBondContact O-N 3.46Å; V1154-E1156 PolarHBondContact O-N 3.45Å; E1156-S1160 WeakPolarHBondContact O-CB 3.17Å; E1156-S1160 PolarHBondContact O-N 3.5Å; E1156-S1160 PolarHBondContact O-OG 3.5Å |
| 1157 | Q | 90.9 | Very high | 91.8 | Very high | 32 Ų | 32 | 56.5 Ų | 56.5 | 15% | 0.15 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -78 | -34.7 | 177.2 | -88.1 | -63.9 | 49.7 | 0 | 0 | 113.9 | K1107 A1110 R1114 V1154 Q1155 E1159 S1160 A1161 | K1107-Q1157 HydrophobicContact CG-CB 4.41Å; K1107-Q1157 HydrophobicContact CG-CG 4.1Å; A1110-Q1157 HydrophobicContact CB-CB 3.9Å; R1114-Q1157 VanDerWaalsContact NH1-OE1 3.11Å; V1154-Q1157 PolarHBondContact O-N 2.91Å; Q1155-Q1157 PolarHBondContact O-N 2.87Å; Q1157-E1159 VanDerWaalsContact C-N 3.33Å; Q1157-S1160 PolarHBondContact O-N 3.11Å; Q1157-A1161 WeakPolarHBondContact O-CB 3.27Å; Q1157-A1161 PolarHBondContact O-N 2.86Å |
| 1158 | I | 96.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 172.1 | -67.9 | 170 | 0 | 0 | 0 | 109.7 | L1097 A1110 L1142 R1145 R1146 E1149 V1154 Q1155 S1160 A1161 L1162 | L1097-I1158 HydrophobicContact CD1-CD1 4.18Å; L1097-I1158 HydrophobicContact CD1-CG1 4.28Å; A1110-I1158 HydrophobicContact CB-CG1 3.89Å; L1142-I1158 HydrophobicContact CB-CG2 4.21Å; L1142-I1158 HydrophobicContact CD2-CB 4.47Å; L1142-I1158 HydrophobicContact CD2-CG1 4.33Å; L1142-I1158 HydrophobicContact CD2-CG2 4.04Å; L1142-I1158 VanDerWaalsContact O-CG2 3.26Å; L1142-I1158 WeakPolarHBondContact O-CG2 3.36Å; R1145-I1158 HydrophobicContact CB-CD1 3.97Å; R1146-I1158 HydrophobicContact CB-CG2 3.87Å; E1149-I1158 HydrophobicContact CB-CD1 4.13Å; E1149-I1158 HydrophobicContact CG-CD1 4.25Å; V1154-I1158 HydrophobicContact CG1-CD1 3.96Å; V1154-I1158 HydrophobicContact CG1-CG1 4.37Å; V1154-I1158 WeakPolarHBondContact O-CG1 3.5Å; V1154-I1158 PolarHBondContact O-N 2.99Å; Q1155-I1158 PolarHBondContact O-N 3.34Å; Q1155-I1158 VanDerWaalsContact O-N 3.13Å; I1158-S1160 PolarHBondContact O-N 3.48Å; I1158-A1161 WeakPolarHBondContact O-CB 3.24Å; I1158-A1161 PolarHBondContact O-N 3.05Å; I1158-L1162 HydrophobicContact CG2-CD1 4.16Å; I1158-L1162 PolarHBondContact O-N 3.03Å |
| 1159 | E | 95.8 | Very high | 91.4 | Very high | 92 Ų | 92 | 48.5 Ų | 48.5 | 43% | 0.43 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 177.6 | -72.1 | -178.4 | 175.5 | 0 | 0 | 112.1 | R1146 Q1155 Q1157 A1161 L1162 A1163 | R1146-E1159 HydrophobicContact CG-CG 4.22Å; Q1155-E1159 WeakPolarHBondContact O-CG 3.37Å; Q1155-E1159 PolarHBondContact O-N 3.44Å; Q1157-E1159 VanDerWaalsContact C-N 3.33Å; E1159-A1161 VanDerWaalsContact C-N 3.3Å; E1159-A1161 PolarHBondContact O-N 2.99Å; E1159-L1162 PolarHBondContact O-N 2.75Å; E1159-A1163 WeakPolarHBondContact O-CB 3.47Å; E1159-A1163 PolarHBondContact O-N 3.28Å |
| 1160 | S | 92.9 | Very high | 91 | Very high | 39 Ų | 39 | 54 Ų | 54 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 173.7 | -65.6 | 0 | 0 | 0 | 0 | 112.8 | R1114 E1156 Q1157 I1158 Q1164 | R1114-S1160 VanDerWaalsContact NH1-CB 3.28Å; E1156-S1160 WeakPolarHBondContact O-CB 3.17Å; E1156-S1160 PolarHBondContact O-N 3.5Å; E1156-S1160 PolarHBondContact O-OG 3.5Å; Q1157-S1160 PolarHBondContact O-N 3.11Å; I1158-S1160 PolarHBondContact O-N 3.48Å; S1160-Q1164 WeakPolarHBondContact O-CB 3.16Å; S1160-Q1164 PolarHBondContact O-N 2.82Å; S1160-Q1164 VanDerWaalsContact O-N 3.14Å |
| 1161 | A | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.6 | -46.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1114 L1142 Q1157 I1158 E1159 A1163 Q1164 I1165 | R1114-A1161 HydrophobicContact CB-CB 3.76Å; R1114-A1161 HydrophobicContact CG-CB 4.41Å; L1142-A1161 HydrophobicContact CD1-CB 3.75Å; L1142-A1161 HydrophobicContact CD2-CB 4.15Å; Q1157-A1161 WeakPolarHBondContact O-CB 3.27Å; Q1157-A1161 PolarHBondContact O-N 2.86Å; I1158-A1161 WeakPolarHBondContact O-CB 3.24Å; I1158-A1161 PolarHBondContact O-N 3.05Å; E1159-A1161 VanDerWaalsContact C-N 3.3Å; E1159-A1161 PolarHBondContact O-N 2.99Å; A1161-A1163 PolarHBondContact O-N 3.14Å; A1161-Q1164 PolarHBondContact O-N 2.88Å; A1161-I1165 WeakPolarHBondContact O-CG1 3.49Å; A1161-I1165 PolarHBondContact O-N 2.81Å |
| 1162 | L | 95.6 | Very high | 89.7 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 176.1 | -74.4 | 168.8 | 0 | 0 | 0 | 111.9 | L1142 R1146 I1158 E1159 Q1164 I1165 D1166 | L1142-L1162 HydrophobicContact CB-CD1 4.36Å; L1142-L1162 HydrophobicContact CB-CD2 3.66Å; L1142-L1162 HydrophobicContact CB-CG 3.86Å; L1142-L1162 HydrophobicContact CD1-CD2 4.43Å; R1146-L1162 HydrophobicContact CB-CD1 4.4Å; I1158-L1162 HydrophobicContact CG2-CD1 4.16Å; I1158-L1162 PolarHBondContact O-N 3.03Å; E1159-L1162 PolarHBondContact O-N 2.75Å; L1162-Q1164 VanDerWaalsContact C-N 3.29Å; L1162-Q1164 PolarHBondContact O-N 2.52Å; L1162-I1165 PolarHBondContact O-N 3.24Å; L1162-D1166 WeakPolarHBondContact O-CB 3.44Å; L1162-D1166 PolarHBondContact O-N 2.84Å |
| 1163 | A | 92.2 | Very high | 88.9 | Confident | 61 Ų | 61 | 47 Ų | 47 | 50% | 0.504 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.5 | -38 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1159 A1161 D1166 L1167 | E1159-A1163 WeakPolarHBondContact O-CB 3.47Å; E1159-A1163 PolarHBondContact O-N 3.28Å; A1161-A1163 PolarHBondContact O-N 3.14Å; A1163-D1166 PolarHBondContact O-N 3.27Å; A1163-L1167 VanDerWaalsContact O-CB 3.26Å; A1163-L1167 WeakPolarHBondContact O-CB 3.17Å; A1163-L1167 PolarHBondContact O-N 3.47Å |
| 1164 | Q | 91.2 | Very high | 87.9 | Confident | 27 Ų | 27 | 52.4 Ų | 52.4 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 176.5 | -167.6 | 65.5 | 31.5 | 0 | 0 | 111.7 | R1114 F1117 L1118 S1160 A1161 L1162 L1167 C1168 | R1114-Q1164 HydrophobicContact CG-CB 4.3Å; F1117-Q1164 HydrophobicContact CB-CB 4.42Å; F1117-Q1164 HydrophobicContact CB-CG 3.67Å; F1117-Q1164 WeakPolarHBondContact O-CG 3.2Å; F1117-Q1164 PolarHBondContact O-NE2 3.02Å; L1118-Q1164 HydrophobicContact CD2-CG 4.36Å; L1118-Q1164 HydrophobicContact CG-CG 4.5Å; S1160-Q1164 WeakPolarHBondContact O-CB 3.16Å; S1160-Q1164 PolarHBondContact O-N 2.82Å; S1160-Q1164 VanDerWaalsContact O-N 3.14Å; A1161-Q1164 PolarHBondContact O-N 2.88Å; L1162-Q1164 VanDerWaalsContact C-N 3.29Å; L1162-Q1164 PolarHBondContact O-N 2.52Å; Q1164-L1167 PolarHBondContact O-N 2.97Å; Q1164-C1168 WeakPolarHBondContact O-CB 3.34Å; Q1164-C1168 PolarHBondContact O-N 3.35Å |
| 1165 | I | 91.7 | Very high | 86.2 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 175 | -66.2 | 167.8 | 0 | 0 | 0 | 110.4 | F1117 L1138 L1142 A1161 L1162 L1167 C1168 T1169 | F1117-I1165 HydrophobicContact CD1-CG1 4.06Å; F1117-I1165 HydrophobicContact CD2-CD1 4.18Å; F1117-I1165 HydrophobicContact CD2-CG1 3.53Å; F1117-I1165 HydrophobicContact CE1-CG1 4.05Å; F1117-I1165 HydrophobicContact CE2-CD1 3.8Å; F1117-I1165 HydrophobicContact CE2-CG1 3.55Å; F1117-I1165 HydrophobicContact CG-CG1 3.81Å; F1117-I1165 HydrophobicContact CZ-CD1 4.12Å; F1117-I1165 HydrophobicContact CZ-CG1 3.81Å; L1138-I1165 HydrophobicContact CD2-CD1 4.24Å; L1142-I1165 HydrophobicContact CD1-CD1 3.67Å; A1161-I1165 WeakPolarHBondContact O-CG1 3.49Å; A1161-I1165 PolarHBondContact O-N 2.81Å; L1162-I1165 PolarHBondContact O-N 3.24Å; I1165-L1167 PolarHBondContact O-N 2.9Å; I1165-C1168 PolarHBondContact O-N 2.83Å; I1165-T1169 WeakPolarHBondContact O-CB 3.49Å; I1165-T1169 PolarHBondContact O-N 3.14Å; I1165-T1169 PolarHBondContact O-OG1 3.05Å |
| 1166 | D | 89.4 | Confident | 84.4 | Confident | 63 Ų | 63 | 65.1 Ų | 65.1 | 34% | 0.337 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | -179.1 | -162.4 | 33.5 | 0 | 0 | 0 | 111.3 | L1162 A1163 T1169 R1170 | L1162-D1166 WeakPolarHBondContact O-CB 3.44Å; L1162-D1166 PolarHBondContact O-N 2.84Å; A1163-D1166 PolarHBondContact O-N 3.27Å; D1166-T1169 PolarHBondContact O-N 3.25Å; D1166-R1170 WeakPolarHBondContact O-CG 3.5Å; D1166-R1170 PolarHBondContact O-N 3.1Å; D1166-R1170 IonicContact OD1-NE 3.9Å; D1166-R1170 IonicContact OD2-CZ 2.99Å; D1166-R1170 IonicContact OD2-NE 2.62Å; D1166-R1170 PolarHBondContact OD2-NE 3.39Å; D1166-R1170 IonicContact OD2-NH2 2.74Å; D1166-R1170 PolarHBondContact OD2-NH2 3.33Å |
| 1167 | L | 88.2 | Confident | 82.4 | Confident | 75 Ų | 75 | 62.2 Ų | 62.2 | 39% | 0.393 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 175.1 | -177.4 | 142.1 | 0 | 0 | 0 | 111.9 | T1124 A1163 Q1164 I1165 T1169 R1170 N1171 | T1124-L1167 HydrophobicContact CG2-CD2 3.65Å; A1163-L1167 VanDerWaalsContact O-CB 3.26Å; A1163-L1167 WeakPolarHBondContact O-CB 3.17Å; A1163-L1167 PolarHBondContact O-N 3.47Å; Q1164-L1167 PolarHBondContact O-N 2.97Å; I1165-L1167 PolarHBondContact O-N 2.9Å; L1167-T1169 VanDerWaalsContact C-N 3.35Å; L1167-T1169 PolarHBondContact O-N 3.07Å; L1167-R1170 PolarHBondContact O-N 3.3Å; L1167-N1171 PolarHBondContact O-N 3.27Å; L1167-N1171 PolarHBondContact O-ND2 2.99Å |
| 1168 | C | 87.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | 174.8 | -78.9 | 0 | 0 | 0 | 0 | 112.6 | F1117 T1124 E1125 L1126 Q1164 I1165 T1172 | F1117-C1168 PolarHBondContact O-SG 3.41Å; F1117-C1168 VanDerWaalsContact O-SG 3.41Å; T1124-C1168 WeakPolarHBondContact O-CA 3.25Å; E1125-C1168 PolarHBondContact O-SG 3.24Å; E1125-C1168 VanDerWaalsContact O-SG 3.35Å; L1126-C1168 HydrophobicContact CD2-CB 4.23Å; L1126-C1168 HydrophobicContact CG-CB 4.13Å; L1126-C1168 PolarHBondContact N-O 3.47Å; Q1164-C1168 WeakPolarHBondContact O-CB 3.34Å; Q1164-C1168 PolarHBondContact O-N 3.35Å; I1165-C1168 PolarHBondContact O-N 2.83Å; C1168-T1172 PolarHBondContact O-N 3.21Å; C1168-T1172 PolarHBondContact O-OG1 3.27Å |
| 1169 | T | 85.9 | Confident | 78.6 | Confident | 41 Ų | 41 | 69.9 Ų | 69.9 | 25% | 0.252 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | -179.8 | -55.9 | 0 | 0 | 0 | 0 | 111 | L1126 I1165 D1166 L1167 N1171 T1172 V1173 | L1126-T1169 HydrophobicContact CD1-CG2 4.29Å; I1165-T1169 WeakPolarHBondContact O-CB 3.49Å; I1165-T1169 PolarHBondContact O-N 3.14Å; I1165-T1169 PolarHBondContact O-OG1 3.05Å; D1166-T1169 PolarHBondContact O-N 3.25Å; L1167-T1169 VanDerWaalsContact C-N 3.35Å; L1167-T1169 PolarHBondContact O-N 3.07Å; T1169-N1171 VanDerWaalsContact C-N 3.35Å; T1169-N1171 PolarHBondContact O-N 3.39Å; T1169-T1172 PolarHBondContact O-N 3.02Å; T1169-T1172 PolarHBondContact O-OG1 3.45Å; T1169-V1173 HydrophobicContact CG2-CG2 3.88Å; T1169-V1173 WeakPolarHBondContact O-CB 3.12Å; T1169-V1173 WeakPolarHBondContact O-CG2 2.92Å; T1169-V1173 PolarHBondContact O-N 3.4Å |
| 1170 | R | 82.4 | Confident | 76.9 | Confident | 127 Ų | 127 | 71.2 Ų | 71.2 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 179.7 | -74.9 | -179.7 | -164.6 | -176.3 | 6.8 | 112.5 | D1166 L1167 T1172 F1174 | D1166-R1170 WeakPolarHBondContact O-CG 3.5Å; D1166-R1170 PolarHBondContact O-N 3.1Å; D1166-R1170 IonicContact OD1-NE 3.9Å; D1166-R1170 IonicContact OD2-CZ 2.99Å; D1166-R1170 IonicContact OD2-NE 2.62Å; D1166-R1170 PolarHBondContact OD2-NE 3.39Å; D1166-R1170 IonicContact OD2-NH2 2.74Å; D1166-R1170 PolarHBondContact OD2-NH2 3.33Å; L1167-R1170 PolarHBondContact O-N 3.3Å; R1170-T1172 VanDerWaalsContact C-N 3.32Å; R1170-T1172 PolarHBondContact O-N 3.07Å; R1170-F1174 HydrophobicContact CB-CD2 4.2Å; R1170-F1174 HydrophobicContact CG-CD2 4.2Å; R1170-F1174 HydrophobicContact CG-CE2 4.34Å; R1170-F1174 CarbonylContact O-C 3.56Å; R1170-F1174 WeakPolarHBondContact O-CA 3.32Å; R1170-F1174 VanDerWaalsContact O-CB 3.24Å; R1170-F1174 WeakPolarHBondContact O-CB 3.25Å; R1170-F1174 PolarHBondContact O-N 3.46Å |
| 1171 | N | 77.5 | Confident | 75.3 | Confident | 61 Ų | 61 | 73.9 Ų | 73.9 | 33% | 0.326 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -73 | -23.6 | -178.3 | -68.1 | -30.3 | 0 | 0 | 0 | 113.6 | T1124 E1125 L1167 T1169 | T1124-N1171 WeakPolarHBondContact O-CB 3.47Å; T1124-N1171 PolarHBondContact O-ND2 3.22Å; T1124-N1171 PolarHBondContact OG1-ND2 3.13Å; E1125-N1171 HydrophobicContact CG-CB 4.41Å; L1167-N1171 PolarHBondContact O-N 3.27Å; L1167-N1171 PolarHBondContact O-ND2 2.99Å; T1169-N1171 VanDerWaalsContact C-N 3.35Å; T1169-N1171 PolarHBondContact O-N 3.39Å |
| 1172 | T | 77.4 | Confident | 73.5 | Confident | 41 Ų | 41 | 78.8 Ų | 78.8 | 25% | 0.252 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -90.2 | -43.9 | 176.7 | 32.8 | 0 | 0 | 0 | 0 | 113.4 | E1125 L1126 C1168 T1169 R1170 | E1125-T1172 HydrophobicContact CB-CG2 3.45Å; E1125-T1172 VanDerWaalsContact CB-CG2 3.45Å; E1125-T1172 HydrophobicContact CG-CG2 3.71Å; L1126-T1172 HydrophobicContact CB-CG2 3.89Å; L1126-T1172 WeakPolarHBondContact CD1-OG1 3.37Å; L1126-T1172 WeakPolarHBondContact CG-OG1 3.15Å; C1168-T1172 PolarHBondContact O-N 3.21Å; C1168-T1172 PolarHBondContact O-OG1 3.27Å; T1169-T1172 PolarHBondContact O-N 3.02Å; T1169-T1172 PolarHBondContact O-OG1 3.45Å; R1170-T1172 VanDerWaalsContact C-N 3.32Å; R1170-T1172 PolarHBondContact O-N 3.07Å |
| 1173 | V | 73.2 | Confident | 71.6 | Confident | 94 Ų | 94 | 84 Ų | 84 | 57% | 0.57 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -78.9 | -38 | -177.9 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | T1169 | T1169-V1173 HydrophobicContact CG2-CG2 3.88Å; T1169-V1173 WeakPolarHBondContact O-CB 3.12Å; T1169-V1173 WeakPolarHBondContact O-CG2 2.92Å; T1169-V1173 PolarHBondContact O-N 3.4Å |
| 1174 | F | 66.8 | Low | 70 | Confident | 150 Ų | 150 | 87.7 Ų | 87.7 | 66% | 0.658 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -103.6 | 77.4 | 176.3 | -50.6 | -72.7 | 0 | 0 | 0 | 109.9 | R1170 K1176 | R1170-F1174 HydrophobicContact CB-CD2 4.2Å; R1170-F1174 HydrophobicContact CG-CD2 4.2Å; R1170-F1174 HydrophobicContact CG-CE2 4.34Å; R1170-F1174 CarbonylContact O-C 3.56Å; R1170-F1174 WeakPolarHBondContact O-CA 3.32Å; R1170-F1174 VanDerWaalsContact O-CB 3.24Å; R1170-F1174 WeakPolarHBondContact O-CB 3.25Å; R1170-F1174 PolarHBondContact O-N 3.46Å; F1174-K1176 PolarHBondContact O-N 3.4Å |
| 1175 | L | 56.2 | Low | 68.3 | Low | 135 Ų | 135 | 95.2 Ų | 95.2 | 71% | 0.707 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 131.9 | 170.6 | -71.6 | 167.4 | 0 | 0 | 0 | 109.7 | ||
| 1176 | K | 54.9 | Low | 66.3 | Low | 188 Ų | 188 | 102 Ų | 102 | 82% | 0.817 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 130.3 | 169.3 | -79 | -179.8 | 178.4 | 175 | 0 | 107.8 | F1174 D1178 | F1174-K1176 PolarHBondContact O-N 3.4Å; K1176-D1178 PolarHBondContact O-N 3.43Å |
| 1177 | P | 51.6 | Low | 64.9 | Low | 62 Ų | 62 | 105.1 Ų | 105.1 | 40% | 0.403 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 130.8 | 179.3 | 25.8 | -33.7 | 0 | 0 | 0 | 109.8 | S1179 L1183 | P1177-S1179 PolarHBondContact O-N 3.1Å; P1177-L1183 HydrophobicContact CB-CD2 4.36Å; P1177-L1183 HydrophobicContact CB-CG 4.13Å; P1177-L1183 HydrophobicContact CG-CD1 3.96Å; P1177-L1183 HydrophobicContact CG-CD2 3.97Å; P1177-L1183 HydrophobicContact CG-CG 3.84Å |
| 1178 | D | 55.6 | Low | 63 | Low | 160 Ų | 160 | 108.3 Ų | 108.3 | 86% | 0.856 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -56.5 | -21.7 | -179 | -64 | -38.8 | 0 | 0 | 0 | 113.3 | K1176 | K1176-D1178 PolarHBondContact O-N 3.43Š|
| 1179 | S | 51.4 | Low | 61.9 | Low | 33 Ų | 33 | 113.6 Ų | 113.6 | 23% | 0.231 | 59% | 0.585 | C | S | . | * | S | Bend | trans | -153.2 | 148.4 | 172.7 | 63.3 | 0 | 0 | 0 | 0 | 110.6 | P1177 S1181 N1182 | P1177-S1179 PolarHBondContact O-N 3.1Å; S1179-S1181 WeakPolarHBondContact CB-OG 3.32Å; S1179-S1181 PolarHBondContact O-N 3.41Å; S1179-S1181 PolarHBondContact OG-OG 2.76Å; S1179-N1182 PolarHBondContact O-N 3.19Å; S1179-N1182 VanDerWaalsContact O-N 3.07Å |
| 1180 | P | 60.2 | Low | 59.8 | Low | 119 Ų | 119 | 118.3 Ų | 118.3 | 77% | 0.773 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -59.9 | -17 | 177.1 | 22.8 | -32 | 0 | 0 | 0 | 113.5 | ||
| 1181 | S | 58.2 | Low | 58.1 | Low | 96 Ų | 96 | 117.2 Ų | 117.2 | 67% | 0.671 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -74.7 | -17.8 | 175.4 | 38.3 | 0 | 0 | 0 | 0 | 115.1 | S1179 L1183 | S1179-S1181 WeakPolarHBondContact CB-OG 3.32Å; S1179-S1181 PolarHBondContact O-N 3.41Å; S1179-S1181 PolarHBondContact OG-OG 2.76Å; S1181-L1183 VanDerWaalsContact C-N 3.35Å |
| 1182 | N | 57 | Low | 57 | Low | 102 Ų | 102 | 121.1 Ų | 121.1 | 55% | 0.545 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -87.4 | -2.1 | -178.7 | -71.1 | -8.1 | 0 | 0 | 0 | 113.5 | S1179 I1184 | S1179-N1182 PolarHBondContact O-N 3.19Å; S1179-N1182 VanDerWaalsContact O-N 3.07Å; N1182-I1184 PolarHBondContact O-N 3.46Å; N1182-I1184 VanDerWaalsContact O-N 3.1Å |
| 1183 | L | 56.1 | Low | 56 | Low | 125 Ų | 125 | 125.1 Ų | 125.1 | 65% | 0.654 | 66% | 0.659 | S | S | * | * | trans | -78.7 | 90.3 | 177.5 | -76.8 | 164.6 | 0 | 0 | 0 | 110.7 | P1177 S1181 | P1177-L1183 HydrophobicContact CB-CD2 4.36Å; P1177-L1183 HydrophobicContact CB-CG 4.13Å; P1177-L1183 HydrophobicContact CG-CD1 3.96Å; P1177-L1183 HydrophobicContact CG-CD2 3.97Å; P1177-L1183 HydrophobicContact CG-CG 3.84Å; S1181-L1183 VanDerWaalsContact C-N 3.35Å | ||
| 1184 | I | 57.6 | Low | 55.1 | Low | 139 Ų | 139 | 126.7 Ų | 126.7 | 71% | 0.713 | 66% | 0.664 | S | S | * | * | trans | -90.5 | 113 | 170.5 | -56.1 | 175.1 | 0 | 0 | 0 | 108.3 | N1182 Q1186 | N1182-I1184 PolarHBondContact O-N 3.46Å; N1182-I1184 VanDerWaalsContact O-N 3.1Å; I1184-Q1186 HydrophobicContact CG2-CG 4.16Å; I1184-Q1186 PolarHBondContact O-N 2.73Å; I1184-Q1186 VanDerWaalsContact O-N 3.11Å | ||
| 1185 | K | 55.3 | Low | 54.4 | Low | 185 Ų | 185 | 125.4 Ų | 125.4 | 80% | 0.804 | 66% | 0.664 | S | S | * | * | trans | -77 | 94.5 | 173.7 | -169.2 | -178.7 | -177.9 | -176.3 | 0 | 109.3 | I1187 | K1185-I1187 HydrophobicContact CG-CG1 4.31Š| ||
| 1186 | Q | 49.5 | Very low | 54.3 | Low | 147 Ų | 147 | 124.9 Ų | 124.9 | 69% | 0.687 | 66% | 0.662 | S | S | * | * | trans | -89 | 116 | 167.1 | -77.1 | 179.9 | -23 | 0 | 0 | 109.2 | I1184 | I1184-Q1186 HydrophobicContact CG2-CG 4.16Å; I1184-Q1186 PolarHBondContact O-N 2.73Å; I1184-Q1186 VanDerWaalsContact O-N 3.11Å | ||
| 1187 | I | 61.3 | Low | 54.3 | Low | 128 Ų | 128 | 120.9 Ų | 120.9 | 66% | 0.656 | 65% | 0.652 | S | S | * | * | trans | -94.2 | 108.3 | 171.8 | -58.3 | 174.6 | 0 | 0 | 0 | 106.4 | K1185 I1189 | K1185-I1187 HydrophobicContact CG-CG1 4.31Å; I1187-I1189 HydrophobicContact CG2-CG1 4.42Å | ||
| 1188 | H | 48.6 | Very low | 54.4 | Low | 141 Ų | 141 | 124.9 Ų | 124.9 | 65% | 0.653 | 67% | 0.669 | S | S | * | * | trans | -93.6 | 115 | 166.7 | -72.7 | -61.8 | 0 | 0 | 0 | 108.3 | L1190 | H1188-L1190 PolarHBondContact O-N 3.28Š| ||
| 1189 | I | 62.3 | Low | 54.4 | Low | 111 Ų | 111 | 122.4 Ų | 122.4 | 57% | 0.569 | 66% | 0.655 | S | S | * | * | trans | -79.4 | 97 | 166.6 | -58.1 | 174.4 | 0 | 0 | 0 | 105.5 | L598 I1187 N1191 | L598-I1189 HydrophobicContact CD1-CG2 3.72Å; L598-I1189 HydrophobicContact CD2-CG2 4.08Å; I1187-I1189 HydrophobicContact CG2-CG1 4.42Å; I1189-N1191 VanDerWaalsContact C-N 3.27Å; I1189-N1191 PolarHBondContact O-N 3.27Å | ||
| 1190 | L | 42.2 | Very low | 54.6 | Low | 140 Ų | 140 | 129.2 Ų | 129.2 | 73% | 0.733 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -78.5 | 80.3 | 176.3 | -76.6 | 165.8 | 0 | 0 | 0 | 109.6 | L598 H1188 | L598-L1190 WeakPolarHBondContact CD1-O 3.29Å; H1188-L1190 PolarHBondContact O-N 3.28Å |
| 1191 | N | 48.1 | Very low | 54.1 | Low | 104 Ų | 104 | 130.1 Ų | 130.1 | 56% | 0.556 | 68% | 0.681 | S | S | * | * | trans | 102.9 | 102.2 | -178.2 | -68.2 | -30 | 0 | 0 | 0 | 114.6 | L598 I1189 | L598-N1191 WeakPolarHBondContact CD1-O 3.42Å; I1189-N1191 VanDerWaalsContact C-N 3.27Å; I1189-N1191 PolarHBondContact O-N 3.27Å | ||
| 1192 | P | 53.5 | Low | 53.8 | Low | 143 Ų | 143 | 133.2 Ų | 133.2 | 93% | 0.929 | 68% | 0.682 | S | S | * | * | trans | -71.8 | 0 | -177.8 | 30.8 | -34.8 | 0 | 0 | 0 | 114.7 |
Retrieved 1,192 of 1,192 residues in 1736.2 ms
(Link to these results)