| 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 | 41.6 | Very low | 47.9 | Very low | 248 Ų | 248 | 149.8 Ų | 149.8 | 100% | 1.222 | 79% | 0.789 | S | S | * | * | 0 | 96.9 | 0 | -75.5 | -157.5 | -76.6 | 0 | 0 | 107.9 | |||||
| 2 | A | 38.4 | Very low | 51.3 | Low | 99 Ų | 99 | 144 Ų | 144 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -100.4 | 110.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | L4 | A2-L4 PolarHBondContact O-N 3.15Å; A2-L4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | A | 42.9 | Very low | 54.3 | Low | 100 Ų | 100 | 144.6 Ų | 144.6 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | -66.2 | 107.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | E5 | A3-E5 PolarHBondContact O-N 3.19Š| ||
| 4 | L | 43.8 | Very low | 57 | Low | 163 Ų | 163 | 141.2 Ų | 141.2 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | trans | -59.4 | 119.5 | 162.8 | -90.5 | 135.7 | 0 | 0 | 0 | 106.7 | A2 L6 | A2-L4 PolarHBondContact O-N 3.15Å; A2-L4 VanDerWaalsContact O-N 3.13Å; L4-L6 PolarHBondContact O-N 3.44Å | ||
| 5 | E | 44 | Very low | 59.2 | Low | 179 Ų | 179 | 136.6 Ų | 136.6 | 84% | 0.836 | 72% | 0.715 | S | S | * | * | trans | -54.1 | 111.6 | 165.6 | -72.3 | 178.3 | 152.6 | 0 | 0 | 107.4 | A3 E7 | A3-E5 PolarHBondContact O-N 3.19Å; E5-E7 VanDerWaalsContact C-N 3.27Å; E5-E7 PolarHBondContact O-N 3.07Å | ||
| 6 | L | 41.8 | Very low | 61.2 | Low | 171 Ų | 171 | 132.2 Ų | 132.2 | 90% | 0.895 | 70% | 0.696 | S | S | * | * | trans | -67.4 | 92.2 | 169.2 | -81.8 | 158 | 0 | 0 | 0 | 106.7 | L4 W8 | L4-L6 PolarHBondContact O-N 3.44Å; L6-W8 VanDerWaalsContact C-N 3.35Å; L6-W8 PolarHBondContact O-N 2.97Å | ||
| 7 | E | 36.9 | Very low | 63.1 | Low | 164 Ų | 164 | 127.4 Ų | 127.4 | 77% | 0.766 | 68% | 0.679 | S | S | * | * | trans | -61.2 | 99.9 | 165.4 | -80.7 | -171.8 | 154.9 | 0 | 0 | 108.2 | E5 I9 | E5-E7 VanDerWaalsContact C-N 3.27Å; E5-E7 PolarHBondContact O-N 3.07Å; E7-I9 PolarHBondContact O-N 3.29Å; E7-I9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | W | 45.7 | Very low | 64.8 | Low | 215 Ų | 215 | 120.9 Ų | 120.9 | 81% | 0.814 | 65% | 0.645 | S | S | * | * | trans | -73.1 | 97.8 | 168.7 | 179.6 | 76.8 | 0 | 0 | 0 | 108.1 | L6 P10 | L6-W8 VanDerWaalsContact C-N 3.35Å; L6-W8 PolarHBondContact O-N 2.97Å; W8-P10 HydrophobicContact CE3-CB 4.45Å; W8-P10 HydrophobicContact CE3-CG 4.36Å; W8-P10 HydrophobicContact CH2-CB 3.64Å; W8-P10 HydrophobicContact CH2-CG 4.18Å; W8-P10 HydrophobicContact CZ2-CB 3.95Å; W8-P10 HydrophobicContact CZ3-CB 3.9Å; W8-P10 HydrophobicContact CZ3-CG 3.92Å; W8-P10 VanDerWaalsContact O-CD 3.3Å; W8-P10 WeakPolarHBondContact O-CD 3.35Å | ||
| 9 | I | 54.9 | Low | 66.3 | Low | 134 Ų | 134 | 115.4 Ų | 115.4 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | trans | -87.8 | 110.1 | 170.1 | -55.7 | 172.8 | 0 | 0 | 0 | 106.8 | E7 E11 | E7-I9 PolarHBondContact O-N 3.29Å; E7-I9 VanDerWaalsContact O-N 3.08Å; I9-E11 PolarHBondContact O-N 3.5Å | ||
| 10 | P | 62.6 | Low | 67.7 | Low | 75 Ų | 75 | 112.1 Ų | 112.1 | 49% | 0.487 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 132.5 | 178 | 17.3 | -26.2 | 0 | 0 | 0 | 110.8 | W8 | W8-P10 HydrophobicContact CE3-CB 4.45Å; W8-P10 HydrophobicContact CE3-CG 4.36Å; W8-P10 HydrophobicContact CH2-CB 3.64Å; W8-P10 HydrophobicContact CH2-CG 4.18Å; W8-P10 HydrophobicContact CZ2-CB 3.95Å; W8-P10 HydrophobicContact CZ3-CB 3.9Å; W8-P10 HydrophobicContact CZ3-CG 3.92Å; W8-P10 VanDerWaalsContact O-CD 3.3Å; W8-P10 WeakPolarHBondContact O-CD 3.35Å |
| 11 | E | 74.3 | Confident | 69 | Low | 100 Ų | 100 | 109 Ų | 109 | 47% | 0.467 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 144.2 | 170.3 | -78.1 | -165.9 | 155.4 | 0 | 0 | 109.8 | I9 N15 K46 | I9-E11 PolarHBondContact O-N 3.5Å; E11-N15 HydrophobicContact CB-CB 4.27Å; E11-K46 IonicContact OE1-NZ 2.86Å; E11-K46 PolarHBondContact OE1-NZ 3.29Å |
| 12 | T | 88.8 | Confident | 71.6 | Confident | 80 Ų | 80 | 97.2 Ų | 97.2 | 49% | 0.491 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 148.7 | 172.2 | 65.6 | 0 | 0 | 0 | 0 | 109.7 | Y14 N15 T16 | T12-Y14 PolarHBondContact O-N 3.49Å; T12-N15 PolarHBondContact O-N 3.5Å; T12-N15 WeakPolarHBondContact OG1-CB 3.27Å; T12-N15 VanDerWaalsContact OG1-CG 3.31Å; T12-N15 PolarHBondContact OG1-N 3.37Å; T12-N15 VanDerWaalsContact OG1-N 3.13Å; T12-N15 PolarHBondContact OG1-ND2 3.07Å; T12-T16 PolarHBondContact O-N 3.15Å; T12-T16 PolarHBondContact O-OG1 3.27Å |
| 13 | L | 90.6 | Very high | 74.2 | Confident | 152 Ų | 152 | 97.2 Ų | 97.2 | 80% | 0.796 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -51.4 | -35.7 | 174.9 | 178.1 | 62.9 | 0 | 0 | 0 | 111.8 | A17 | L13-A17 VanDerWaalsContact O-CB 3.29Å; L13-A17 WeakPolarHBondContact O-CB 3.04Å; L13-A17 PolarHBondContact O-N 2.94Å |
| 14 | Y | 92.1 | Very high | 76.7 | Confident | 97 Ų | 97 | 96.2 Ų | 96.2 | 38% | 0.38 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -53.4 | 174.1 | -177.1 | -98.2 | 0 | 0 | 0 | 112.1 | T12 T16 A17 I18 D42 | T12-Y14 PolarHBondContact O-N 3.49Å; Y14-T16 VanDerWaalsContact C-N 3.31Å; Y14-T16 PolarHBondContact O-N 3.4Å; Y14-A17 WeakPolarHBondContact O-CB 3.39Å; Y14-A17 PolarHBondContact O-N 3.41Å; Y14-A17 VanDerWaalsContact O-N 3.16Å; Y14-I18 HydrophobicContact CD1-CG1 4.26Å; Y14-I18 HydrophobicContact CE1-CD1 4.39Å; Y14-I18 HydrophobicContact CE1-CG1 3.84Å; Y14-I18 HydrophobicContact CE2-CD1 4.46Å; Y14-I18 HydrophobicContact CE2-CG1 4.43Å; Y14-I18 WeakPolarHBondContact O-CG1 3.43Å; Y14-I18 PolarHBondContact O-N 3.04Å; Y14-D42 PolarHBondContact OH-OD2 3.32Å |
| 15 | N | 89.5 | Confident | 79.1 | Confident | 72 Ų | 72 | 88.8 Ų | 88.8 | 39% | 0.385 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62 | -40 | 179.1 | -73.9 | -13.8 | 0 | 0 | 0 | 111.7 | E11 T12 I18 S19 | E11-N15 HydrophobicContact CB-CB 4.27Å; T12-N15 PolarHBondContact O-N 3.5Å; T12-N15 WeakPolarHBondContact OG1-CB 3.27Å; T12-N15 VanDerWaalsContact OG1-CG 3.31Å; T12-N15 PolarHBondContact OG1-N 3.37Å; T12-N15 VanDerWaalsContact OG1-N 3.13Å; T12-N15 PolarHBondContact OG1-ND2 3.07Å; N15-I18 PolarHBondContact O-N 3.26Å; N15-S19 WeakPolarHBondContact O-CB 3.49Å; N15-S19 PolarHBondContact O-N 3.16Å; N15-S19 PolarHBondContact O-OG 2.91Å |
| 16 | T | 91.1 | Very high | 81.3 | Confident | 66 Ų | 66 | 84.9 Ų | 84.9 | 41% | 0.405 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 175.3 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | T12 Y14 S19 A20 | T12-T16 PolarHBondContact O-N 3.15Å; T12-T16 PolarHBondContact O-OG1 3.27Å; Y14-T16 VanDerWaalsContact C-N 3.31Å; Y14-T16 PolarHBondContact O-N 3.4Å; T16-S19 WeakPolarHBondContact O-CB 3.32Å; T16-S19 PolarHBondContact O-N 2.85Å; T16-A20 WeakPolarHBondContact O-CB 3.41Å; T16-A20 PolarHBondContact O-N 3.23Å |
| 17 | A | 93.5 | Very high | 83.8 | Confident | 50 Ų | 50 | 87 Ų | 87 | 41% | 0.413 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L13 Y14 A20 V21 | L13-A17 VanDerWaalsContact O-CB 3.29Å; L13-A17 WeakPolarHBondContact O-CB 3.04Å; L13-A17 PolarHBondContact O-N 2.94Å; Y14-A17 WeakPolarHBondContact O-CB 3.39Å; Y14-A17 PolarHBondContact O-N 3.41Å; Y14-A17 VanDerWaalsContact O-N 3.16Å; A17-A20 PolarHBondContact O-N 3.44Å; A17-V21 WeakPolarHBondContact O-CG2 3.46Å; A17-V21 PolarHBondContact O-N 2.97Å |
| 18 | I | 94.8 | Very high | 86.4 | Confident | 12 Ų | 12 | 80.1 Ų | 80.1 | 6% | 0.062 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 174.3 | -64.3 | -67.9 | 0 | 0 | 0 | 110.5 | Y14 N15 A20 V21 V22 I39 D42 V43 K46 | Y14-I18 HydrophobicContact CD1-CG1 4.26Å; Y14-I18 HydrophobicContact CE1-CD1 4.39Å; Y14-I18 HydrophobicContact CE1-CG1 3.84Å; Y14-I18 HydrophobicContact CE2-CD1 4.46Å; Y14-I18 HydrophobicContact CE2-CG1 4.43Å; Y14-I18 WeakPolarHBondContact O-CG1 3.43Å; Y14-I18 PolarHBondContact O-N 3.04Å; N15-I18 PolarHBondContact O-N 3.26Å; I18-A20 PolarHBondContact O-N 2.86Å; I18-V21 PolarHBondContact O-N 3.37Å; I18-V22 HydrophobicContact CG2-CG2 4.49Å; I18-V22 WeakPolarHBondContact O-CG2 3.47Å; I18-V22 PolarHBondContact O-N 2.98Å; I18-I39 HydrophobicContact CD1-CG2 4.12Å; I18-D42 HydrophobicContact CD1-CB 4.28Å; I18-V43 HydrophobicContact CD1-CG2 3.7Å; I18-V43 HydrophobicContact CG2-CG2 4.34Å; I18-K46 HydrophobicContact CG2-CB 3.67Å; I18-K46 HydrophobicContact CG2-CG 3.97Å |
| 19 | S | 93.2 | Very high | 88.6 | Confident | 15 Ų | 15 | 74.5 Ų | 74.5 | 11% | 0.105 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -54.8 | -49.5 | 174.1 | -63.4 | 0 | 0 | 0 | 0 | 111.3 | N15 T16 V21 V22 D23 K46 | N15-S19 WeakPolarHBondContact O-CB 3.49Å; N15-S19 PolarHBondContact O-N 3.16Å; N15-S19 PolarHBondContact O-OG 2.91Å; T16-S19 WeakPolarHBondContact O-CB 3.32Å; T16-S19 PolarHBondContact O-N 2.85Å; S19-V21 PolarHBondContact O-N 3.15Å; S19-V22 CarbonylContact O-C 3.51Å; S19-V22 PolarHBondContact O-N 3.27Å; S19-V22 VanDerWaalsContact O-N 3.14Å; S19-D23 PolarHBondContact O-N 3.39Å; S19-K46 WeakPolarHBondContact OG-CE 3.2Å; S19-K46 PolarHBondContact OG-NZ 3.3Å |
| 20 | A | 94 | Very high | 90.4 | Very high | 49 Ų | 49 | 78.7 Ų | 78.7 | 41% | 0.405 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T16 A17 I18 N24 | T16-A20 WeakPolarHBondContact O-CB 3.41Å; T16-A20 PolarHBondContact O-N 3.23Å; A17-A20 PolarHBondContact O-N 3.44Å; I18-A20 PolarHBondContact O-N 2.86Å; A20-N24 PolarHBondContact O-N 3.03Å; A20-N24 PolarHBondContact O-ND2 3.18Å |
| 21 | V | 94.9 | Very high | 91.8 | Very high | 48 Ų | 48 | 80.2 Ų | 80.2 | 29% | 0.291 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 174 | 169 | 0 | 0 | 0 | 0 | 110.7 | A17 I18 S19 N24 Y25 S28 I32 V43 | A17-V21 WeakPolarHBondContact O-CG2 3.46Å; A17-V21 PolarHBondContact O-N 2.97Å; I18-V21 PolarHBondContact O-N 3.37Å; S19-V21 PolarHBondContact O-N 3.15Å; V21-N24 CarbonylContact O-C 3.37Å; V21-N24 PolarHBondContact O-N 3.49Å; V21-Y25 PolarHBondContact O-N 3.27Å; V21-Y25 VanDerWaalsContact O-N 3.11Å; V21-S28 PolarHBondContact O-OG 3.47Å; V21-S28 VanDerWaalsContact O-OG 3.08Å; V21-I32 HydrophobicContact CG1-CD1 3.87Å; V21-I32 HydrophobicContact CG1-CG1 3.83Å; V21-V43 HydrophobicContact CG1-CG1 4.18Å; V21-V43 HydrophobicContact CG1-CG2 4.13Å |
| 22 | V | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 177.8 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | I18 S19 N24 Y25 V43 K46 L47 R52 | I18-V22 HydrophobicContact CG2-CG2 4.49Å; I18-V22 WeakPolarHBondContact O-CG2 3.47Å; I18-V22 PolarHBondContact O-N 2.98Å; S19-V22 CarbonylContact O-C 3.51Å; S19-V22 PolarHBondContact O-N 3.27Å; S19-V22 VanDerWaalsContact O-N 3.14Å; V22-N24 PolarHBondContact O-N 2.96Å; V22-N24 VanDerWaalsContact O-N 3.13Å; V22-Y25 WeakPolarHBondContact O-CA 3.43Å; V22-Y25 WeakPolarHBondContact O-CB 3.46Å; V22-Y25 PolarHBondContact O-N 3.17Å; V22-V43 HydrophobicContact CG2-CG1 3.81Å; V22-K46 HydrophobicContact CG2-CB 3.98Å; V22-K46 HydrophobicContact CG2-CG 4.05Å; V22-L47 HydrophobicContact CG1-CD2 3.67Å; V22-L47 HydrophobicContact CG1-CG 4.21Å; V22-L47 HydrophobicContact CG2-CG 4.36Å; V22-R52 VanDerWaalsContact CG1-NH1 3.34Å; V22-R52 PolarHBondContact O-NH1 3.46Å |
| 23 | D | 93.9 | Very high | 93 | Very high | 100 Ų | 100 | 75.6 Ų | 75.6 | 54% | 0.535 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.7 | -31.5 | 178.5 | -65.4 | -18.2 | 0 | 0 | 0 | 111.4 | S19 Q50 | S19-D23 PolarHBondContact O-N 3.39Å; D23-Q50 PolarHBondContact OD1-NE2 3.26Å |
| 24 | N | 94.3 | Very high | 93.2 | Very high | 79 Ų | 79 | 72.7 Ų | 72.7 | 42% | 0.422 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 18.4 | 174.9 | -67.8 | -83.9 | 0 | 0 | 0 | 114.2 | A20 V21 V22 S26 R27 S28 | A20-N24 PolarHBondContact O-N 3.03Å; A20-N24 PolarHBondContact O-ND2 3.18Å; V21-N24 CarbonylContact O-C 3.37Å; V21-N24 PolarHBondContact O-N 3.49Å; V22-N24 PolarHBondContact O-N 2.96Å; V22-N24 VanDerWaalsContact O-N 3.13Å; N24-S26 VanDerWaalsContact C-N 3.27Å; N24-S26 PolarHBondContact O-N 3.41Å; N24-R27 WeakPolarHBondContact O-CB 3.44Å; N24-R27 PolarHBondContact O-N 3.05Å; N24-S28 PolarHBondContact O-N 2.75Å; N24-S28 VanDerWaalsContact O-N 3.14Å; N24-S28 PolarHBondContact O-OG 3.12Å |
| 25 | Y | 94.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 70.4 Ų | 70.4 | 3% | 0.027 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -46.1 | -45 | -170.6 | 178 | -97.1 | 0 | 0 | 0 | 114.2 | V21 V22 R27 S28 R29 I32 L47 Q55 E59 | V21-Y25 PolarHBondContact O-N 3.27Å; V21-Y25 VanDerWaalsContact O-N 3.11Å; V22-Y25 WeakPolarHBondContact O-CA 3.43Å; V22-Y25 WeakPolarHBondContact O-CB 3.46Å; V22-Y25 PolarHBondContact O-N 3.17Å; Y25-R27 PolarHBondContact O-N 2.65Å; Y25-S28 WeakPolarHBondContact CA-OG 3.4Å; Y25-S28 CarbonylContact O-C 3.59Å; Y25-S28 PolarHBondContact O-N 3.37Å; Y25-S28 PolarHBondContact O-OG 3.08Å; Y25-R29 HydrophobicContact CE1-CB 4.45Å; Y25-R29 HydrophobicContact CE1-CG 4.23Å; Y25-R29 WeakPolarHBondContact O-CA 3.33Å; Y25-R29 WeakPolarHBondContact O-CB 3.45Å; Y25-R29 PolarHBondContact O-N 3.07Å; Y25-I32 HydrophobicContact CD2-CD1 3.48Å; Y25-I32 VanDerWaalsContact CD2-CD1 3.48Å; Y25-I32 HydrophobicContact CE2-CD1 3.74Å; Y25-L47 HydrophobicContact CD2-CD1 3.9Å; Y25-L47 HydrophobicContact CD2-CD2 4.16Å; Y25-L47 HydrophobicContact CD2-CG 4.47Å; Y25-L47 HydrophobicContact CE2-CD1 3.64Å; Y25-L47 HydrophobicContact CG-CD2 4.29Å; Y25-Q55 HydrophobicContact CD1-CB 4.31Å; Y25-Q55 HydrophobicContact CD1-CG 4.27Å; Y25-Q55 HydrophobicContact CE1-CB 3.92Å; Y25-Q55 HydrophobicContact CE1-CG 4.16Å; Y25-E59 WeakPolarHBondContact OH-CG 3.25Å; Y25-E59 PolarHBondContact OH-OE1 2.89Å |
| 26 | S | 91.2 | Very high | 93.4 | Very high | 97 Ų | 97 | 70.5 Ų | 70.5 | 68% | 0.678 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60.4 | -31.2 | -178.2 | -56.2 | 0 | 0 | 0 | 0 | 113 | N24 | N24-S26 VanDerWaalsContact C-N 3.27Å; N24-S26 PolarHBondContact O-N 3.41Å |
| 27 | R | 93.3 | Very high | 93.6 | Very high | 214 Ų | 214 | 70.5 Ų | 70.5 | 81% | 0.808 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -83.8 | -38.6 | 176.9 | -64.2 | 179.7 | 178.1 | 175 | -0.6 | 111.6 | N24 Y25 | N24-R27 WeakPolarHBondContact O-CB 3.44Å; N24-R27 PolarHBondContact O-N 3.05Å; Y25-R27 PolarHBondContact O-N 2.65Å |
| 28 | S | 91.5 | Very high | 93.5 | Very high | 20 Ų | 20 | 71.3 Ų | 71.3 | 14% | 0.14 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -89.8 | -5.4 | -175.2 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | V21 N24 Y25 R30 D31 I32 | V21-S28 PolarHBondContact O-OG 3.47Å; V21-S28 VanDerWaalsContact O-OG 3.08Å; N24-S28 PolarHBondContact O-N 2.75Å; N24-S28 VanDerWaalsContact O-N 3.14Å; N24-S28 PolarHBondContact O-OG 3.12Å; Y25-S28 WeakPolarHBondContact CA-OG 3.4Å; Y25-S28 CarbonylContact O-C 3.59Å; Y25-S28 PolarHBondContact O-N 3.37Å; Y25-S28 PolarHBondContact O-OG 3.08Å; S28-R30 VanDerWaalsContact C-N 3.27Å; S28-R30 PolarHBondContact O-N 3.01Å; S28-R30 VanDerWaalsContact O-N 3.09Å; S28-D31 PolarHBondContact O-N 2.94Å; S28-I32 WeakPolarHBondContact O-CG1 3.44Å; S28-I32 PolarHBondContact O-N 3.27Å; S28-I32 WeakPolarHBondContact OG-CD1 3.38Å |
| 29 | R | 93.3 | Very high | 93.4 | Very high | 97 Ų | 97 | 73.6 Ų | 73.6 | 37% | 0.366 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -48.4 | -43.7 | -173.2 | -175.6 | -177.9 | -177.6 | -139 | 4.2 | 114.2 | Y25 E59 | Y25-R29 HydrophobicContact CE1-CB 4.45Å; Y25-R29 HydrophobicContact CE1-CG 4.23Å; Y25-R29 WeakPolarHBondContact O-CA 3.33Å; Y25-R29 WeakPolarHBondContact O-CB 3.45Å; Y25-R29 PolarHBondContact O-N 3.07Å; R29-E59 IonicContact CZ-OE1 3.84Å; R29-E59 IonicContact NE-OE1 3.83Å; R29-E59 PolarHBondContact NE-OE1 2.94Å; R29-E59 IonicContact NH2-OE1 2.97Å; R29-E59 PolarHBondContact NH2-OE1 2.62Å |
| 30 | R | 91.8 | Very high | 93.5 | Very high | 223 Ų | 223 | 73 Ų | 73 | 84% | 0.842 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -68.1 | -42.9 | -179.6 | -69.9 | -176.2 | -179.2 | 177.8 | 0.7 | 111.3 | S28 I32 R33 | S28-R30 VanDerWaalsContact C-N 3.27Å; S28-R30 PolarHBondContact O-N 3.01Å; S28-R30 VanDerWaalsContact O-N 3.09Å; R30-I32 VanDerWaalsContact C-N 3.34Å; R30-R33 PolarHBondContact O-N 3.03Å |
| 31 | D | 93.4 | Very high | 93.6 | Very high | 106 Ų | 106 | 70.7 Ų | 70.7 | 57% | 0.567 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.9 | -33.5 | -180 | -53.4 | -42.1 | 0 | 0 | 0 | 111.4 | S28 R33 S34 L35 | S28-D31 PolarHBondContact O-N 2.94Å; D31-R33 PolarHBondContact O-N 3.04Å; D31-S34 PolarHBondContact O-N 3.26Å; D31-S34 PolarHBondContact O-OG 2.87Å; D31-L35 PolarHBondContact O-N 3.47Å |
| 32 | I | 94 | Very high | 93.6 | Very high | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.6 | -36.7 | 174.9 | -69.4 | 163.3 | 0 | 0 | 0 | 111.2 | V21 Y25 S28 R30 S34 L35 Q40 V43 Y44 | V21-I32 HydrophobicContact CG1-CD1 3.87Å; V21-I32 HydrophobicContact CG1-CG1 3.83Å; Y25-I32 HydrophobicContact CD2-CD1 3.48Å; Y25-I32 VanDerWaalsContact CD2-CD1 3.48Å; Y25-I32 HydrophobicContact CE2-CD1 3.74Å; S28-I32 WeakPolarHBondContact O-CG1 3.44Å; S28-I32 PolarHBondContact O-N 3.27Å; S28-I32 WeakPolarHBondContact OG-CD1 3.38Å; R30-I32 VanDerWaalsContact C-N 3.34Å; I32-S34 VanDerWaalsContact C-N 3.27Å; I32-S34 PolarHBondContact O-N 3Å; I32-L35 HydrophobicContact CB-CD1 4.45Å; I32-L35 HydrophobicContact CG1-CD1 4.42Å; I32-L35 HydrophobicContact CG2-CD1 4.49Å; I32-L35 WeakPolarHBondContact O-CB 3.02Å; I32-L35 PolarHBondContact O-N 2.81Å; I32-Q40 HydrophobicContact CG2-CG 4.23Å; I32-V43 HydrophobicContact CD1-CG1 3.81Å; I32-V43 HydrophobicContact CG1-CG1 4.12Å; I32-V43 HydrophobicContact CG2-CB 4.36Å; I32-V43 HydrophobicContact CG2-CG1 3.96Å; I32-Y44 HydrophobicContact CG2-CD1 4.47Å; I32-Y44 HydrophobicContact CG2-CE1 3.72Å |
| 33 | R | 94.1 | Very high | 93.7 | Very high | 81 Ų | 81 | 70.2 Ų | 70.2 | 31% | 0.306 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.4 | -23.3 | -179.9 | -66.3 | 179.3 | 176.3 | -164.9 | -5.8 | 113.5 | R30 D31 E59 V65 K68 | R30-R33 PolarHBondContact O-N 3.03Å; D31-R33 PolarHBondContact O-N 3.04Å; R33-E59 IonicContact CZ-OE1 3.26Å; R33-E59 IonicContact CZ-OE2 3.53Å; R33-E59 IonicContact NE-OE1 2.63Å; R33-E59 IonicContact NE-OE2 2.84Å; R33-E59 PolarHBondContact NE-OE2 3.36Å; R33-E59 IonicContact NH2-OE1 3.24Å; R33-E59 PolarHBondContact NH2-OE1 2.95Å; R33-E59 IonicContact NH2-OE2 3.19Å; R33-E59 PolarHBondContact NH2-OE2 2.91Å; R33-V65 HydrophobicContact CG-CG2 4.31Å; R33-K68 PolarHBondContact O-NZ 2.94Å |
| 34 | S | 93.3 | Very high | 93.8 | Very high | 92 Ų | 92 | 65.5 Ų | 65.5 | 64% | 0.643 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -86.6 | -16.7 | 177.2 | 68.5 | 0 | 0 | 0 | 0 | 113.1 | D31 I32 | D31-S34 PolarHBondContact O-N 3.26Å; D31-S34 PolarHBondContact O-OG 2.87Å; I32-S34 VanDerWaalsContact C-N 3.27Å; I32-S34 PolarHBondContact O-N 3Å |
| 35 | L | 93.6 | Very high | 93.9 | Very high | 49 Ų | 49 | 64 Ų | 64 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -57.8 | 150.5 | 178.3 | -64.2 | 176.3 | 0 | 0 | 0 | 112.7 | D31 I32 I39 Q40 V43 K68 | D31-L35 PolarHBondContact O-N 3.47Å; I32-L35 HydrophobicContact CB-CD1 4.45Å; I32-L35 HydrophobicContact CG1-CD1 4.42Å; I32-L35 HydrophobicContact CG2-CD1 4.49Å; I32-L35 WeakPolarHBondContact O-CB 3.02Å; I32-L35 PolarHBondContact O-N 2.81Å; L35-I39 HydrophobicContact CD1-CG2 4.07Å; L35-Q40 HydrophobicContact CB-CB 4.23Å; L35-V43 HydrophobicContact CD1-CG2 4.2Å; L35-K68 WeakPolarHBondContact O-CE 3.39Å; L35-K68 PolarHBondContact O-NZ 3.47Å |
| 36 | P | 93.9 | Very high | 94 | Very high | 74 Ų | 74 | 65 Ų | 65 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | trans | -52.1 | 148.4 | 171.9 | -26.3 | 34.9 | 0 | 0 | 0 | 112.8 | N38 I39 Q40 | P36-N38 VanDerWaalsContact C-N 3.29Å; P36-N38 PolarHBondContact O-N 3.3Å; P36-N38 VanDerWaalsContact O-N 3.14Å; P36-I39 HydrophobicContact CB-CD1 4.45Å; P36-I39 HydrophobicContact CB-CG1 4.47Å; P36-I39 HydrophobicContact CG-CD1 4.14Å; P36-I39 PolarHBondContact O-N 3.49Å; P36-Q40 WeakPolarHBondContact O-CB 3.34Å; P36-Q40 PolarHBondContact O-N 2.99Å | ||
| 37 | E | 93.4 | Very high | 94.2 | Very high | 65 Ų | 65 | 60.4 Ų | 60.4 | 30% | 0.304 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -44.1 | -50.8 | -175 | -75 | 69.3 | -162.9 | 0 | 0 | 113 | F41 K68 R71 | E37-F41 WeakPolarHBondContact O-CB 3.47Å; E37-F41 PolarHBondContact O-N 3.34Å; E37-K68 HydrophobicContact CG-CG 3.85Å; E37-R71 HydrophobicContact CG-CB 3.77Å; E37-R71 IonicContact OE1-CZ 2.81Å; E37-R71 IonicContact OE1-NE 3.47Å; E37-R71 PolarHBondContact OE1-NE 2.93Å; E37-R71 IonicContact OE1-NH2 2.72Å; E37-R71 PolarHBondContact OE1-NH2 3.01Å |
| 38 | N | 91.8 | Very high | 94.3 | Very high | 68 Ų | 68 | 52.8 Ų | 52.8 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.4 | -39.5 | -175.7 | -75.3 | -18.9 | 0 | 0 | 0 | 112.7 | P36 F41 D42 A72 K75 | P36-N38 VanDerWaalsContact C-N 3.29Å; P36-N38 PolarHBondContact O-N 3.3Å; P36-N38 VanDerWaalsContact O-N 3.14Å; N38-F41 PolarHBondContact O-N 3.27Å; N38-D42 VanDerWaalsContact O-CG 3.26Å; N38-D42 PolarHBondContact O-N 3.42Å; N38-D42 VanDerWaalsContact O-OD2 3.06Å; N38-A72 WeakPolarHBondContact OD1-CB 3.32Å; N38-K75 PolarHBondContact O-NZ 3.45Å |
| 39 | I | 93.6 | Very high | 94.4 | Very high | 60 Ų | 60 | 57 Ų | 57 | 31% | 0.308 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72.8 | -41.5 | 179.5 | -56.5 | -179.5 | 0 | 0 | 0 | 109.9 | I18 L35 P36 F41 D42 V43 | I18-I39 HydrophobicContact CD1-CG2 4.12Å; L35-I39 HydrophobicContact CD1-CG2 4.07Å; P36-I39 HydrophobicContact CB-CD1 4.45Å; P36-I39 HydrophobicContact CB-CG1 4.47Å; P36-I39 HydrophobicContact CG-CD1 4.14Å; P36-I39 PolarHBondContact O-N 3.49Å; I39-F41 VanDerWaalsContact C-N 3.28Å; I39-F41 PolarHBondContact O-N 3.04Å; I39-D42 PolarHBondContact O-N 3.1Å; I39-D42 VanDerWaalsContact O-N 3.14Å; I39-V43 WeakPolarHBondContact O-CG2 3.45Å; I39-V43 PolarHBondContact O-N 3.25Å |
| 40 | Q | 95.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 174 | -174.9 | -173.6 | 26.9 | 0 | 0 | 110.7 | I32 L35 P36 D42 V43 Y44 | I32-Q40 HydrophobicContact CG2-CG 4.23Å; L35-Q40 HydrophobicContact CB-CB 4.23Å; P36-Q40 WeakPolarHBondContact O-CB 3.34Å; P36-Q40 PolarHBondContact O-N 2.99Å; Q40-D42 VanDerWaalsContact C-N 3.34Å; Q40-D42 PolarHBondContact O-N 3.3Å; Q40-V43 PolarHBondContact O-N 2.93Å; Q40-Y44 HydrophobicContact CG-CD2 4.04Å; Q40-Y44 HydrophobicContact CG-CE2 3.45Å; Q40-Y44 VanDerWaalsContact CG-CE2 3.45Å; Q40-Y44 PolarHBondContact NE2-OH 3.06Å; Q40-Y44 WeakPolarHBondContact O-CD2 3.46Å; Q40-Y44 PolarHBondContact O-N 3.3Å; Q40-Y44 VanDerWaalsContact O-N 3.1Å |
| 41 | F | 95.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 174.7 | -173.9 | -83.5 | 0 | 0 | 0 | 111.7 | E37 N38 I39 V43 Y44 Y45 V69 A72 K75 L78 L79 | E37-F41 WeakPolarHBondContact O-CB 3.47Å; E37-F41 PolarHBondContact O-N 3.34Å; N38-F41 PolarHBondContact O-N 3.27Å; I39-F41 VanDerWaalsContact C-N 3.28Å; I39-F41 PolarHBondContact O-N 3.04Å; F41-V43 VanDerWaalsContact C-N 3.31Å; F41-V43 PolarHBondContact O-N 3.14Å; F41-Y44 CarbonylContact O-C 3.51Å; F41-Y44 PolarHBondContact O-N 3.26Å; F41-Y44 VanDerWaalsContact O-N 3.07Å; F41-Y45 HydrophobicContact CE1-CD2 4.06Å; F41-Y45 HydrophobicContact CE1-CG 4.18Å; F41-Y45 HydrophobicContact CZ-CD2 4.38Å; F41-Y45 WeakPolarHBondContact O-CB 3.46Å; F41-Y45 PolarHBondContact O-N 3.38Å; F41-V69 HydrophobicContact CD2-CG1 3.98Å; F41-V69 HydrophobicContact CE2-CG1 4.2Å; F41-A72 HydrophobicContact CB-CB 4.21Å; F41-A72 HydrophobicContact CD2-CB 4.42Å; F41-A72 HydrophobicContact CG-CB 4.41Å; F41-K75 HydrophobicContact CB-CD 4.12Å; F41-K75 HydrophobicContact CD1-CB 3.91Å; F41-K75 HydrophobicContact CD1-CD 3.28Å; F41-K75 HydrophobicContact CD1-CG 4.2Å; F41-K75 HydrophobicContact CE1-CB 3.76Å; F41-K75 HydrophobicContact CE1-CD 3.88Å; F41-K75 HydrophobicContact CE1-CG 4.41Å; F41-K75 HydrophobicContact CE2-CB 4.4Å; F41-K75 HydrophobicContact CG-CB 4.3Å; F41-K75 HydrophobicContact CG-CD 3.79Å; F41-K75 HydrophobicContact CZ-CB 4.03Å; F41-L78 HydrophobicContact CE1-CB 3.86Å; F41-L78 HydrophobicContact CE1-CD1 4.19Å; F41-L78 HydrophobicContact CZ-CB 3.78Å; F41-L79 HydrophobicContact CE2-CB 3.74Å; F41-L79 HydrophobicContact CE2-CD1 4.01Å; F41-L79 HydrophobicContact CE2-CG 4.33Å; F41-L79 HydrophobicContact CZ-CB 4.09Å |
| 42 | D | 95.3 | Very high | 94.8 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 20% | 0.198 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -36.9 | -179.2 | -68.8 | -28.9 | 0 | 0 | 0 | 112.5 | Y14 I18 N38 I39 Q40 Y45 K46 K75 | Y14-D42 PolarHBondContact OH-OD2 3.32Å; I18-D42 HydrophobicContact CD1-CB 4.28Å; N38-D42 VanDerWaalsContact O-CG 3.26Å; N38-D42 PolarHBondContact O-N 3.42Å; N38-D42 VanDerWaalsContact O-OD2 3.06Å; I39-D42 PolarHBondContact O-N 3.1Å; I39-D42 VanDerWaalsContact O-N 3.14Å; Q40-D42 VanDerWaalsContact C-N 3.34Å; Q40-D42 PolarHBondContact O-N 3.3Å; D42-Y45 PolarHBondContact O-N 2.72Å; D42-K46 WeakPolarHBondContact O-CB 3.2Å; D42-K46 PolarHBondContact O-N 3.49Å; D42-K75 IonicContact OD1-NZ 3.9Å; D42-K75 PolarHBondContact OD1-NZ 3.26Å; D42-K75 IonicContact OD2-NZ 3.56Å; D42-K75 PolarHBondContact OD2-NZ 3.48Å |
| 43 | V | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 171.6 | 175.7 | 0 | 0 | 0 | 0 | 111 | I18 V21 V22 I32 L35 I39 Q40 F41 K46 L47 | I18-V43 HydrophobicContact CD1-CG2 3.7Å; I18-V43 HydrophobicContact CG2-CG2 4.34Å; V21-V43 HydrophobicContact CG1-CG1 4.18Å; V21-V43 HydrophobicContact CG1-CG2 4.13Å; V22-V43 HydrophobicContact CG2-CG1 3.81Å; I32-V43 HydrophobicContact CD1-CG1 3.81Å; I32-V43 HydrophobicContact CG1-CG1 4.12Å; I32-V43 HydrophobicContact CG2-CB 4.36Å; I32-V43 HydrophobicContact CG2-CG1 3.96Å; L35-V43 HydrophobicContact CD1-CG2 4.2Å; I39-V43 WeakPolarHBondContact O-CG2 3.45Å; I39-V43 PolarHBondContact O-N 3.25Å; Q40-V43 PolarHBondContact O-N 2.93Å; F41-V43 VanDerWaalsContact C-N 3.31Å; F41-V43 PolarHBondContact O-N 3.14Å; V43-K46 PolarHBondContact O-N 2.49Å; V43-L47 PolarHBondContact O-N 3.36Å |
| 44 | Y | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.2 | -38 | 178.1 | -65.7 | -22.7 | 0 | 0 | 0 | 113 | I32 Q40 F41 K46 L47 Y48 L56 E59 F60 V65 V69 | I32-Y44 HydrophobicContact CG2-CD1 4.47Å; I32-Y44 HydrophobicContact CG2-CE1 3.72Å; Q40-Y44 HydrophobicContact CG-CD2 4.04Å; Q40-Y44 HydrophobicContact CG-CE2 3.45Å; Q40-Y44 VanDerWaalsContact CG-CE2 3.45Å; Q40-Y44 PolarHBondContact NE2-OH 3.06Å; Q40-Y44 WeakPolarHBondContact O-CD2 3.46Å; Q40-Y44 PolarHBondContact O-N 3.3Å; Q40-Y44 VanDerWaalsContact O-N 3.1Å; F41-Y44 CarbonylContact O-C 3.51Å; F41-Y44 PolarHBondContact O-N 3.26Å; F41-Y44 VanDerWaalsContact O-N 3.07Å; Y44-K46 VanDerWaalsContact C-N 3.33Å; Y44-L47 HydrophobicContact CD1-CD1 4.04Å; Y44-L47 WeakPolarHBondContact O-CB 3.15Å; Y44-L47 PolarHBondContact O-N 3.15Å; Y44-Y48 PolarHBondContact O-N 3.34Å; Y44-Y48 VanDerWaalsContact O-N 3.08Å; Y44-L56 HydrophobicContact CG-CD1 4.19Å; Y44-E59 HydrophobicContact CD1-CG 4.44Å; Y44-E59 HydrophobicContact CE1-CB 4.02Å; Y44-E59 HydrophobicContact CE1-CG 3.67Å; Y44-E59 PolarHBondContact OH-OE2 2.82Å; Y44-F60 AromaticContact CD2-CE1 3.84Å; Y44-F60 HydrophobicContact CD2-CE1 3.84Å; Y44-F60 HydrophobicContact CG-CE1 4.15Å; Y44-V65 HydrophobicContact CE2-CG1 3.66Å; Y44-V65 VanDerWaalsContact OH-CG1 3.23Å; Y44-V65 WeakPolarHBondContact OH-CG1 3.42Å; Y44-V69 HydrophobicContact CD2-CG2 3.67Å; Y44-V69 HydrophobicContact CE2-CG2 3.72Å |
| 45 | Y | 95.8 | Very high | 95 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 18% | 0.184 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | 174 | -169.5 | -104.6 | 0 | 0 | 0 | 110.9 | F41 D42 Y48 Q49 L78 C82 | F41-Y45 HydrophobicContact CE1-CD2 4.06Å; F41-Y45 HydrophobicContact CE1-CG 4.18Å; F41-Y45 HydrophobicContact CZ-CD2 4.38Å; F41-Y45 WeakPolarHBondContact O-CB 3.46Å; F41-Y45 PolarHBondContact O-N 3.38Å; D42-Y45 PolarHBondContact O-N 2.72Å; Y45-Y48 HydrophobicContact CD2-CD1 4.27Å; Y45-Y48 AromaticContact CE2-CD1 3.95Å; Y45-Y48 HydrophobicContact CE2-CD1 3.95Å; Y45-Y48 HydrophobicContact CE2-CE1 4.27Å; Y45-Y48 WeakPolarHBondContact O-CA 3.29Å; Y45-Y48 VanDerWaalsContact O-CB 3.3Å; Y45-Y48 WeakPolarHBondContact O-CB 3.46Å; Y45-Y48 PolarHBondContact O-N 3.49Å; Y45-Y48 VanDerWaalsContact O-N 3.16Å; Y45-Q49 HydrophobicContact CD1-CG 4.07Å; Y45-Q49 HydrophobicContact CE1-CG 3.82Å; Y45-Q49 VanDerWaalsContact CE1-NE2 3.34Å; Y45-Q49 WeakPolarHBondContact O-CG 3.43Å; Y45-Q49 PolarHBondContact O-N 2.6Å; Y45-L78 HydrophobicContact CD2-CB 3.99Å; Y45-L78 HydrophobicContact CD2-CD1 4.45Å; Y45-L78 HydrophobicContact CE2-CB 3.79Å; Y45-L78 HydrophobicContact CE2-CD1 4.32Å; Y45-L78 HydrophobicContact CE2-CD2 3.95Å; Y45-L78 HydrophobicContact CE2-CG 4.23Å; Y45-C82 WeakPolarHBondContact CD2-SG 3.42Å; Y45-C82 WeakPolarHBondContact CE2-SG 3.3Å |
| 46 | K | 95.8 | Very high | 95.2 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 13% | 0.13 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.6 | -35.6 | 174.3 | -169.7 | 76.5 | 174.6 | -162.6 | 0 | 112.3 | E11 I18 S19 V22 D42 V43 Y44 Y48 Q49 Q50 | E11-K46 IonicContact OE1-NZ 2.86Å; E11-K46 PolarHBondContact OE1-NZ 3.29Å; I18-K46 HydrophobicContact CG2-CB 3.67Å; I18-K46 HydrophobicContact CG2-CG 3.97Å; S19-K46 WeakPolarHBondContact OG-CE 3.2Å; S19-K46 PolarHBondContact OG-NZ 3.3Å; V22-K46 HydrophobicContact CG2-CB 3.98Å; V22-K46 HydrophobicContact CG2-CG 4.05Å; D42-K46 WeakPolarHBondContact O-CB 3.2Å; D42-K46 PolarHBondContact O-N 3.49Å; V43-K46 PolarHBondContact O-N 2.49Å; Y44-K46 VanDerWaalsContact C-N 3.33Å; K46-Y48 VanDerWaalsContact C-N 3.3Å; K46-Y48 PolarHBondContact O-N 3.34Å; K46-Q49 PolarHBondContact O-N 3.49Å; K46-Q50 WeakPolarHBondContact O-CG 3.32Å; K46-Q50 PolarHBondContact O-N 2.82Å |
| 47 | L | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.6 | -44.5 | 169.3 | -75.7 | 169.8 | 0 | 0 | 0 | 111.4 | V22 Y25 V43 Y44 Q50 G51 R52 L56 | V22-L47 HydrophobicContact CG1-CD2 3.67Å; V22-L47 HydrophobicContact CG1-CG 4.21Å; V22-L47 HydrophobicContact CG2-CG 4.36Å; Y25-L47 HydrophobicContact CD2-CD1 3.9Å; Y25-L47 HydrophobicContact CD2-CD2 4.16Å; Y25-L47 HydrophobicContact CD2-CG 4.47Å; Y25-L47 HydrophobicContact CE2-CD1 3.64Å; Y25-L47 HydrophobicContact CG-CD2 4.29Å; V43-L47 PolarHBondContact O-N 3.36Å; Y44-L47 HydrophobicContact CD1-CD1 4.04Å; Y44-L47 WeakPolarHBondContact O-CB 3.15Å; Y44-L47 PolarHBondContact O-N 3.15Å; L47-Q50 PolarHBondContact O-N 2.7Å; L47-G51 PolarHBondContact O-N 2.6Å; L47-R52 HydrophobicContact CB-CB 4.38Å; L47-R52 HydrophobicContact CD2-CB 3.89Å; L47-R52 WeakPolarHBondContact O-CB 3.36Å; L47-R52 PolarHBondContact O-N 3.09Å; L47-L56 HydrophobicContact CB-CB 4.36Å |
| 48 | Y | 95.5 | Very high | 95.5 | Very high | 53 Ų | 53 | 38.5 Ų | 38.5 | 21% | 0.208 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60 | -50.3 | 174.2 | 159.8 | -101.3 | 0 | 0 | 0 | 111.7 | Y44 Y45 K46 Q50 G51 L53 H81 C82 A85 | Y44-Y48 PolarHBondContact O-N 3.34Å; Y44-Y48 VanDerWaalsContact O-N 3.08Å; Y45-Y48 HydrophobicContact CD2-CD1 4.27Å; Y45-Y48 AromaticContact CE2-CD1 3.95Å; Y45-Y48 HydrophobicContact CE2-CD1 3.95Å; Y45-Y48 HydrophobicContact CE2-CE1 4.27Å; Y45-Y48 WeakPolarHBondContact O-CA 3.29Å; Y45-Y48 VanDerWaalsContact O-CB 3.3Å; Y45-Y48 WeakPolarHBondContact O-CB 3.46Å; Y45-Y48 PolarHBondContact O-N 3.49Å; Y45-Y48 VanDerWaalsContact O-N 3.16Å; K46-Y48 VanDerWaalsContact C-N 3.3Å; K46-Y48 PolarHBondContact O-N 3.34Å; Y48-Q50 PolarHBondContact O-N 3.22Å; Y48-G51 WeakPolarHBondContact O-CA 3.03Å; Y48-G51 PolarHBondContact O-N 3.2Å; Y48-L53 HydrophobicContact CD2-CD2 3.96Å; Y48-H81 AromaticContact CE1-CD2 3.92Å; Y48-H81 AromaticContact CZ-CD2 3.58Å; Y48-H81 AromaticContact CZ-NE2 3.9Å; Y48-H81 PolarHBondContact OH-CD2 2.76Å; Y48-H81 PolarHBondContact OH-NE2 2.63Å; Y48-C82 WeakPolarHBondContact CD1-SG 3.45Å; Y48-C82 HydrophobicContact CD2-CB 4.4Å; Y48-C82 HydrophobicContact CG-CB 4.18Å; Y48-A85 HydrophobicContact CD2-CB 3.85Å; Y48-A85 HydrophobicContact CE2-CB 3.43Å; Y48-A85 VanDerWaalsContact CE2-CB 3.43Å |
| 49 | Q | 94.4 | Very high | 95.7 | Very high | 109 Ų | 109 | 35.3 Ų | 35.3 | 51% | 0.509 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.3 | -32.3 | -180 | -71.2 | -177.3 | -45.4 | 0 | 0 | 112.9 | Y45 K46 G51 | Y45-Q49 HydrophobicContact CD1-CG 4.07Å; Y45-Q49 HydrophobicContact CE1-CG 3.82Å; Y45-Q49 VanDerWaalsContact CE1-NE2 3.34Å; Y45-Q49 WeakPolarHBondContact O-CG 3.43Å; Y45-Q49 PolarHBondContact O-N 2.6Å; K46-Q49 PolarHBondContact O-N 3.49Å; Q49-G51 VanDerWaalsContact C-N 3.27Å; Q49-G51 PolarHBondContact O-N 2.75Å |
| 50 | Q | 94.8 | Very high | 95.9 | Very high | 73 Ų | 73 | 32.5 Ų | 32.5 | 34% | 0.341 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 5.7 | 174.6 | -68.3 | -174.2 | -8.5 | 0 | 0 | 113.7 | D23 K46 L47 Y48 R52 | D23-Q50 PolarHBondContact OD1-NE2 3.26Å; K46-Q50 WeakPolarHBondContact O-CG 3.32Å; K46-Q50 PolarHBondContact O-N 2.82Å; L47-Q50 PolarHBondContact O-N 2.7Å; Y48-Q50 PolarHBondContact O-N 3.22Å; Q50-R52 VanDerWaalsContact C-N 3.28Å; Q50-R52 HydrophobicContact CB-CG 3.99Å; Q50-R52 PolarHBondContact O-N 3.27Å; Q50-R52 VanDerWaalsContact OE1-CD 3.26Å |
| 51 | G | 94.7 | Very high | 96.1 | Very high | 53 Ų | 53 | 33.8 Ų | 33.8 | 55% | 0.546 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 16.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L47 Y48 Q49 L53 | L47-G51 PolarHBondContact O-N 2.6Å; Y48-G51 WeakPolarHBondContact O-CA 3.03Å; Y48-G51 PolarHBondContact O-N 3.2Å; Q49-G51 VanDerWaalsContact C-N 3.27Å; Q49-G51 PolarHBondContact O-N 2.75Å; G51-L53 PolarHBondContact O-N 3.41Å |
| 52 | R | 96.3 | Very high | 96.1 | Very high | 60 Ų | 60 | 38.2 Ų | 38.2 | 23% | 0.226 | 21% | 0.21 | C | C | . | . | trans | -84.9 | 51.1 | -174.1 | -59.5 | 178.5 | 65.7 | 175.1 | 2.8 | 112.2 | V22 L47 Q50 C54 Q55 L56 | V22-R52 VanDerWaalsContact CG1-NH1 3.34Å; V22-R52 PolarHBondContact O-NH1 3.46Å; L47-R52 HydrophobicContact CB-CB 4.38Å; L47-R52 HydrophobicContact CD2-CB 3.89Å; L47-R52 WeakPolarHBondContact O-CB 3.36Å; L47-R52 PolarHBondContact O-N 3.09Å; Q50-R52 VanDerWaalsContact C-N 3.28Å; Q50-R52 HydrophobicContact CB-CG 3.99Å; Q50-R52 PolarHBondContact O-N 3.27Å; Q50-R52 VanDerWaalsContact OE1-CD 3.26Å; R52-C54 PolarHBondContact O-N 3.26Å; R52-Q55 PolarHBondContact O-N 3.39Å; R52-L56 PolarHBondContact O-N 2.69Å | ||
| 53 | L | 95.8 | Very high | 96.2 | Very high | 31 Ų | 31 | 37.2 Ų | 37.2 | 16% | 0.162 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -33.5 | -169.2 | -60.9 | -177.1 | 0 | 0 | 0 | 113.9 | Y48 G51 Q55 L56 G57 A85 L86 H89 | Y48-L53 HydrophobicContact CD2-CD2 3.96Å; G51-L53 PolarHBondContact O-N 3.41Å; L53-Q55 PolarHBondContact O-N 3.33Å; L53-L56 PolarHBondContact O-N 3.31Å; L53-G57 PolarHBondContact O-N 2.96Å; L53-A85 HydrophobicContact CD2-CB 4.42Å; L53-L86 HydrophobicContact CB-CD2 4.09Å; L53-L86 HydrophobicContact CD2-CD2 4.22Å; L53-L86 VanDerWaalsContact O-CD2 3.24Å; L53-L86 WeakPolarHBondContact O-CD2 3.45Å; L53-H89 HydrophobicContact CD1-CB 3.89Å |
| 54 | C | 95.1 | Very high | 96.2 | Very high | 96 Ų | 96 | 42.7 Ų | 42.7 | 65% | 0.649 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -63 | -40.8 | 176.9 | -63.8 | 0 | 0 | 0 | 0 | 112.6 | R52 G58 | R52-C54 PolarHBondContact O-N 3.26Å; C54-G58 PolarHBondContact O-N 2.98Å |
| 55 | Q | 95.8 | Very high | 96.1 | Very high | 52 Ų | 52 | 43.1 Ų | 43.1 | 24% | 0.243 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73.3 | -42.4 | 179.9 | -69.6 | 174.5 | -46.9 | 0 | 0 | 111.2 | Y25 R52 L53 G58 E59 | Y25-Q55 HydrophobicContact CD1-CB 4.31Å; Y25-Q55 HydrophobicContact CD1-CG 4.27Å; Y25-Q55 HydrophobicContact CE1-CB 3.92Å; Y25-Q55 HydrophobicContact CE1-CG 4.16Å; R52-Q55 PolarHBondContact O-N 3.39Å; L53-Q55 PolarHBondContact O-N 3.33Å; Q55-G58 PolarHBondContact O-N 3.12Å; Q55-E59 PolarHBondContact O-N 3.45Å |
| 56 | L | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.1 | -45.6 | 174.4 | -178.9 | 64.1 | 0 | 0 | 0 | 111.6 | Y44 L47 R52 L53 G58 E59 F60 C82 L86 | Y44-L56 HydrophobicContact CG-CD1 4.19Å; L47-L56 HydrophobicContact CB-CB 4.36Å; R52-L56 PolarHBondContact O-N 2.69Å; L53-L56 PolarHBondContact O-N 3.31Å; L56-G58 VanDerWaalsContact C-N 3.29Å; L56-G58 PolarHBondContact O-N 3.12Å; L56-E59 PolarHBondContact O-N 3.49Å; L56-F60 HydrophobicContact CD1-CD1 3.82Å; L56-F60 HydrophobicContact CD1-CE1 3.48Å; L56-F60 VanDerWaalsContact CD1-CE1 3.48Å; L56-F60 HydrophobicContact CD1-CE2 4.35Å; L56-F60 HydrophobicContact CD1-CG 4.4Å; L56-F60 HydrophobicContact CD1-CZ 3.78Å; L56-F60 HydrophobicContact CG-CD1 4.43Å; L56-F60 HydrophobicContact CG-CE1 4.4Å; L56-F60 HydrophobicContact CG-CZ 4.47Å; L56-F60 PolarHBondContact O-N 3.47Å; L56-C82 HydrophobicContact CD2-CB 4.41Å; L56-L86 HydrophobicContact CB-CD2 4.2Å; L56-L86 HydrophobicContact CD2-CD1 4.24Å; L56-L86 HydrophobicContact CD2-CD2 4.13Å; L56-L86 HydrophobicContact CD2-CG 4.27Å; L56-L86 HydrophobicContact CG-CD1 4.06Å; L56-L86 HydrophobicContact CG-CD2 4.16Å; L56-L86 HydrophobicContact CG-CG 4.46Å |
| 57 | G | 97.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.5 | -38.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L53 E59 F60 C61 | L53-G57 PolarHBondContact O-N 2.96Å; G57-E59 VanDerWaalsContact C-N 3.27Å; G57-E59 PolarHBondContact O-N 3.22Å; G57-F60 PolarHBondContact O-N 2.93Å; G57-C61 WeakPolarHBondContact O-CB 3.34Å; G57-C61 PolarHBondContact O-N 2.83Å; G57-C61 PolarHBondContact O-SG 3.34Å |
| 58 | G | 96.2 | Very high | 96.1 | Very high | 32 Ų | 32 | 41.3 Ų | 41.3 | 33% | 0.33 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.3 | -29.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | C54 Q55 L56 | C54-G58 PolarHBondContact O-N 2.98Å; Q55-G58 PolarHBondContact O-N 3.12Å; L56-G58 VanDerWaalsContact C-N 3.29Å; L56-G58 PolarHBondContact O-N 3.12Å |
| 59 | E | 96.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -82 | -43.6 | 173.2 | -65.8 | -58 | 117.6 | 0 | 0 | 112.2 | Y25 R29 R33 Y44 Q55 L56 G57 C61 E62 V65 | Y25-E59 WeakPolarHBondContact OH-CG 3.25Å; Y25-E59 PolarHBondContact OH-OE1 2.89Å; R29-E59 IonicContact CZ-OE1 3.84Å; R29-E59 IonicContact NE-OE1 3.83Å; R29-E59 PolarHBondContact NE-OE1 2.94Å; R29-E59 IonicContact NH2-OE1 2.97Å; R29-E59 PolarHBondContact NH2-OE1 2.62Å; R33-E59 IonicContact CZ-OE1 3.26Å; R33-E59 IonicContact CZ-OE2 3.53Å; R33-E59 IonicContact NE-OE1 2.63Å; R33-E59 IonicContact NE-OE2 2.84Å; R33-E59 PolarHBondContact NE-OE2 3.36Å; R33-E59 IonicContact NH2-OE1 3.24Å; R33-E59 PolarHBondContact NH2-OE1 2.95Å; R33-E59 IonicContact NH2-OE2 3.19Å; R33-E59 PolarHBondContact NH2-OE2 2.91Å; Y44-E59 HydrophobicContact CD1-CG 4.44Å; Y44-E59 HydrophobicContact CE1-CB 4.02Å; Y44-E59 HydrophobicContact CE1-CG 3.67Å; Y44-E59 PolarHBondContact OH-OE2 2.82Å; Q55-E59 PolarHBondContact O-N 3.45Å; L56-E59 PolarHBondContact O-N 3.49Å; G57-E59 VanDerWaalsContact C-N 3.27Å; G57-E59 PolarHBondContact O-N 3.22Å; E59-C61 VanDerWaalsContact C-N 3.25Å; E59-C61 PolarHBondContact O-N 2.92Å; E59-E62 WeakPolarHBondContact O-CB 3.32Å; E59-E62 PolarHBondContact O-N 3.4Å; E59-V65 HydrophobicContact CB-CG1 4.15Å |
| 60 | F | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.1 | -21.6 | -175.8 | -82.1 | 23.5 | 0 | 0 | 0 | 112.9 | Y44 L56 G57 E62 F66 V69 L79 C82 L86 V93 L97 | Y44-F60 AromaticContact CD2-CE1 3.84Å; Y44-F60 HydrophobicContact CD2-CE1 3.84Å; Y44-F60 HydrophobicContact CG-CE1 4.15Å; L56-F60 HydrophobicContact CD1-CD1 3.82Å; L56-F60 HydrophobicContact CD1-CE1 3.48Å; L56-F60 VanDerWaalsContact CD1-CE1 3.48Å; L56-F60 HydrophobicContact CD1-CE2 4.35Å; L56-F60 HydrophobicContact CD1-CG 4.4Å; L56-F60 HydrophobicContact CD1-CZ 3.78Å; L56-F60 HydrophobicContact CG-CD1 4.43Å; L56-F60 HydrophobicContact CG-CE1 4.4Å; L56-F60 HydrophobicContact CG-CZ 4.47Å; L56-F60 PolarHBondContact O-N 3.47Å; G57-F60 PolarHBondContact O-N 2.93Å; F60-E62 VanDerWaalsContact C-N 3.27Å; F60-E62 PolarHBondContact O-N 3.04Å; F60-F66 HydrophobicContact CB-CD2 3.97Å; F60-F66 HydrophobicContact CB-CE2 4.24Å; F60-F66 HydrophobicContact CD1-CD2 4.31Å; F60-F66 HydrophobicContact CD2-CD2 4.15Å; F60-F66 AromaticContact CD2-CE2 3.71Å; F60-F66 HydrophobicContact CD2-CE2 3.71Å; F60-F66 HydrophobicContact CE2-CE2 4.17Å; F60-F66 AromaticContact CG-CD2 3.9Å; F60-F66 HydrophobicContact CG-CD2 3.9Å; F60-F66 AromaticContact CG-CE2 3.95Å; F60-F66 HydrophobicContact CG-CE2 3.95Å; F60-V69 HydrophobicContact CE1-CG1 4.32Å; F60-V69 HydrophobicContact CE1-CG2 4.16Å; F60-V69 HydrophobicContact CZ-CG1 4.21Å; F60-L79 HydrophobicContact CE2-CD1 3.62Å; F60-L79 HydrophobicContact CZ-CD1 3.79Å; F60-C82 HydrophobicContact CE2-CB 4.43Å; F60-L86 HydrophobicContact CB-CD1 3.91Å; F60-L86 HydrophobicContact CD2-CD1 3.41Å; F60-L86 VanDerWaalsContact CD2-CD1 3.41Å; F60-L86 HydrophobicContact CE2-CD1 4.18Å; F60-L86 HydrophobicContact CG-CD1 3.89Å; F60-V93 HydrophobicContact CB-CG1 3.95Å; F60-L97 WeakPolarHBondContact O-CD2 3.48Å |
| 61 | C | 97.9 | Very high | 96.1 | Very high | 28 Ų | 28 | 37.6 Ų | 37.6 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -15 | 171.1 | -77.3 | 0 | 0 | 0 | 0 | 113.8 | G57 E59 V96 | G57-C61 WeakPolarHBondContact O-CB 3.34Å; G57-C61 PolarHBondContact O-N 2.83Å; G57-C61 PolarHBondContact O-SG 3.34Å; E59-C61 VanDerWaalsContact C-N 3.25Å; E59-C61 PolarHBondContact O-N 2.92Å; C61-V96 HydrophobicContact CB-CG1 3.88Å |
| 62 | E | 97.3 | Very high | 95.9 | Very high | 95 Ų | 95 | 35.2 Ų | 35.2 | 44% | 0.444 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -85.6 | 115.2 | 178.6 | -66.8 | -69.1 | 163.6 | 0 | 0 | 110.3 | E59 F60 E64 V65 F66 | E59-E62 WeakPolarHBondContact O-CB 3.32Å; E59-E62 PolarHBondContact O-N 3.4Å; F60-E62 VanDerWaalsContact C-N 3.27Å; F60-E62 PolarHBondContact O-N 3.04Å; E62-E64 VanDerWaalsContact C-N 3.32Å; E62-E64 PolarHBondContact O-N 3.44Å; E62-V65 HydrophobicContact CB-CB 3.94Å; E62-V65 HydrophobicContact CB-CG2 3.76Å; E62-V65 PolarHBondContact O-N 3.22Å; E62-V65 VanDerWaalsContact O-N 3.08Å; E62-F66 PolarHBondContact O-N 2.88Å |
| 63 | L | 96.9 | Very high | 95.1 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 9% | 0.089 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.9 | -42.5 | -171.4 | -172.7 | 65.5 | 0 | 0 | 0 | 113.4 | A67 L97 F101 F122 L126 | L63-A67 VanDerWaalsContact O-CB 3.3Å; L63-A67 WeakPolarHBondContact O-CB 3.34Å; L63-A67 PolarHBondContact O-N 3.35Å; L63-L97 HydrophobicContact CB-CD2 4.48Å; L63-L97 HydrophobicContact CD1-CD2 4Å; L63-F101 HydrophobicContact CD1-CB 4.21Å; L63-F101 HydrophobicContact CD2-CB 4.27Å; L63-F122 HydrophobicContact CD1-CE1 3.74Å; L63-F122 HydrophobicContact CD1-CZ 3.73Å; L63-F122 HydrophobicContact CD2-CE1 4.12Å; L63-F122 HydrophobicContact CG-CE1 3.84Å; L63-F122 HydrophobicContact CG-CZ 4.06Å; L63-L126 HydrophobicContact CD1-CD2 3.82Å |
| 64 | E | 95.2 | Very high | 94.5 | Very high | 114 Ų | 114 | 40.1 Ų | 40.1 | 53% | 0.533 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.9 | -35.7 | -179.9 | -63.2 | -60.5 | 160.6 | 0 | 0 | 112.7 | E62 K68 R104 | E62-E64 VanDerWaalsContact C-N 3.32Å; E62-E64 PolarHBondContact O-N 3.44Å; E64-K68 PolarHBondContact O-N 2.87Å; E64-R104 IonicContact OE1-CZ 3.87Å; E64-R104 VanDerWaalsContact OE1-CZ 3.24Å; E64-R104 IonicContact OE1-NH1 2.76Å; E64-R104 PolarHBondContact OE1-NH1 3.44Å; E64-R104 IonicContact OE1-NH2 2.8Å; E64-R104 PolarHBondContact OE1-NH2 3.33Å |
| 65 | V | 96.1 | Very high | 94.1 | Very high | 10 Ų | 10 | 36.6 Ų | 36.6 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.2 | -47.3 | 175.8 | 176.1 | 0 | 0 | 0 | 0 | 109.1 | R33 Y44 E59 E62 A67 K68 V69 | R33-V65 HydrophobicContact CG-CG2 4.31Å; Y44-V65 HydrophobicContact CE2-CG1 3.66Å; Y44-V65 VanDerWaalsContact OH-CG1 3.23Å; Y44-V65 WeakPolarHBondContact OH-CG1 3.42Å; E59-V65 HydrophobicContact CB-CG1 4.15Å; E62-V65 HydrophobicContact CB-CB 3.94Å; E62-V65 HydrophobicContact CB-CG2 3.76Å; E62-V65 PolarHBondContact O-N 3.22Å; E62-V65 VanDerWaalsContact O-N 3.08Å; V65-A67 VanDerWaalsContact C-N 3.33Å; V65-A67 PolarHBondContact O-N 3.13Å; V65-K68 WeakPolarHBondContact O-CB 2.93Å; V65-K68 PolarHBondContact O-N 3.43Å; V65-K68 VanDerWaalsContact O-N 3.1Å; V65-V69 WeakPolarHBondContact O-CG2 3.18Å; V65-V69 PolarHBondContact O-N 3.34Å |
| 66 | F | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.9 | -37.4 | 178.8 | -157.8 | -97.7 | 0 | 0 | 0 | 112.2 | F60 E62 K68 V69 L70 L79 F83 L97 L126 F129 | F60-F66 HydrophobicContact CB-CD2 3.97Å; F60-F66 HydrophobicContact CB-CE2 4.24Å; F60-F66 HydrophobicContact CD1-CD2 4.31Å; F60-F66 HydrophobicContact CD2-CD2 4.15Å; F60-F66 AromaticContact CD2-CE2 3.71Å; F60-F66 HydrophobicContact CD2-CE2 3.71Å; F60-F66 HydrophobicContact CE2-CE2 4.17Å; F60-F66 AromaticContact CG-CD2 3.9Å; F60-F66 HydrophobicContact CG-CD2 3.9Å; F60-F66 AromaticContact CG-CE2 3.95Å; F60-F66 HydrophobicContact CG-CE2 3.95Å; E62-F66 PolarHBondContact O-N 2.88Å; F66-K68 PolarHBondContact O-N 3.48Å; F66-V69 WeakPolarHBondContact O-CB 3.28Å; F66-V69 PolarHBondContact O-N 3.5Å; F66-L70 HydrophobicContact CD1-CD1 3.71Å; F66-L70 HydrophobicContact CD1-CD2 4.43Å; F66-L70 HydrophobicContact CD1-CG 3.89Å; F66-L70 HydrophobicContact CE1-CD1 3.84Å; F66-L70 HydrophobicContact CE1-CD2 3.84Å; F66-L70 HydrophobicContact CE1-CG 3.81Å; F66-L70 HydrophobicContact CZ-CD2 4.48Å; F66-L70 WeakPolarHBondContact O-CG 2.88Å; F66-L70 PolarHBondContact O-N 2.91Å; F66-L79 HydrophobicContact CE2-CD1 4.2Å; F66-L79 HydrophobicContact CZ-CD1 4.38Å; F66-F83 HydrophobicContact CE2-CD2 4.12Å; F66-F83 AromaticContact CZ-CD2 3.95Å; F66-F83 HydrophobicContact CZ-CD2 3.95Å; F66-F83 HydrophobicContact CZ-CE2 4.21Å; F66-L97 HydrophobicContact CB-CD1 4.18Å; F66-L97 HydrophobicContact CB-CD2 3.86Å; F66-L97 HydrophobicContact CD1-CD1 3.42Å; F66-L97 VanDerWaalsContact CD1-CD1 3.42Å; F66-L97 HydrophobicContact CD1-CD2 4.47Å; F66-L97 HydrophobicContact CD2-CD1 3.95Å; F66-L97 HydrophobicContact CE1-CD1 3.68Å; F66-L97 HydrophobicContact CE2-CD1 4.19Å; F66-L97 HydrophobicContact CG-CD1 3.56Å; F66-L97 HydrophobicContact CG-CD2 4.19Å; F66-L97 HydrophobicContact CZ-CD1 4.06Å; F66-L126 HydrophobicContact CD1-CD1 4.01Å; F66-L126 HydrophobicContact CE1-CD1 4.13Å; F66-F129 AromaticContact CE1-CD1 3.85Å; F66-F129 HydrophobicContact CE1-CD1 3.85Å; F66-F129 AromaticContact CE1-CE1 3.97Å; F66-F129 HydrophobicContact CE1-CE1 3.97Å; F66-F129 AromaticContact CZ-CD1 3.91Å; F66-F129 HydrophobicContact CZ-CD1 3.91Å; F66-F129 AromaticContact CZ-CE1 3.53Å; F66-F129 HydrophobicContact CZ-CE1 3.53Å; F66-F129 HydrophobicContact CZ-CZ 4.08Å |
| 67 | A | 95.7 | Very high | 93.1 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 7% | 0.066 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.8 | -34.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L63 V65 R71 F122 | L63-A67 VanDerWaalsContact O-CB 3.3Å; L63-A67 WeakPolarHBondContact O-CB 3.34Å; L63-A67 PolarHBondContact O-N 3.35Å; V65-A67 VanDerWaalsContact C-N 3.33Å; V65-A67 PolarHBondContact O-N 3.13Å; A67-R71 PolarHBondContact O-NH1 3.48Å; A67-F122 HydrophobicContact CB-CD2 4.11Å; A67-F122 HydrophobicContact CB-CE2 3.33Å; A67-F122 HydrophobicContact CB-CZ 3.58Å |
| 68 | K | 95.2 | Very high | 92.8 | Very high | 31 Ų | 31 | 44.3 Ų | 44.3 | 14% | 0.135 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.9 | -42 | 175.8 | -174 | 165.5 | 171.3 | 179.8 | 0 | 112.1 | R33 L35 E37 E64 V65 F66 L70 R71 | R33-K68 PolarHBondContact O-NZ 2.94Å; L35-K68 WeakPolarHBondContact O-CE 3.39Å; L35-K68 PolarHBondContact O-NZ 3.47Å; E37-K68 HydrophobicContact CG-CG 3.85Å; E64-K68 PolarHBondContact O-N 2.87Å; V65-K68 WeakPolarHBondContact O-CB 2.93Å; V65-K68 PolarHBondContact O-N 3.43Å; V65-K68 VanDerWaalsContact O-N 3.1Å; F66-K68 PolarHBondContact O-N 3.48Å; K68-L70 VanDerWaalsContact C-N 3.26Å; K68-L70 PolarHBondContact O-N 3.44Å; K68-R71 WeakPolarHBondContact O-CB 3.25Å; K68-R71 PolarHBondContact O-N 3.19Å |
| 69 | V | 94.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.6 | -40.3 | 173.4 | 165.4 | 0 | 0 | 0 | 0 | 111.7 | F41 Y44 F60 V65 F66 R71 A72 L79 | F41-V69 HydrophobicContact CD2-CG1 3.98Å; F41-V69 HydrophobicContact CE2-CG1 4.2Å; Y44-V69 HydrophobicContact CD2-CG2 3.67Å; Y44-V69 HydrophobicContact CE2-CG2 3.72Å; F60-V69 HydrophobicContact CE1-CG1 4.32Å; F60-V69 HydrophobicContact CE1-CG2 4.16Å; F60-V69 HydrophobicContact CZ-CG1 4.21Å; V65-V69 WeakPolarHBondContact O-CG2 3.18Å; V65-V69 PolarHBondContact O-N 3.34Å; F66-V69 WeakPolarHBondContact O-CB 3.28Å; F66-V69 PolarHBondContact O-N 3.5Å; V69-R71 PolarHBondContact O-N 2.89Å; V69-R71 VanDerWaalsContact O-N 3.17Å; V69-A72 PolarHBondContact O-N 3.33Å; V69-L79 HydrophobicContact CG1-CD1 3.45Å; V69-L79 VanDerWaalsContact CG1-CD1 3.45Å; V69-L79 HydrophobicContact CG1-CD2 3.79Å; V69-L79 HydrophobicContact CG1-CG 4.23Å |
| 70 | L | 95.1 | Very high | 92.6 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 9% | 0.094 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.3 | 177.8 | -72.8 | 170.7 | 0 | 0 | 0 | 114.5 | F66 K68 L79 F122 V125 L126 F129 | F66-L70 HydrophobicContact CD1-CD1 3.71Å; F66-L70 HydrophobicContact CD1-CD2 4.43Å; F66-L70 HydrophobicContact CD1-CG 3.89Å; F66-L70 HydrophobicContact CE1-CD1 3.84Å; F66-L70 HydrophobicContact CE1-CD2 3.84Å; F66-L70 HydrophobicContact CE1-CG 3.81Å; F66-L70 HydrophobicContact CZ-CD2 4.48Å; F66-L70 WeakPolarHBondContact O-CG 2.88Å; F66-L70 PolarHBondContact O-N 2.91Å; K68-L70 VanDerWaalsContact C-N 3.26Å; K68-L70 PolarHBondContact O-N 3.44Å; L70-L79 HydrophobicContact CD2-CD2 3.87Å; L70-F122 HydrophobicContact CD1-CE2 4.4Å; L70-V125 HydrophobicContact CB-CG1 4.11Å; L70-V125 HydrophobicContact CD1-CG1 4.22Å; L70-L126 HydrophobicContact CD1-CB 4.41Å; L70-L126 HydrophobicContact CD1-CD1 4.16Å; L70-F129 HydrophobicContact CD2-CB 3.6Å; L70-F129 HydrophobicContact CD2-CD1 4.13Å; L70-F129 HydrophobicContact CD2-CD2 3.7Å; L70-F129 HydrophobicContact CD2-CE2 4.46Å; L70-F129 HydrophobicContact CD2-CG 3.5Å |
| 71 | R | 93.7 | Very high | 92.3 | Very high | 138 Ų | 138 | 45.9 Ų | 45.9 | 52% | 0.521 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -12.5 | 177.6 | -66.5 | -168 | -63.6 | -92.8 | 12.3 | 113.6 | E37 A67 K68 V69 S73 | E37-R71 HydrophobicContact CG-CB 3.77Å; E37-R71 IonicContact OE1-CZ 2.81Å; E37-R71 IonicContact OE1-NE 3.47Å; E37-R71 PolarHBondContact OE1-NE 2.93Å; E37-R71 IonicContact OE1-NH2 2.72Å; E37-R71 PolarHBondContact OE1-NH2 3.01Å; A67-R71 PolarHBondContact O-NH1 3.48Å; K68-R71 WeakPolarHBondContact O-CB 3.25Å; K68-R71 PolarHBondContact O-N 3.19Å; V69-R71 PolarHBondContact O-N 2.89Å; V69-R71 VanDerWaalsContact O-N 3.17Å; R71-S73 PolarHBondContact O-N 2.96Å |
| 72 | A | 90 | Very high | 92.1 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.025 | 22% | 0.216 | C | C | . | . | trans | -77.8 | 68.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | N38 F41 V69 D74 K75 | N38-A72 WeakPolarHBondContact OD1-CB 3.32Å; F41-A72 HydrophobicContact CB-CB 4.21Å; F41-A72 HydrophobicContact CD2-CB 4.42Å; F41-A72 HydrophobicContact CG-CB 4.41Å; V69-A72 PolarHBondContact O-N 3.33Å; A72-D74 VanDerWaalsContact C-N 3.34Å; A72-D74 PolarHBondContact O-N 3.35Å; A72-K75 HydrophobicContact CB-CB 4.36Å; A72-K75 HydrophobicContact CB-CD 4.42Å; A72-K75 HydrophobicContact CB-CG 4.46Å; A72-K75 PolarHBondContact O-N 3.4Å | ||
| 73 | S | 80.8 | Confident | 92.1 | Very high | 95 Ų | 95 | 40.1 Ų | 40.1 | 66% | 0.664 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -64.3 | -32.3 | -166.5 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | R71 K75 R76 | R71-S73 PolarHBondContact O-N 2.96Å; S73-K75 PolarHBondContact O-N 2.87Å; S73-R76 WeakPolarHBondContact O-CB 3.32Å; S73-R76 PolarHBondContact O-N 3.37Å |
| 74 | D | 83.1 | Confident | 92 | Very high | 100 Ų | 100 | 39.5 Ų | 39.5 | 54% | 0.535 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -67.3 | -19.1 | 175.1 | 60.7 | -43 | 0 | 0 | 0 | 112.9 | A72 | A72-D74 VanDerWaalsContact C-N 3.34Å; A72-D74 PolarHBondContact O-N 3.35Å |
| 75 | K | 86.4 | Confident | 92 | Very high | 21 Ų | 21 | 35 Ų | 35 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -102.8 | 11.2 | -178 | -51.8 | -171.2 | -174.6 | -173.1 | 0 | 113.5 | N38 F41 D42 A72 S73 H77 L78 L79 | N38-K75 PolarHBondContact O-NZ 3.45Å; F41-K75 HydrophobicContact CB-CD 4.12Å; F41-K75 HydrophobicContact CD1-CB 3.91Å; F41-K75 HydrophobicContact CD1-CD 3.28Å; F41-K75 HydrophobicContact CD1-CG 4.2Å; F41-K75 HydrophobicContact CE1-CB 3.76Å; F41-K75 HydrophobicContact CE1-CD 3.88Å; F41-K75 HydrophobicContact CE1-CG 4.41Å; F41-K75 HydrophobicContact CE2-CB 4.4Å; F41-K75 HydrophobicContact CG-CB 4.3Å; F41-K75 HydrophobicContact CG-CD 3.79Å; F41-K75 HydrophobicContact CZ-CB 4.03Å; D42-K75 IonicContact OD1-NZ 3.9Å; D42-K75 PolarHBondContact OD1-NZ 3.26Å; D42-K75 IonicContact OD2-NZ 3.56Å; D42-K75 PolarHBondContact OD2-NZ 3.48Å; A72-K75 HydrophobicContact CB-CB 4.36Å; A72-K75 HydrophobicContact CB-CD 4.42Å; A72-K75 HydrophobicContact CB-CG 4.46Å; A72-K75 PolarHBondContact O-N 3.4Å; S73-K75 PolarHBondContact O-N 2.87Å; K75-H77 VanDerWaalsContact C-N 3.29Å; K75-H77 PolarHBondContact O-N 3.4Å; K75-L78 WeakPolarHBondContact O-CB 3.16Å; K75-L78 PolarHBondContact O-N 3.45Å; K75-L79 PolarHBondContact O-N 2.9Å |
| 76 | R | 87.8 | Confident | 92 | Very high | 79 Ų | 79 | 34.5 Ų | 34.5 | 30% | 0.298 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -57.2 | -38.1 | -174.3 | -169.3 | 174 | -173.6 | 129.6 | -3.7 | 113.8 | S73 L79 H80 D132 | S73-R76 WeakPolarHBondContact O-CB 3.32Å; S73-R76 PolarHBondContact O-N 3.37Å; R76-L79 WeakPolarHBondContact O-CB 3.35Å; R76-L79 PolarHBondContact O-N 3.05Å; R76-H80 PolarHBondContact O-CD2 3.3Å; R76-H80 PolarHBondContact O-N 3.22Å; R76-D132 IonicContact CZ-OD2 3.05Å; R76-D132 IonicContact NE-OD2 2.7Å; R76-D132 IonicContact NH2-OD2 2.88Å; R76-D132 PolarHBondContact NH2-OD2 3.41Å |
| 77 | H | 84.5 | Confident | 91.9 | Very high | 96 Ų | 96 | 35.6 Ų | 35.6 | 44% | 0.444 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.7 | 66.1 | -78.9 | 0 | 0 | 0 | 112.2 | K75 L79 H80 H81 | K75-H77 VanDerWaalsContact C-N 3.29Å; K75-H77 PolarHBondContact O-N 3.4Å; H77-L79 VanDerWaalsContact C-N 3.33Å; H77-H80 PolarHBondContact O-N 3.07Å; H77-H81 PolarHBondContact O-N 3.13Å |
| 78 | L | 90.5 | Very high | 91.7 | Very high | 42 Ų | 42 | 38.3 Ų | 38.3 | 22% | 0.22 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.9 | -37.6 | 173.3 | -57.8 | -179.5 | 0 | 0 | 0 | 111.3 | F41 Y45 K75 H81 C82 | F41-L78 HydrophobicContact CE1-CB 3.86Å; F41-L78 HydrophobicContact CE1-CD1 4.19Å; F41-L78 HydrophobicContact CZ-CB 3.78Å; Y45-L78 HydrophobicContact CD2-CB 3.99Å; Y45-L78 HydrophobicContact CD2-CD1 4.45Å; Y45-L78 HydrophobicContact CE2-CB 3.79Å; Y45-L78 HydrophobicContact CE2-CD1 4.32Å; Y45-L78 HydrophobicContact CE2-CD2 3.95Å; Y45-L78 HydrophobicContact CE2-CG 4.23Å; K75-L78 WeakPolarHBondContact O-CB 3.16Å; K75-L78 PolarHBondContact O-N 3.45Å; L78-H81 PolarHBondContact O-N 2.85Å; L78-C82 PolarHBondContact O-N 3.06Å; L78-C82 PolarHBondContact O-SG 3.31Å; L78-C82 VanDerWaalsContact O-SG 3.38Å |
| 79 | L | 94.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 177.1 | 179.7 | 54.1 | 0 | 0 | 0 | 111.4 | F41 F60 F66 V69 L70 K75 R76 H77 H81 C82 F83 F129 | F41-L79 HydrophobicContact CE2-CB 3.74Å; F41-L79 HydrophobicContact CE2-CD1 4.01Å; F41-L79 HydrophobicContact CE2-CG 4.33Å; F41-L79 HydrophobicContact CZ-CB 4.09Å; F60-L79 HydrophobicContact CE2-CD1 3.62Å; F60-L79 HydrophobicContact CZ-CD1 3.79Å; F66-L79 HydrophobicContact CE2-CD1 4.2Å; F66-L79 HydrophobicContact CZ-CD1 4.38Å; V69-L79 HydrophobicContact CG1-CD1 3.45Å; V69-L79 VanDerWaalsContact CG1-CD1 3.45Å; V69-L79 HydrophobicContact CG1-CD2 3.79Å; V69-L79 HydrophobicContact CG1-CG 4.23Å; L70-L79 HydrophobicContact CD2-CD2 3.87Å; K75-L79 PolarHBondContact O-N 2.9Å; R76-L79 WeakPolarHBondContact O-CB 3.35Å; R76-L79 PolarHBondContact O-N 3.05Å; H77-L79 VanDerWaalsContact C-N 3.33Å; L79-H81 VanDerWaalsContact C-N 3.25Å; L79-H81 PolarHBondContact O-N 3.28Å; L79-C82 PolarHBondContact O-N 3.43Å; L79-F83 WeakPolarHBondContact O-CB 3.42Å; L79-F83 PolarHBondContact O-N 3.33Å; L79-F129 HydrophobicContact CB-CE2 4.33Å; L79-F129 HydrophobicContact CD1-CZ 4.47Å; L79-F129 HydrophobicContact CD2-CD2 4.07Å; L79-F129 HydrophobicContact CD2-CE2 3.57Å; L79-F129 HydrophobicContact CD2-CZ 4.04Å; L79-F129 HydrophobicContact CG-CE2 3.58Å; L79-F129 HydrophobicContact CG-CZ 3.75Å |
| 80 | H | 94.3 | Very high | 91.6 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.8 | -42.3 | 174.8 | -77.8 | -62.5 | 0 | 0 | 0 | 111.5 | R76 H77 F83 Q84 F129 V321 F322 | R76-H80 PolarHBondContact O-CD2 3.3Å; R76-H80 PolarHBondContact O-N 3.22Å; H77-H80 PolarHBondContact O-N 3.07Å; H80-F83 PolarHBondContact O-N 3.25Å; H80-Q84 PolarHBondContact O-N 3.48Å; H80-F129 AromaticContact CE1-CD2 3.68Å; H80-F129 AromaticContact CE1-CE2 3.44Å; H80-F129 VanDerWaalsContact CE1-CE2 3.44Å; H80-F129 WeakPolarHBondContact CE1-CE2 3.41Å; H80-F129 AromaticContact ND1-CE2 3.53Å; H80-F129 AromaticContact ND1-CZ 3.86Å; H80-F129 AromaticContact NE2-CE2 3.91Å; H80-V321 CarbonylContact C-O 3.59Å; H80-V321 HydrophobicContact CB-CG1 3.76Å; H80-F322 HydrophobicContact CB-CD1 4.16Å; H80-F322 HydrophobicContact CB-CE1 4.2Å; H80-F322 AromaticContact CG-CE1 3.91Å; H80-F322 AromaticContact ND1-CE1 3.83Å |
| 81 | H | 91.6 | Very high | 91.5 | Very high | 55 Ų | 55 | 44.8 Ų | 44.8 | 26% | 0.255 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.5 | -49.2 | -179.3 | -162 | 82.8 | 0 | 0 | 0 | 112.5 | Y48 H77 L78 L79 F83 Q84 A85 S320 V321 | Y48-H81 AromaticContact CE1-CD2 3.92Å; Y48-H81 AromaticContact CZ-CD2 3.58Å; Y48-H81 AromaticContact CZ-NE2 3.9Å; Y48-H81 PolarHBondContact OH-CD2 2.76Å; Y48-H81 PolarHBondContact OH-NE2 2.63Å; H77-H81 PolarHBondContact O-N 3.13Å; L78-H81 PolarHBondContact O-N 2.85Å; L79-H81 VanDerWaalsContact C-N 3.25Å; L79-H81 PolarHBondContact O-N 3.28Å; H81-F83 VanDerWaalsContact C-N 3.35Å; H81-F83 PolarHBondContact O-N 3.07Å; H81-Q84 PolarHBondContact O-N 3.44Å; H81-A85 PolarHBondContact O-N 3.34Å; H81-S320 PolarHBondContact ND1-O 3.22Å; H81-V321 WeakPolarHBondContact CA-O 3.41Å; H81-V321 PolarHBondContact N-O 2.89Å |
| 82 | C | 93.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.5 | -38 | 176.9 | -62 | 0 | 0 | 0 | 0 | 112.4 | Y45 Y48 L56 F60 L78 L79 A85 L86 | Y45-C82 WeakPolarHBondContact CD2-SG 3.42Å; Y45-C82 WeakPolarHBondContact CE2-SG 3.3Å; Y48-C82 WeakPolarHBondContact CD1-SG 3.45Å; Y48-C82 HydrophobicContact CD2-CB 4.4Å; Y48-C82 HydrophobicContact CG-CB 4.18Å; L56-C82 HydrophobicContact CD2-CB 4.41Å; F60-C82 HydrophobicContact CE2-CB 4.43Å; L78-C82 PolarHBondContact O-N 3.06Å; L78-C82 PolarHBondContact O-SG 3.31Å; L78-C82 VanDerWaalsContact O-SG 3.38Å; L79-C82 PolarHBondContact O-N 3.43Å; C82-A85 PolarHBondContact O-N 3.36Å; C82-L86 WeakPolarHBondContact O-CG 3.29Å; C82-L86 PolarHBondContact O-N 3.06Å |
| 83 | F | 96.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.7 | -48.1 | 175.8 | 179.6 | -90.7 | 0 | 0 | 0 | 110.4 | F66 L79 H80 H81 A85 L86 M87 V93 A94 F129 L130 A133 W135 | F66-F83 HydrophobicContact CE2-CD2 4.12Å; F66-F83 AromaticContact CZ-CD2 3.95Å; F66-F83 HydrophobicContact CZ-CD2 3.95Å; F66-F83 HydrophobicContact CZ-CE2 4.21Å; L79-F83 WeakPolarHBondContact O-CB 3.42Å; L79-F83 PolarHBondContact O-N 3.33Å; H80-F83 PolarHBondContact O-N 3.25Å; H81-F83 VanDerWaalsContact C-N 3.35Å; H81-F83 PolarHBondContact O-N 3.07Å; F83-A85 VanDerWaalsContact C-N 3.33Å; F83-A85 PolarHBondContact O-N 3.49Å; F83-L86 WeakPolarHBondContact O-CB 3.49Å; F83-L86 PolarHBondContact O-N 3.21Å; F83-M87 HydrophobicContact CD1-CG 4.06Å; F83-M87 HydrophobicContact CE1-CG 3.76Å; F83-M87 HydrophobicContact CE1-SD 4.09Å; F83-M87 HydrophobicContact CZ-CG 4.26Å; F83-M87 HydrophobicContact CZ-SD 3.98Å; F83-M87 WeakPolarHBondContact O-CG 3.21Å; F83-M87 PolarHBondContact O-N 2.85Å; F83-M87 VanDerWaalsContact O-N 3.16Å; F83-V93 HydrophobicContact CD2-CB 4.45Å; F83-V93 HydrophobicContact CD2-CG1 4.11Å; F83-V93 HydrophobicContact CE2-CB 3.86Å; F83-V93 HydrophobicContact CE2-CG1 3.62Å; F83-V93 HydrophobicContact CZ-CB 4.47Å; F83-A94 HydrophobicContact CZ-CB 3.96Å; F83-F129 HydrophobicContact CB-CE1 4.45Å; F83-F129 HydrophobicContact CB-CZ 3.99Å; F83-F129 HydrophobicContact CD1-CE1 4.23Å; F83-F129 HydrophobicContact CD1-CZ 4.36Å; F83-F129 AromaticContact CD2-CE1 3.74Å; F83-F129 HydrophobicContact CD2-CE1 3.74Å; F83-F129 HydrophobicContact CD2-CZ 4.12Å; F83-F129 HydrophobicContact CE1-CE1 4.4Å; F83-F129 AromaticContact CE2-CE1 3.93Å; F83-F129 HydrophobicContact CE2-CE1 3.93Å; F83-F129 AromaticContact CG-CE1 3.88Å; F83-F129 HydrophobicContact CG-CE1 3.88Å; F83-F129 AromaticContact CG-CZ 3.91Å; F83-F129 HydrophobicContact CG-CZ 3.91Å; F83-F129 HydrophobicContact CZ-CE1 4.26Å; F83-L130 HydrophobicContact CE2-CD2 4.28Å; F83-L130 HydrophobicContact CZ-CD2 3.8Å; F83-A133 HydrophobicContact CD1-CB 4.34Å; F83-A133 HydrophobicContact CE1-CB 4.25Å; F83-W135 AromaticContact CE1-CD1 3.51Å; F83-W135 HydrophobicContact CE1-CG 4.33Å; F83-W135 AromaticContact CE1-NE1 3.47Å |
| 84 | Q | 95.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.8 | -45.6 | 175.8 | -174.4 | 74.3 | 33.8 | 0 | 0 | 111.4 | H80 H81 L86 M87 D88 F322 K325 N326 | H80-Q84 PolarHBondContact O-N 3.48Å; H81-Q84 PolarHBondContact O-N 3.44Å; Q84-L86 PolarHBondContact O-N 3.4Å; Q84-L86 VanDerWaalsContact O-N 3.15Å; Q84-M87 CarbonylContact O-C 3.55Å; Q84-M87 WeakPolarHBondContact O-CA 3.48Å; Q84-M87 WeakPolarHBondContact O-CB 3.34Å; Q84-M87 PolarHBondContact O-N 3.28Å; Q84-D88 PolarHBondContact NE2-OD1 3.44Å; Q84-D88 PolarHBondContact O-N 3.47Å; Q84-F322 WeakPolarHBondContact CB-O 3.48Å; Q84-F322 WeakPolarHBondContact CG-O 3.47Å; Q84-F322 PolarHBondContact OE1-O 2.77Å; Q84-K325 PolarHBondContact NE2-O 3.45Å; Q84-N326 PolarHBondContact OE1-ND2 3.37Å |
| 85 | A | 94.8 | Very high | 93.5 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 16% | 0.157 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.8 | -34.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y48 L53 H81 C82 F83 H89 | Y48-A85 HydrophobicContact CD2-CB 3.85Å; Y48-A85 HydrophobicContact CE2-CB 3.43Å; Y48-A85 VanDerWaalsContact CE2-CB 3.43Å; L53-A85 HydrophobicContact CD2-CB 4.42Å; H81-A85 PolarHBondContact O-N 3.34Å; C82-A85 PolarHBondContact O-N 3.36Å; F83-A85 VanDerWaalsContact C-N 3.33Å; F83-A85 PolarHBondContact O-N 3.49Å; A85-H89 WeakPolarHBondContact O-CB 3.23Å; A85-H89 PolarHBondContact O-N 3.25Å; A85-H89 VanDerWaalsContact O-N 3.09Å |
| 86 | L | 96 | Very high | 94 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.7 | -41.8 | 172.7 | -65.4 | 172.8 | 0 | 0 | 0 | 112.4 | L53 L56 F60 C82 F83 Q84 H89 G90 V91 V93 | L53-L86 HydrophobicContact CB-CD2 4.09Å; L53-L86 HydrophobicContact CD2-CD2 4.22Å; L53-L86 VanDerWaalsContact O-CD2 3.24Å; L53-L86 WeakPolarHBondContact O-CD2 3.45Å; L56-L86 HydrophobicContact CB-CD2 4.2Å; L56-L86 HydrophobicContact CD2-CD1 4.24Å; L56-L86 HydrophobicContact CD2-CD2 4.13Å; L56-L86 HydrophobicContact CD2-CG 4.27Å; L56-L86 HydrophobicContact CG-CD1 4.06Å; L56-L86 HydrophobicContact CG-CD2 4.16Å; L56-L86 HydrophobicContact CG-CG 4.46Å; F60-L86 HydrophobicContact CB-CD1 3.91Å; F60-L86 HydrophobicContact CD2-CD1 3.41Å; F60-L86 VanDerWaalsContact CD2-CD1 3.41Å; F60-L86 HydrophobicContact CE2-CD1 4.18Å; F60-L86 HydrophobicContact CG-CD1 3.89Å; C82-L86 WeakPolarHBondContact O-CG 3.29Å; C82-L86 PolarHBondContact O-N 3.06Å; F83-L86 WeakPolarHBondContact O-CB 3.49Å; F83-L86 PolarHBondContact O-N 3.21Å; Q84-L86 PolarHBondContact O-N 3.4Å; Q84-L86 VanDerWaalsContact O-N 3.15Å; L86-H89 PolarHBondContact O-N 3.03Å; L86-G90 PolarHBondContact O-N 2.89Å; L86-V91 HydrophobicContact CB-CB 4.17Å; L86-V91 HydrophobicContact CB-CG2 4.43Å; L86-V91 HydrophobicContact CD2-CG2 4.36Å; L86-V91 WeakPolarHBondContact O-CB 3.38Å; L86-V91 PolarHBondContact O-N 3.3Å; L86-V93 HydrophobicContact CB-CG2 4Å; L86-V93 HydrophobicContact CD1-CG2 3.95Å |
| 87 | M | 95.3 | Very high | 94.5 | Very high | 23 Ų | 23 | 35.6 Ų | 35.6 | 11% | 0.113 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 176.7 | -58 | -55.4 | -67.7 | 0 | 0 | 111 | F83 Q84 H89 G90 V93 A94 W135 | F83-M87 HydrophobicContact CD1-CG 4.06Å; F83-M87 HydrophobicContact CE1-CG 3.76Å; F83-M87 HydrophobicContact CE1-SD 4.09Å; F83-M87 HydrophobicContact CZ-CG 4.26Å; F83-M87 HydrophobicContact CZ-SD 3.98Å; F83-M87 WeakPolarHBondContact O-CG 3.21Å; F83-M87 PolarHBondContact O-N 2.85Å; F83-M87 VanDerWaalsContact O-N 3.16Å; Q84-M87 CarbonylContact O-C 3.55Å; Q84-M87 WeakPolarHBondContact O-CA 3.48Å; Q84-M87 WeakPolarHBondContact O-CB 3.34Å; Q84-M87 PolarHBondContact O-N 3.28Å; M87-H89 VanDerWaalsContact C-N 3.29Å; M87-H89 PolarHBondContact O-N 3.39Å; M87-G90 WeakPolarHBondContact O-CA 3.37Å; M87-G90 PolarHBondContact O-N 3.27Å; M87-V93 HydrophobicContact SD-CB 3.95Å; M87-V93 HydrophobicContact SD-CG2 4.36Å; M87-A94 HydrophobicContact CE-CB 3.87Å; M87-A94 HydrophobicContact SD-CB 4.39Å; M87-W135 HydrophobicContact CB-CH2 4.02Å; M87-W135 HydrophobicContact CB-CZ2 3.52Å; M87-W135 HydrophobicContact CE-CD2 3.83Å; M87-W135 HydrophobicContact CE-CE3 3.7Å; M87-W135 HydrophobicContact CE-CH2 3.35Å; M87-W135 HydrophobicContact CE-CZ2 3.46Å; M87-W135 VanDerWaalsContact CE-CZ2 3.46Å; M87-W135 HydrophobicContact CE-CZ3 3.48Å; M87-W135 VanDerWaalsContact CE-CZ3 3.48Å; M87-W135 HydrophobicContact CG-CH2 4.25Å; M87-W135 HydrophobicContact CG-CZ2 3.52Å; M87-W135 HydrophobicContact SD-CZ2 4.34Å |
| 88 | D | 92.8 | Very high | 95.2 | Very high | 65 Ų | 65 | 31 Ų | 31 | 35% | 0.348 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.6 | -33.9 | 176.1 | -71.5 | -4.7 | 0 | 0 | 0 | 112 | Q84 G90 K325 | Q84-D88 PolarHBondContact NE2-OD1 3.44Å; Q84-D88 PolarHBondContact O-N 3.47Å; D88-G90 PolarHBondContact O-N 3.28Å; D88-K325 WeakPolarHBondContact OD1-CB 3.43Å |
| 89 | H | 93.4 | Very high | 95.6 | Very high | 102 Ų | 102 | 32.6 Ų | 32.6 | 47% | 0.472 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -3.1 | 172.5 | -172.4 | -85.7 | 0 | 0 | 0 | 113.1 | L53 A85 L86 M87 | L53-H89 HydrophobicContact CD1-CB 3.89Å; A85-H89 WeakPolarHBondContact O-CB 3.23Å; A85-H89 PolarHBondContact O-N 3.25Å; A85-H89 VanDerWaalsContact O-N 3.09Å; L86-H89 PolarHBondContact O-N 3.03Å; M87-H89 VanDerWaalsContact C-N 3.29Å; M87-H89 PolarHBondContact O-N 3.39Å |
| 90 | G | 92.6 | Very high | 95.8 | Very high | 53 Ų | 53 | 34.8 Ų | 34.8 | 55% | 0.546 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 9.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L86 M87 D88 K92 | L86-G90 PolarHBondContact O-N 2.89Å; M87-G90 WeakPolarHBondContact O-CA 3.37Å; M87-G90 PolarHBondContact O-N 3.27Å; D88-G90 PolarHBondContact O-N 3.28Å; G90-K92 PolarHBondContact O-N 3.4Å |
| 91 | V | 94.1 | Very high | 96 | Very high | 31 Ų | 31 | 34.4 Ų | 34.4 | 19% | 0.188 | 20% | 0.196 | C | C | . | . | trans | -74.4 | 119.9 | 171.8 | -170 | 0 | 0 | 0 | 0 | 108.2 | L86 V93 | L86-V91 HydrophobicContact CB-CB 4.17Å; L86-V91 HydrophobicContact CB-CG2 4.43Å; L86-V91 HydrophobicContact CD2-CG2 4.36Å; L86-V91 WeakPolarHBondContact O-CB 3.38Å; L86-V91 PolarHBondContact O-N 3.3Å; V91-V93 HydrophobicContact CB-CG2 4.02Å; V91-V93 HydrophobicContact CG1-CG2 3.5Å; V91-V93 VanDerWaalsContact CG1-CG2 3.5Å; V91-V93 PolarHBondContact O-N 2.86Å | ||
| 92 | K | 95.4 | Very high | 96.3 | Very high | 151 Ų | 151 | 33.4 Ų | 33.4 | 66% | 0.657 | 20% | 0.195 | S | C | * | . | trans | -82.1 | 49.6 | -176.8 | -59.2 | -173.4 | 179.2 | -174.7 | 0 | 112.9 | G90 A94 S95 V96 | G90-K92 PolarHBondContact O-N 3.4Å; K92-A94 VanDerWaalsContact C-N 3.35Å; K92-A94 PolarHBondContact O-N 2.95Å; K92-S95 PolarHBondContact O-N 3.34Å; K92-V96 VanDerWaalsContact O-CG2 3.32Å; K92-V96 WeakPolarHBondContact O-CG2 3.37Å; K92-V96 PolarHBondContact O-N 2.97Å | ||
| 93 | V | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.7 | -48.2 | -172.1 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | F60 F83 L86 M87 V91 S95 V96 L97 | F60-V93 HydrophobicContact CB-CG1 3.95Å; F83-V93 HydrophobicContact CD2-CB 4.45Å; F83-V93 HydrophobicContact CD2-CG1 4.11Å; F83-V93 HydrophobicContact CE2-CB 3.86Å; F83-V93 HydrophobicContact CE2-CG1 3.62Å; F83-V93 HydrophobicContact CZ-CB 4.47Å; L86-V93 HydrophobicContact CB-CG2 4Å; L86-V93 HydrophobicContact CD1-CG2 3.95Å; M87-V93 HydrophobicContact SD-CB 3.95Å; M87-V93 HydrophobicContact SD-CG2 4.36Å; V91-V93 HydrophobicContact CB-CG2 4.02Å; V91-V93 HydrophobicContact CG1-CG2 3.5Å; V91-V93 VanDerWaalsContact CG1-CG2 3.5Å; V91-V93 PolarHBondContact O-N 2.86Å; V93-S95 PolarHBondContact O-N 3.33Å; V93-V96 PolarHBondContact O-N 3.31Å; V93-L97 HydrophobicContact CG1-CD1 3.72Å; V93-L97 HydrophobicContact CG1-CG 4.16Å; V93-L97 WeakPolarHBondContact O-CB 3.43Å; V93-L97 WeakPolarHBondContact O-CG 3.31Å; V93-L97 PolarHBondContact O-N 3.44Å |
| 94 | A | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -52 | -54.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F83 M87 K92 L97 A98 L130 W135 D138 | F83-A94 HydrophobicContact CZ-CB 3.96Å; M87-A94 HydrophobicContact CE-CB 3.87Å; M87-A94 HydrophobicContact SD-CB 4.39Å; K92-A94 VanDerWaalsContact C-N 3.35Å; K92-A94 PolarHBondContact O-N 2.95Å; A94-L97 PolarHBondContact O-N 3.21Å; A94-A98 WeakPolarHBondContact O-CB 3.41Å; A94-A98 PolarHBondContact O-N 3.2Å; A94-L130 HydrophobicContact CB-CD2 3.97Å; A94-W135 HydrophobicContact CB-CB 4.06Å; A94-W135 HydrophobicContact CB-CD2 4.18Å; A94-W135 HydrophobicContact CB-CE3 4.37Å; A94-W135 HydrophobicContact CB-CG 4.03Å; A94-D138 HydrophobicContact CB-CB 4.06Å; A94-D138 VanDerWaalsContact CB-OD2 3.3Å; A94-D138 WeakPolarHBondContact CB-OD2 3.3Å |
| 95 | S | 98.1 | Very high | 96.7 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 28% | 0.28 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.9 | -36.7 | -178.3 | -52.4 | 0 | 0 | 0 | 0 | 113.1 | K92 V93 N99 D138 | K92-S95 PolarHBondContact O-N 3.34Å; V93-S95 PolarHBondContact O-N 3.33Å; S95-N99 WeakPolarHBondContact O-CB 3.42Å; S95-N99 PolarHBondContact O-N 3.34Å; S95-N99 PolarHBondContact O-ND2 3.48Å; S95-D138 WeakPolarHBondContact CA-OD1 3.38Å; S95-D138 WeakPolarHBondContact CB-OD1 3.41Å; S95-D138 PolarHBondContact N-OD1 3.38Å; S95-D138 PolarHBondContact OG-OD1 3.17Å; S95-D138 PolarHBondContact OG-OD2 2.96Å |
| 96 | V | 98.6 | Very high | 96.6 | Very high | 52 Ų | 52 | 48.3 Ų | 48.3 | 32% | 0.315 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | C61 K92 V93 S100 | C61-V96 HydrophobicContact CB-CG1 3.88Å; K92-V96 VanDerWaalsContact O-CG2 3.32Å; K92-V96 WeakPolarHBondContact O-CG2 3.37Å; K92-V96 PolarHBondContact O-N 2.97Å; V93-V96 PolarHBondContact O-N 3.31Å; V96-S100 VanDerWaalsContact O-CB 3.26Å; V96-S100 WeakPolarHBondContact O-CB 3.3Å; V96-S100 PolarHBondContact O-N 3.17Å; V96-S100 PolarHBondContact O-OG 2.62Å |
| 97 | L | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.7 | -47.6 | 177.8 | -70.4 | 175.9 | 0 | 0 | 0 | 111.9 | F60 L63 F66 V93 A94 N99 S100 F101 L126 | F60-L97 WeakPolarHBondContact O-CD2 3.48Å; L63-L97 HydrophobicContact CB-CD2 4.48Å; L63-L97 HydrophobicContact CD1-CD2 4Å; F66-L97 HydrophobicContact CB-CD1 4.18Å; F66-L97 HydrophobicContact CB-CD2 3.86Å; F66-L97 HydrophobicContact CD1-CD1 3.42Å; F66-L97 VanDerWaalsContact CD1-CD1 3.42Å; F66-L97 HydrophobicContact CD1-CD2 4.47Å; F66-L97 HydrophobicContact CD2-CD1 3.95Å; F66-L97 HydrophobicContact CE1-CD1 3.68Å; F66-L97 HydrophobicContact CE2-CD1 4.19Å; F66-L97 HydrophobicContact CG-CD1 3.56Å; F66-L97 HydrophobicContact CG-CD2 4.19Å; F66-L97 HydrophobicContact CZ-CD1 4.06Å; V93-L97 HydrophobicContact CG1-CD1 3.72Å; V93-L97 HydrophobicContact CG1-CG 4.16Å; V93-L97 WeakPolarHBondContact O-CB 3.43Å; V93-L97 WeakPolarHBondContact O-CG 3.31Å; V93-L97 PolarHBondContact O-N 3.44Å; A94-L97 PolarHBondContact O-N 3.21Å; L97-N99 PolarHBondContact O-N 2.9Å; L97-S100 PolarHBondContact O-N 3.41Å; L97-F101 WeakPolarHBondContact O-CB 3.47Å; L97-F101 PolarHBondContact O-N 3.25Å; L97-L126 HydrophobicContact CB-CD1 4.35Å; L97-L126 HydrophobicContact CD1-CD1 4.2Å |
| 98 | A | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A94 S102 L130 D138 K141 V142 | A94-A98 WeakPolarHBondContact O-CB 3.41Å; A94-A98 PolarHBondContact O-N 3.2Å; A98-S102 VanDerWaalsContact O-CB 3.27Å; A98-S102 WeakPolarHBondContact O-CB 3.42Å; A98-S102 PolarHBondContact O-N 3.34Å; A98-L130 HydrophobicContact CB-CD1 4.49Å; A98-D138 HydrophobicContact CB-CB 3.89Å; A98-K141 HydrophobicContact CB-CB 4.46Å; A98-K141 HydrophobicContact CB-CD 4.38Å; A98-V142 HydrophobicContact CB-CG2 3.86Å |
| 99 | N | 98.6 | Very high | 96.4 | Very high | 76 Ų | 76 | 54 Ų | 54 | 41% | 0.406 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.1 | -46.1 | 174.8 | -72.5 | -33.9 | 0 | 0 | 0 | 112.3 | S95 L97 F101 S102 R103 K141 | S95-N99 WeakPolarHBondContact O-CB 3.42Å; S95-N99 PolarHBondContact O-N 3.34Å; S95-N99 PolarHBondContact O-ND2 3.48Å; L97-N99 PolarHBondContact O-N 2.9Å; N99-F101 VanDerWaalsContact C-N 3.35Å; N99-S102 PolarHBondContact O-N 3.21Å; N99-R103 WeakPolarHBondContact O-CB 3.39Å; N99-R103 PolarHBondContact O-N 3.13Å; N99-K141 VanDerWaalsContact OD1-CE 3.31Å; N99-K141 WeakPolarHBondContact OD1-CE 2.97Å; N99-K141 PolarHBondContact OD1-NZ 2.97Å |
| 100 | S | 98.4 | Very high | 96.3 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 35% | 0.35 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 177.8 | -65.3 | 0 | 0 | 0 | 0 | 111.6 | V96 L97 R104 | V96-S100 VanDerWaalsContact O-CB 3.26Å; V96-S100 WeakPolarHBondContact O-CB 3.3Å; V96-S100 PolarHBondContact O-N 3.17Å; V96-S100 PolarHBondContact O-OG 2.62Å; L97-S100 PolarHBondContact O-N 3.41Å; S100-R104 WeakPolarHBondContact O-CB 3.46Å; S100-R104 PolarHBondContact O-N 2.95Å |
| 101 | F | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.6 | -48.5 | 176.3 | 179.1 | -98 | 0 | 0 | 0 | 111.8 | L63 L97 N99 R103 R104 C105 A119 F122 L126 V142 | L63-F101 HydrophobicContact CD1-CB 4.21Å; L63-F101 HydrophobicContact CD2-CB 4.27Å; L97-F101 WeakPolarHBondContact O-CB 3.47Å; L97-F101 PolarHBondContact O-N 3.25Å; N99-F101 VanDerWaalsContact C-N 3.35Å; F101-R103 VanDerWaalsContact C-N 3.35Å; F101-R103 PolarHBondContact O-N 3.35Å; F101-R104 WeakPolarHBondContact O-CA 3.39Å; F101-R104 WeakPolarHBondContact O-CB 3.47Å; F101-R104 PolarHBondContact O-N 3.3Å; F101-C105 WeakPolarHBondContact CE1-SG 3.42Å; F101-C105 VanDerWaalsContact CZ-SG 3.52Å; F101-C105 PolarHBondContact O-N 2.86Å; F101-C105 PolarHBondContact O-SG 3.07Å; F101-A119 WeakPolarHBondContact CE2-O 3.27Å; F101-A119 WeakPolarHBondContact CZ-O 3.45Å; F101-F122 AromaticContact CD2-CD1 3.72Å; F101-F122 HydrophobicContact CD2-CD1 3.72Å; F101-F122 AromaticContact CD2-CE1 3.72Å; F101-F122 HydrophobicContact CD2-CE1 3.72Å; F101-F122 AromaticContact CE2-CD1 3.62Å; F101-F122 HydrophobicContact CE2-CD1 3.62Å; F101-F122 HydrophobicContact CE2-CE1 4.12Å; F101-F122 HydrophobicContact CE2-CG 4.47Å; F101-L126 HydrophobicContact CB-CD2 3.87Å; F101-L126 HydrophobicContact CD2-CD2 4.26Å; F101-L126 HydrophobicContact CG-CD2 4.08Å; F101-V142 HydrophobicContact CD1-CB 4.24Å; F101-V142 HydrophobicContact CD1-CG1 3.76Å; F101-V142 HydrophobicContact CD1-CG2 4.15Å; F101-V142 HydrophobicContact CE1-CG1 3.71Å; F101-V142 HydrophobicContact CZ-CG1 4.43Å |
| 102 | S | 98.4 | Very high | 96 | Very high | 34 Ų | 34 | 60.8 Ų | 60.8 | 24% | 0.238 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 179.2 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | A98 N99 R104 C105 S106 S145 | A98-S102 VanDerWaalsContact O-CB 3.27Å; A98-S102 WeakPolarHBondContact O-CB 3.42Å; A98-S102 PolarHBondContact O-N 3.34Å; N99-S102 PolarHBondContact O-N 3.21Å; S102-R104 VanDerWaalsContact C-N 3.33Å; S102-R104 PolarHBondContact O-N 3.43Å; S102-C105 WeakPolarHBondContact O-CB 3.48Å; S102-C105 PolarHBondContact O-N 3.16Å; S102-S106 PolarHBondContact O-N 3.39Å; S102-S145 VanDerWaalsContact CB-OG 3.31Å; S102-S145 WeakPolarHBondContact CB-OG 3.32Å; S102-S145 PolarHBondContact OG-OG 3.39Å |
| 103 | R | 97.9 | Very high | 95.6 | Very high | 173 Ų | 173 | 55.2 Ų | 55.2 | 65% | 0.653 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.9 | -37.7 | 173.4 | 176.9 | -179.9 | -84.1 | 176.8 | -5.6 | 112 | N99 F101 C105 S106 Y107 | N99-R103 WeakPolarHBondContact O-CB 3.39Å; N99-R103 PolarHBondContact O-N 3.13Å; F101-R103 VanDerWaalsContact C-N 3.35Å; F101-R103 PolarHBondContact O-N 3.35Å; R103-C105 VanDerWaalsContact C-N 3.33Å; R103-S106 PolarHBondContact O-N 2.89Å; R103-S106 PolarHBondContact O-OG 3.29Å; R103-Y107 HydrophobicContact CG-CD2 4.48Å; R103-Y107 HydrophobicContact CG-CE2 3.63Å; R103-Y107 WeakPolarHBondContact O-CD2 3.34Å; R103-Y107 WeakPolarHBondContact O-CE2 3.26Å |
| 104 | R | 97.1 | Very high | 95.3 | Very high | 92 Ų | 92 | 60.8 Ų | 60.8 | 35% | 0.347 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 174.1 | -176.6 | -176.8 | -176.6 | 163.4 | 9.9 | 111.4 | E64 S100 F101 S102 S106 Y107 I108 | E64-R104 IonicContact OE1-CZ 3.87Å; E64-R104 VanDerWaalsContact OE1-CZ 3.24Å; E64-R104 IonicContact OE1-NH1 2.76Å; E64-R104 PolarHBondContact OE1-NH1 3.44Å; E64-R104 IonicContact OE1-NH2 2.8Å; E64-R104 PolarHBondContact OE1-NH2 3.33Å; S100-R104 WeakPolarHBondContact O-CB 3.46Å; S100-R104 PolarHBondContact O-N 2.95Å; F101-R104 WeakPolarHBondContact O-CA 3.39Å; F101-R104 WeakPolarHBondContact O-CB 3.47Å; F101-R104 PolarHBondContact O-N 3.3Å; S102-R104 VanDerWaalsContact C-N 3.33Å; S102-R104 PolarHBondContact O-N 3.43Å; R104-S106 VanDerWaalsContact C-N 3.28Å; R104-S106 PolarHBondContact O-N 2.9Å; R104-Y107 PolarHBondContact O-N 3.36Å; R104-Y107 VanDerWaalsContact O-N 3.16Å; R104-I108 HydrophobicContact CG-CD1 3.74Å; R104-I108 HydrophobicContact CG-CG1 4.37Å; R104-I108 WeakPolarHBondContact O-CG1 3.25Å; R104-I108 PolarHBondContact O-N 3.03Å; R104-I108 VanDerWaalsContact O-N 3.09Å |
| 105 | C | 97.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.02 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.1 | -35.8 | 177.8 | -68.6 | 0 | 0 | 0 | 0 | 112.6 | F101 S102 R103 Y107 I108 A109 L149 | F101-C105 WeakPolarHBondContact CE1-SG 3.42Å; F101-C105 VanDerWaalsContact CZ-SG 3.52Å; F101-C105 PolarHBondContact O-N 2.86Å; F101-C105 PolarHBondContact O-SG 3.07Å; S102-C105 WeakPolarHBondContact O-CB 3.48Å; S102-C105 PolarHBondContact O-N 3.16Å; R103-C105 VanDerWaalsContact C-N 3.33Å; C105-Y107 VanDerWaalsContact C-N 3.29Å; C105-Y107 PolarHBondContact O-N 3.22Å; C105-I108 PolarHBondContact O-N 3.37Å; C105-A109 PolarHBondContact O-N 2.87Å; C105-L149 HydrophobicContact CB-CD1 4.07Å; C105-L149 HydrophobicContact CB-CD2 4.47Å; C105-L149 HydrophobicContact CB-CG 4.29Å |
| 106 | S | 94.5 | Very high | 94.9 | Very high | 70 Ų | 70 | 61.9 Ų | 61.9 | 49% | 0.49 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.4 | -33.4 | 176.8 | 57.1 | 0 | 0 | 0 | 0 | 113.3 | S102 R103 R104 | S102-S106 PolarHBondContact O-N 3.39Å; R103-S106 PolarHBondContact O-N 2.89Å; R103-S106 PolarHBondContact O-OG 3.29Å; R104-S106 VanDerWaalsContact C-N 3.28Å; R104-S106 PolarHBondContact O-N 2.9Å |
| 107 | Y | 93.9 | Very high | 94.7 | Very high | 162 Ų | 162 | 60.2 Ų | 60.2 | 64% | 0.635 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -76.7 | -33.7 | 174.1 | -56.5 | -62.6 | 0 | 0 | 0 | 112.2 | R103 R104 C105 A109 | R103-Y107 HydrophobicContact CG-CD2 4.48Å; R103-Y107 HydrophobicContact CG-CE2 3.63Å; R103-Y107 WeakPolarHBondContact O-CD2 3.34Å; R103-Y107 WeakPolarHBondContact O-CE2 3.26Å; R104-Y107 PolarHBondContact O-N 3.36Å; R104-Y107 VanDerWaalsContact O-N 3.16Å; C105-Y107 VanDerWaalsContact C-N 3.29Å; C105-Y107 PolarHBondContact O-N 3.22Å; Y107-A109 VanDerWaalsContact C-N 3.27Å; Y107-A109 PolarHBondContact O-N 3.49Å |
| 108 | I | 94 | Very high | 94.5 | Very high | 17 Ų | 17 | 66 Ų | 66 | 9% | 0.087 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -73.2 | -19.5 | 178.7 | -69.5 | 176.8 | 0 | 0 | 0 | 112.2 | R104 C105 E110 S111 V115 K116 A119 L149 | R104-I108 HydrophobicContact CG-CD1 3.74Å; R104-I108 HydrophobicContact CG-CG1 4.37Å; R104-I108 WeakPolarHBondContact O-CG1 3.25Å; R104-I108 PolarHBondContact O-N 3.03Å; R104-I108 VanDerWaalsContact O-N 3.09Å; C105-I108 PolarHBondContact O-N 3.37Å; I108-E110 PolarHBondContact O-N 2.92Å; I108-E110 VanDerWaalsContact O-N 3.09Å; I108-S111 VanDerWaalsContact O-CB 3.26Å; I108-S111 WeakPolarHBondContact O-CB 3.34Å; I108-S111 PolarHBondContact O-N 3.13Å; I108-S111 PolarHBondContact O-OG 3.05Å; I108-V115 HydrophobicContact CD1-CG1 4.39Å; I108-V115 HydrophobicContact CG1-CG1 4.25Å; I108-V115 HydrophobicContact CG2-CG1 3.97Å; I108-K116 HydrophobicContact CG2-CB 4.41Å; I108-K116 HydrophobicContact CG2-CG 3.7Å; I108-K116 VanDerWaalsContact O-CE 3.27Å; I108-K116 WeakPolarHBondContact O-CE 3.42Å; I108-A119 HydrophobicContact CD1-CB 3.77Å; I108-A119 HydrophobicContact CG2-CB 4.17Å; I108-L149 HydrophobicContact CG2-CD1 4.38Å |
| 109 | A | 91.4 | Very high | 94.4 | Very high | 28 Ų | 28 | 66.4 Ų | 66.4 | 23% | 0.231 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -31.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C105 Y107 K116 L149 L152 | C105-A109 PolarHBondContact O-N 2.87Å; Y107-A109 VanDerWaalsContact C-N 3.27Å; Y107-A109 PolarHBondContact O-N 3.49Å; A109-K116 WeakPolarHBondContact O-CE 3.28Å; A109-K116 PolarHBondContact O-NZ 3.18Å; A109-L149 HydrophobicContact CB-CD2 4.32Å; A109-L152 HydrophobicContact CB-CD1 3.72Å |
| 110 | E | 90.4 | Very high | 94.3 | Very high | 188 Ų | 188 | 62.8 Ų | 62.8 | 88% | 0.879 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -4.7 | 178.1 | -61.9 | -177.8 | 177.1 | 0 | 0 | 113.6 | I108 | I108-E110 PolarHBondContact O-N 2.92Å; I108-E110 VanDerWaalsContact O-N 3.09Å |
| 111 | S | 91.4 | Very high | 94.2 | Very high | 45 Ų | 45 | 64.8 Ų | 64.8 | 32% | 0.315 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -78.4 | 172.3 | 178.8 | -56 | 0 | 0 | 0 | 0 | 112.5 | I108 K116 | I108-S111 VanDerWaalsContact O-CB 3.26Å; I108-S111 WeakPolarHBondContact O-CB 3.34Å; I108-S111 PolarHBondContact O-N 3.13Å; I108-S111 PolarHBondContact O-OG 3.05Å; S111-K116 WeakPolarHBondContact O-CE 3.49Å; S111-K116 PolarHBondContact O-NZ 3.35Å |
| 112 | D | 89.6 | Confident | 94.2 | Very high | 96 Ų | 96 | 66.5 Ų | 66.5 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | trans | -67.6 | 165.3 | 175.8 | 68.5 | 78.8 | 0 | 0 | 0 | 113.1 | H114 V115 K116 | D112-H114 VanDerWaalsContact C-N 3.28Å; D112-H114 PolarHBondContact O-N 3.01Å; D112-H114 WeakPolarHBondContact OD1-CA 3.34Å; D112-H114 VanDerWaalsContact OD1-CB 3.26Å; D112-H114 WeakPolarHBondContact OD1-CB 3.38Å; D112-H114 PolarHBondContact OD1-N 3.42Å; D112-V115 PolarHBondContact O-N 3.45Å; D112-V115 PolarHBondContact OD1-N 3.11Å; D112-V115 VanDerWaalsContact OD1-N 3.12Å; D112-V115 VanDerWaalsContact OD2-CG2 3.28Å; D112-V115 WeakPolarHBondContact OD2-CG2 3.27Å; D112-K116 PolarHBondContact O-N 3.11Å | ||
| 113 | A | 87.4 | Confident | 94.2 | Very high | 34 Ų | 34 | 64.9 Ų | 64.9 | 28% | 0.281 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.7 | -32.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K116 E117 | A113-K116 PolarHBondContact O-N 2.87Å; A113-E117 PolarHBondContact O-N 3.24Å |
| 114 | H | 90.6 | Very high | 94.2 | Very high | 117 Ų | 117 | 57.5 Ų | 57.5 | 54% | 0.542 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.9 | -39.4 | -179.7 | -178.5 | 63.9 | 0 | 0 | 0 | 111.7 | D112 K116 E117 K118 | D112-H114 VanDerWaalsContact C-N 3.28Å; D112-H114 PolarHBondContact O-N 3.01Å; D112-H114 WeakPolarHBondContact OD1-CA 3.34Å; D112-H114 VanDerWaalsContact OD1-CB 3.26Å; D112-H114 WeakPolarHBondContact OD1-CB 3.38Å; D112-H114 PolarHBondContact OD1-N 3.42Å; H114-K116 VanDerWaalsContact C-N 3.32Å; H114-E117 PolarHBondContact O-N 3.34Å; H114-K118 VanDerWaalsContact NE2-CE 3.33Å; H114-K118 WeakPolarHBondContact NE2-CE 3.49Å; H114-K118 PolarHBondContact NE2-NZ 3.42Å; H114-K118 WeakPolarHBondContact O-CG 3.39Å; H114-K118 PolarHBondContact O-N 3.45Å; H114-K118 VanDerWaalsContact O-N 3.09Å |
| 115 | V | 93.5 | Very high | 94.2 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 30% | 0.303 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 174.5 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | I108 D112 K118 A119 | I108-V115 HydrophobicContact CD1-CG1 4.39Å; I108-V115 HydrophobicContact CG1-CG1 4.25Å; I108-V115 HydrophobicContact CG2-CG1 3.97Å; D112-V115 PolarHBondContact O-N 3.45Å; D112-V115 PolarHBondContact OD1-N 3.11Å; D112-V115 VanDerWaalsContact OD1-N 3.12Å; D112-V115 VanDerWaalsContact OD2-CG2 3.28Å; D112-V115 WeakPolarHBondContact OD2-CG2 3.27Å; V115-K118 PolarHBondContact O-N 2.91Å; V115-A119 PolarHBondContact O-N 2.92Å; V115-A119 VanDerWaalsContact O-N 3.07Å |
| 116 | K | 93.3 | Very high | 94.3 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 6% | 0.057 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 176 | -72.4 | 164.7 | 175.8 | 157.4 | 0 | 112.5 | I108 A109 S111 D112 A113 H114 K118 A119 I120 L149 H153 | I108-K116 HydrophobicContact CG2-CB 4.41Å; I108-K116 HydrophobicContact CG2-CG 3.7Å; I108-K116 VanDerWaalsContact O-CE 3.27Å; I108-K116 WeakPolarHBondContact O-CE 3.42Å; A109-K116 WeakPolarHBondContact O-CE 3.28Å; A109-K116 PolarHBondContact O-NZ 3.18Å; S111-K116 WeakPolarHBondContact O-CE 3.49Å; S111-K116 PolarHBondContact O-NZ 3.35Å; D112-K116 PolarHBondContact O-N 3.11Å; A113-K116 PolarHBondContact O-N 2.87Å; H114-K116 VanDerWaalsContact C-N 3.32Å; K116-K118 VanDerWaalsContact C-N 3.33Å; K116-K118 PolarHBondContact O-N 2.99Å; K116-A119 WeakPolarHBondContact O-CA 3.46Å; K116-A119 WeakPolarHBondContact O-CB 3.47Å; K116-A119 PolarHBondContact O-N 3.26Å; K116-A119 VanDerWaalsContact O-N 3.08Å; K116-I120 WeakPolarHBondContact O-CG1 3.36Å; K116-I120 PolarHBondContact O-N 3.3Å; K116-L149 HydrophobicContact CG-CD2 4.42Å; K116-H153 WeakPolarHBondContact CD-NE2 3.46Å; K116-H153 WeakPolarHBondContact CE-NE2 3.37Å; K116-H153 PolarHBondContact NZ-NE2 3.05Å |
| 117 | E | 94.3 | Very high | 94.4 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 8% | 0.075 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 177.4 | 174.4 | 59.3 | -169.7 | 0 | 0 | 111.4 | A113 H114 A119 I120 Q121 R161 | A113-E117 PolarHBondContact O-N 3.24Å; H114-E117 PolarHBondContact O-N 3.34Å; E117-A119 VanDerWaalsContact C-N 3.3Å; E117-A119 PolarHBondContact O-N 2.9Å; E117-I120 PolarHBondContact O-N 3.23Å; E117-Q121 WeakPolarHBondContact O-CG 3.49Å; E117-Q121 PolarHBondContact O-N 2.9Å; E117-Q121 PolarHBondContact OE1-NE2 3.26Å; E117-R161 IonicContact OE1-CZ 2.68Å; E117-R161 VanDerWaalsContact OE1-CZ 3.29Å; E117-R161 IonicContact OE1-NE 2.51Å; E117-R161 PolarHBondContact OE1-NE 3.25Å; E117-R161 IonicContact OE1-NH2 3.97Å; E117-R161 PolarHBondContact OE1-NH2 3.03Å; E117-R161 IonicContact OE2-NE 2.91Å; E117-R161 PolarHBondContact OE2-NE 3.48Å |
| 118 | K | 94.9 | Very high | 94.6 | Very high | 122 Ų | 122 | 45.9 Ų | 45.9 | 53% | 0.53 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.2 | -40.3 | 173.8 | -75.9 | -179.2 | 175.1 | 178.5 | 0 | 112.4 | H114 V115 K116 F122 | H114-K118 VanDerWaalsContact NE2-CE 3.33Å; H114-K118 WeakPolarHBondContact NE2-CE 3.49Å; H114-K118 PolarHBondContact NE2-NZ 3.42Å; H114-K118 WeakPolarHBondContact O-CG 3.39Å; H114-K118 PolarHBondContact O-N 3.45Å; H114-K118 VanDerWaalsContact O-N 3.09Å; V115-K118 PolarHBondContact O-N 2.91Å; K116-K118 VanDerWaalsContact C-N 3.33Å; K116-K118 PolarHBondContact O-N 2.99Å; K118-F122 WeakPolarHBondContact O-CB 3.06Å; K118-F122 PolarHBondContact O-N 3.39Å |
| 119 | A | 96.5 | Very high | 94.8 | Very high | 8 Ų | 8 | 45.1 Ų | 45.1 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.1 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F101 I108 V115 K116 E117 F122 G123 L149 | F101-A119 WeakPolarHBondContact CE2-O 3.27Å; F101-A119 WeakPolarHBondContact CZ-O 3.45Å; I108-A119 HydrophobicContact CD1-CB 3.77Å; I108-A119 HydrophobicContact CG2-CB 4.17Å; V115-A119 PolarHBondContact O-N 2.92Å; V115-A119 VanDerWaalsContact O-N 3.07Å; K116-A119 WeakPolarHBondContact O-CA 3.46Å; K116-A119 WeakPolarHBondContact O-CB 3.47Å; K116-A119 PolarHBondContact O-N 3.26Å; K116-A119 VanDerWaalsContact O-N 3.08Å; E117-A119 VanDerWaalsContact C-N 3.3Å; E117-A119 PolarHBondContact O-N 2.9Å; A119-F122 PolarHBondContact O-N 3.42Å; A119-G123 PolarHBondContact O-N 3.21Å; A119-L149 HydrophobicContact CB-CD1 3.99Å |
| 120 | I | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -48.9 | 176 | -68.4 | 160.9 | 0 | 0 | 0 | 110.4 | K116 E117 F122 G123 F124 C146 L149 R161 | K116-I120 WeakPolarHBondContact O-CG1 3.36Å; K116-I120 PolarHBondContact O-N 3.3Å; E117-I120 PolarHBondContact O-N 3.23Å; I120-F122 VanDerWaalsContact C-N 3.35Å; I120-F122 PolarHBondContact O-N 3.47Å; I120-G123 CarbonylContact O-C 3.59Å; I120-G123 PolarHBondContact O-N 3.48Å; I120-G123 VanDerWaalsContact O-N 3.13Å; I120-F124 HydrophobicContact CG2-CD1 4.46Å; I120-F124 HydrophobicContact CG2-CD2 4.45Å; I120-F124 HydrophobicContact CG2-CE1 3.94Å; I120-F124 HydrophobicContact CG2-CE2 3.92Å; I120-F124 HydrophobicContact CG2-CZ 3.64Å; I120-F124 PolarHBondContact O-N 3.46Å; I120-C146 HydrophobicContact CG2-CB 4.47Å; I120-L149 HydrophobicContact CD1-CB 4.06Å; I120-L149 HydrophobicContact CG1-CB 4.03Å; I120-L149 HydrophobicContact CG1-CD1 4.27Å; I120-R161 HydrophobicContact CG2-CB 4.35Å; I120-R161 HydrophobicContact CG2-CG 4.37Å |
| 121 | Q | 96.6 | Very high | 95.5 | Very high | 93 Ų | 93 | 35.1 Ų | 35.1 | 44% | 0.435 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 177.3 | -71.6 | 177.2 | 5.9 | 0 | 0 | 112 | E117 G123 F124 V125 | E117-Q121 WeakPolarHBondContact O-CG 3.49Å; E117-Q121 PolarHBondContact O-N 2.9Å; E117-Q121 PolarHBondContact OE1-NE2 3.26Å; Q121-G123 VanDerWaalsContact C-N 3.34Å; Q121-G123 PolarHBondContact O-N 3.14Å; Q121-F124 PolarHBondContact O-N 2.66Å; Q121-V125 PolarHBondContact O-N 2.66Å |
| 122 | F | 97.4 | Very high | 95.7 | Very high | 36 Ų | 36 | 35 Ų | 35 | 16% | 0.158 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 175.2 | 173.7 | -127.9 | 0 | 0 | 0 | 111.8 | L63 A67 L70 F101 K118 A119 I120 F124 V125 L126 | L63-F122 HydrophobicContact CD1-CE1 3.74Å; L63-F122 HydrophobicContact CD1-CZ 3.73Å; L63-F122 HydrophobicContact CD2-CE1 4.12Å; L63-F122 HydrophobicContact CG-CE1 3.84Å; L63-F122 HydrophobicContact CG-CZ 4.06Å; A67-F122 HydrophobicContact CB-CD2 4.11Å; A67-F122 HydrophobicContact CB-CE2 3.33Å; A67-F122 HydrophobicContact CB-CZ 3.58Å; L70-F122 HydrophobicContact CD1-CE2 4.4Å; F101-F122 AromaticContact CD2-CD1 3.72Å; F101-F122 HydrophobicContact CD2-CD1 3.72Å; F101-F122 AromaticContact CD2-CE1 3.72Å; F101-F122 HydrophobicContact CD2-CE1 3.72Å; F101-F122 AromaticContact CE2-CD1 3.62Å; F101-F122 HydrophobicContact CE2-CD1 3.62Å; F101-F122 HydrophobicContact CE2-CE1 4.12Å; F101-F122 HydrophobicContact CE2-CG 4.47Å; K118-F122 WeakPolarHBondContact O-CB 3.06Å; K118-F122 PolarHBondContact O-N 3.39Å; A119-F122 PolarHBondContact O-N 3.42Å; I120-F122 VanDerWaalsContact C-N 3.35Å; I120-F122 PolarHBondContact O-N 3.47Å; F122-F124 VanDerWaalsContact C-N 3.28Å; F122-F124 PolarHBondContact O-N 3.21Å; F122-V125 PolarHBondContact O-N 2.76Å; F122-V125 VanDerWaalsContact O-N 3.12Å; F122-L126 HydrophobicContact CE1-CD2 4.39Å; F122-L126 HydrophobicContact CE2-CB 4.21Å; F122-L126 HydrophobicContact CZ-CB 4.3Å; F122-L126 HydrophobicContact CZ-CD2 4.17Å; F122-L126 PolarHBondContact O-N 2.89Å |
| 123 | G | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61 | -34 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A119 I120 Q121 G127 V142 | A119-G123 PolarHBondContact O-N 3.21Å; I120-G123 CarbonylContact O-C 3.59Å; I120-G123 PolarHBondContact O-N 3.48Å; I120-G123 VanDerWaalsContact O-N 3.13Å; Q121-G123 VanDerWaalsContact C-N 3.34Å; Q121-G123 PolarHBondContact O-N 3.14Å; G123-G127 WeakPolarHBondContact O-CA 3.33Å; G123-G127 PolarHBondContact O-N 2.6Å; G123-V142 WeakPolarHBondContact O-CG1 3.44Å |
| 124 | F | 97.9 | Very high | 96.4 | Very high | 18 Ų | 18 | 29.3 Ų | 29.3 | 8% | 0.079 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.3 | -39 | 172.9 | -70.9 | -6.3 | 0 | 0 | 0 | 112.9 | I120 Q121 F122 G128 F143 C146 E164 C165 | I120-F124 HydrophobicContact CG2-CD1 4.46Å; I120-F124 HydrophobicContact CG2-CD2 4.45Å; I120-F124 HydrophobicContact CG2-CE1 3.94Å; I120-F124 HydrophobicContact CG2-CE2 3.92Å; I120-F124 HydrophobicContact CG2-CZ 3.64Å; I120-F124 PolarHBondContact O-N 3.46Å; Q121-F124 PolarHBondContact O-N 2.66Å; F122-F124 VanDerWaalsContact C-N 3.28Å; F122-F124 PolarHBondContact O-N 3.21Å; F124-G128 WeakPolarHBondContact O-CA 3.47Å; F124-G128 PolarHBondContact O-N 3.21Å; F124-F143 HydrophobicContact CD1-CD1 4.38Å; F124-F143 HydrophobicContact CD1-CE1 4.5Å; F124-C146 HydrophobicContact CE1-CB 4.13Å; F124-E164 HydrophobicContact CD2-CG 4.34Å; F124-E164 HydrophobicContact CE2-CB 4.14Å; F124-E164 VanDerWaalsContact CE2-CD 3.4Å; F124-E164 HydrophobicContact CE2-CG 3.69Å; F124-E164 WeakPolarHBondContact CE2-OE2 3.4Å; F124-E164 HydrophobicContact CZ-CB 4.19Å; F124-E164 HydrophobicContact CZ-CG 4.07Å; F124-C165 HydrophobicContact CE1-CB 4.41Å; F124-C165 WeakPolarHBondContact CE1-SG 3.21Å; F124-C165 WeakPolarHBondContact CZ-SG 3.41Å |
| 125 | V | 97.5 | Very high | 96.7 | Very high | 68 Ų | 68 | 25.8 Ų | 25.8 | 41% | 0.412 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -70.1 | -48.1 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | L70 Q121 F122 G128 F129 | L70-V125 HydrophobicContact CB-CG1 4.11Å; L70-V125 HydrophobicContact CD1-CG1 4.22Å; Q121-V125 PolarHBondContact O-N 2.66Å; F122-V125 PolarHBondContact O-N 2.76Å; F122-V125 VanDerWaalsContact O-N 3.12Å; V125-G128 PolarHBondContact O-N 2.73Å; V125-F129 WeakPolarHBondContact O-CB 3.2Å; V125-F129 PolarHBondContact O-N 2.97Å |
| 126 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.4 | -53.4 | -179.9 | 175.9 | 61.9 | 0 | 0 | 0 | 111.8 | L63 F66 L70 L97 F101 F122 G128 F129 L130 V142 | L63-L126 HydrophobicContact CD1-CD2 3.82Å; F66-L126 HydrophobicContact CD1-CD1 4.01Å; F66-L126 HydrophobicContact CE1-CD1 4.13Å; L70-L126 HydrophobicContact CD1-CB 4.41Å; L70-L126 HydrophobicContact CD1-CD1 4.16Å; L97-L126 HydrophobicContact CB-CD1 4.35Å; L97-L126 HydrophobicContact CD1-CD1 4.2Å; F101-L126 HydrophobicContact CB-CD2 3.87Å; F101-L126 HydrophobicContact CD2-CD2 4.26Å; F101-L126 HydrophobicContact CG-CD2 4.08Å; F122-L126 HydrophobicContact CE1-CD2 4.39Å; F122-L126 HydrophobicContact CE2-CB 4.21Å; F122-L126 HydrophobicContact CZ-CB 4.3Å; F122-L126 HydrophobicContact CZ-CD2 4.17Å; F122-L126 PolarHBondContact O-N 2.89Å; L126-G128 VanDerWaalsContact C-N 3.29Å; L126-G128 PolarHBondContact O-N 2.68Å; L126-F129 PolarHBondContact O-N 3.26Å; L126-L130 HydrophobicContact CD1-CD1 4.39Å; L126-L130 HydrophobicContact CD1-CG 4.43Å; L126-L130 HydrophobicContact CG-CD1 4.39Å; L126-L130 WeakPolarHBondContact O-CG 3.2Å; L126-L130 PolarHBondContact O-N 2.8Å; L126-V142 HydrophobicContact CD2-CG2 4.14Å; L126-V142 HydrophobicContact CG-CG2 4.35Å |
| 127 | G | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.5 | -37.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G123 L130 S131 A139 F143 | G123-G127 WeakPolarHBondContact O-CA 3.33Å; G123-G127 PolarHBondContact O-N 2.6Å; G127-L130 PolarHBondContact O-N 3.45Å; G127-S131 VanDerWaalsContact O-CB 3.27Å; G127-S131 WeakPolarHBondContact O-CB 3.43Å; G127-S131 PolarHBondContact O-N 3.37Å; G127-A139 WeakPolarHBondContact O-CB 3.23Å; G127-F143 WeakPolarHBondContact O-CZ 3.27Å |
| 128 | G | 97.6 | Very high | 97.2 | Very high | 15 Ų | 15 | 26.1 Ų | 26.1 | 16% | 0.155 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | F124 V125 L126 S131 D132 | F124-G128 WeakPolarHBondContact O-CA 3.47Å; F124-G128 PolarHBondContact O-N 3.21Å; V125-G128 PolarHBondContact O-N 2.73Å; L126-G128 VanDerWaalsContact C-N 3.29Å; L126-G128 PolarHBondContact O-N 2.68Å; G128-S131 PolarHBondContact O-N 3.2Å; G128-D132 WeakPolarHBondContact O-CB 3.36Å; G128-D132 PolarHBondContact O-N 3.5Å |
| 129 | F | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.5 | -47.2 | 173.4 | 173.4 | -92.7 | 0 | 0 | 0 | 112.2 | F66 L70 L79 H80 F83 V125 L126 S131 D132 A133 | F66-F129 AromaticContact CE1-CD1 3.85Å; F66-F129 HydrophobicContact CE1-CD1 3.85Å; F66-F129 AromaticContact CE1-CE1 3.97Å; F66-F129 HydrophobicContact CE1-CE1 3.97Å; F66-F129 AromaticContact CZ-CD1 3.91Å; F66-F129 HydrophobicContact CZ-CD1 3.91Å; F66-F129 AromaticContact CZ-CE1 3.53Å; F66-F129 HydrophobicContact CZ-CE1 3.53Å; F66-F129 HydrophobicContact CZ-CZ 4.08Å; L70-F129 HydrophobicContact CD2-CB 3.6Å; L70-F129 HydrophobicContact CD2-CD1 4.13Å; L70-F129 HydrophobicContact CD2-CD2 3.7Å; L70-F129 HydrophobicContact CD2-CE2 4.46Å; L70-F129 HydrophobicContact CD2-CG 3.5Å; L79-F129 HydrophobicContact CB-CE2 4.33Å; L79-F129 HydrophobicContact CD1-CZ 4.47Å; L79-F129 HydrophobicContact CD2-CD2 4.07Å; L79-F129 HydrophobicContact CD2-CE2 3.57Å; L79-F129 HydrophobicContact CD2-CZ 4.04Å; L79-F129 HydrophobicContact CG-CE2 3.58Å; L79-F129 HydrophobicContact CG-CZ 3.75Å; H80-F129 AromaticContact CE1-CD2 3.68Å; H80-F129 AromaticContact CE1-CE2 3.44Å; H80-F129 VanDerWaalsContact CE1-CE2 3.44Å; H80-F129 WeakPolarHBondContact CE1-CE2 3.41Å; H80-F129 AromaticContact ND1-CE2 3.53Å; H80-F129 AromaticContact ND1-CZ 3.86Å; H80-F129 AromaticContact NE2-CE2 3.91Å; F83-F129 HydrophobicContact CB-CE1 4.45Å; F83-F129 HydrophobicContact CB-CZ 3.99Å; F83-F129 HydrophobicContact CD1-CE1 4.23Å; F83-F129 HydrophobicContact CD1-CZ 4.36Å; F83-F129 AromaticContact CD2-CE1 3.74Å; F83-F129 HydrophobicContact CD2-CE1 3.74Å; F83-F129 HydrophobicContact CD2-CZ 4.12Å; F83-F129 HydrophobicContact CE1-CE1 4.4Å; F83-F129 AromaticContact CE2-CE1 3.93Å; F83-F129 HydrophobicContact CE2-CE1 3.93Å; F83-F129 AromaticContact CG-CE1 3.88Å; F83-F129 HydrophobicContact CG-CE1 3.88Å; F83-F129 AromaticContact CG-CZ 3.91Å; F83-F129 HydrophobicContact CG-CZ 3.91Å; F83-F129 HydrophobicContact CZ-CE1 4.26Å; V125-F129 WeakPolarHBondContact O-CB 3.2Å; V125-F129 PolarHBondContact O-N 2.97Å; L126-F129 PolarHBondContact O-N 3.26Å; F129-S131 VanDerWaalsContact C-N 3.28Å; F129-S131 PolarHBondContact O-N 2.94Å; F129-D132 PolarHBondContact O-N 3.25Å; F129-A133 HydrophobicContact CE1-CB 4.41Å; F129-A133 VanDerWaalsContact O-CB 3.26Å; F129-A133 WeakPolarHBondContact O-CB 3.06Å; F129-A133 PolarHBondContact O-N 3.46Å |
| 130 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.2 | -38 | 178.5 | -67 | 177.3 | 0 | 0 | 0 | 111.8 | F83 A94 A98 L126 G127 A133 G134 W135 D138 A139 V142 | F83-L130 HydrophobicContact CE2-CD2 4.28Å; F83-L130 HydrophobicContact CZ-CD2 3.8Å; A94-L130 HydrophobicContact CB-CD2 3.97Å; A98-L130 HydrophobicContact CB-CD1 4.49Å; L126-L130 HydrophobicContact CD1-CD1 4.39Å; L126-L130 HydrophobicContact CD1-CG 4.43Å; L126-L130 HydrophobicContact CG-CD1 4.39Å; L126-L130 WeakPolarHBondContact O-CG 3.2Å; L126-L130 PolarHBondContact O-N 2.8Å; G127-L130 PolarHBondContact O-N 3.45Å; L130-A133 PolarHBondContact O-N 3Å; L130-G134 PolarHBondContact O-N 2.91Å; L130-W135 PolarHBondContact O-N 3.46Å; L130-D138 HydrophobicContact CD1-CB 4.04Å; L130-A139 HydrophobicContact CB-CB 3.87Å; L130-V142 HydrophobicContact CD1-CG2 4.21Å |
| 131 | S | 97.8 | Very high | 97.6 | Very high | 6 Ų | 6 | 24.1 Ų | 24.1 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.9 | -52.1 | 173.3 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | G127 G128 F129 A133 G134 Y136 H171 V172 | G127-S131 VanDerWaalsContact O-CB 3.27Å; G127-S131 WeakPolarHBondContact O-CB 3.43Å; G127-S131 PolarHBondContact O-N 3.37Å; G128-S131 PolarHBondContact O-N 3.2Å; F129-S131 VanDerWaalsContact C-N 3.28Å; F129-S131 PolarHBondContact O-N 2.94Å; S131-A133 PolarHBondContact O-N 2.92Å; S131-G134 PolarHBondContact O-N 3.48Å; S131-Y136 WeakPolarHBondContact O-CE1 3.25Å; S131-H171 PolarHBondContact OG-CD2 3.41Å; S131-V172 WeakPolarHBondContact OG-CG1 3.46Å |
| 132 | D | 95.8 | Very high | 97.7 | Very high | 43 Ų | 43 | 19.7 Ų | 19.7 | 23% | 0.23 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.5 | -23.4 | 178.3 | -68.1 | -24.8 | 0 | 0 | 0 | 111.7 | R76 G128 F129 K243 F322 H328 | R76-D132 IonicContact CZ-OD2 3.05Å; R76-D132 IonicContact NE-OD2 2.7Å; R76-D132 IonicContact NH2-OD2 2.88Å; R76-D132 PolarHBondContact NH2-OD2 3.41Å; G128-D132 WeakPolarHBondContact O-CB 3.36Å; G128-D132 PolarHBondContact O-N 3.5Å; F129-D132 PolarHBondContact O-N 3.25Å; D132-K243 IonicContact OD1-NZ 2.94Å; D132-K243 PolarHBondContact OD1-NZ 3.34Å; D132-K243 IonicContact OD2-NZ 3.33Å; D132-F322 WeakPolarHBondContact O-CE1 3.5Å; D132-F322 WeakPolarHBondContact O-CZ 3.36Å; D132-H328 PolarHBondContact O-NE2 2.91Å |
| 133 | A | 95.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 18 Ų | 18 | 2% | 0.017 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F83 F129 L130 S131 W135 N326 | F83-A133 HydrophobicContact CD1-CB 4.34Å; F83-A133 HydrophobicContact CE1-CB 4.25Å; F129-A133 HydrophobicContact CE1-CB 4.41Å; F129-A133 VanDerWaalsContact O-CB 3.26Å; F129-A133 WeakPolarHBondContact O-CB 3.06Å; F129-A133 PolarHBondContact O-N 3.46Å; L130-A133 PolarHBondContact O-N 3Å; S131-A133 PolarHBondContact O-N 2.92Å; A133-W135 PolarHBondContact O-NE1 3.33Å; A133-N326 PolarHBondContact O-ND2 2.89Å |
| 134 | G | 95.7 | Very high | 97.8 | Very high | 8 Ų | 8 | 21.4 Ų | 21.4 | 8% | 0.082 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | 7.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | L130 S131 Y136 I327 H328 | L130-G134 PolarHBondContact O-N 2.91Å; S131-G134 PolarHBondContact O-N 3.48Å; G134-Y136 VanDerWaalsContact C-N 3.34Å; G134-Y136 PolarHBondContact O-N 3.15Å; G134-I327 WeakPolarHBondContact O-CG2 3.47Å; G134-H328 VanDerWaalsContact CA-NE2 3.35Å; G134-H328 WeakPolarHBondContact CA-NE2 3.48Å; G134-H328 PolarHBondContact N-NE2 3.49Å |
| 135 | W | 96.8 | Very high | 97.8 | Very high | 44 Ų | 44 | 20.8 Ų | 20.8 | 17% | 0.167 | 12% | 0.119 | C | C | . | . | trans | -95.5 | 61.7 | -179.7 | -60.7 | 86 | 0 | 0 | 0 | 110.8 | F83 M87 A94 L130 A133 G137 D138 A139 I367 | F83-W135 AromaticContact CE1-CD1 3.51Å; F83-W135 HydrophobicContact CE1-CG 4.33Å; F83-W135 AromaticContact CE1-NE1 3.47Å; M87-W135 HydrophobicContact CB-CH2 4.02Å; M87-W135 HydrophobicContact CB-CZ2 3.52Å; M87-W135 HydrophobicContact CE-CD2 3.83Å; M87-W135 HydrophobicContact CE-CE3 3.7Å; M87-W135 HydrophobicContact CE-CH2 3.35Å; M87-W135 HydrophobicContact CE-CZ2 3.46Å; M87-W135 VanDerWaalsContact CE-CZ2 3.46Å; M87-W135 HydrophobicContact CE-CZ3 3.48Å; M87-W135 VanDerWaalsContact CE-CZ3 3.48Å; M87-W135 HydrophobicContact CG-CH2 4.25Å; M87-W135 HydrophobicContact CG-CZ2 3.52Å; M87-W135 HydrophobicContact SD-CZ2 4.34Å; A94-W135 HydrophobicContact CB-CB 4.06Å; A94-W135 HydrophobicContact CB-CD2 4.18Å; A94-W135 HydrophobicContact CB-CE3 4.37Å; A94-W135 HydrophobicContact CB-CG 4.03Å; L130-W135 PolarHBondContact O-N 3.46Å; A133-W135 PolarHBondContact O-NE1 3.33Å; W135-G137 VanDerWaalsContact C-N 3.33Å; W135-G137 PolarHBondContact O-N 3.36Å; W135-D138 PolarHBondContact O-N 2.92Å; W135-A139 PolarHBondContact O-N 3.49Å; W135-I367 HydrophobicContact CH2-CG2 4.41Å | ||
| 136 | Y | 97.6 | Very high | 97.8 | Very high | 25 Ų | 25 | 17.6 Ų | 17.6 | 10% | 0.098 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.4 | -35.9 | -170.4 | -61.8 | -46.7 | 0 | 0 | 0 | 114.2 | S131 G134 A139 E140 V172 G175 N176 I327 H328 | S131-Y136 WeakPolarHBondContact O-CE1 3.25Å; G134-Y136 VanDerWaalsContact C-N 3.34Å; G134-Y136 PolarHBondContact O-N 3.15Å; Y136-A139 PolarHBondContact O-N 3.47Å; Y136-E140 VanDerWaalsContact O-CB 3.29Å; Y136-E140 WeakPolarHBondContact O-CB 3.42Å; Y136-E140 PolarHBondContact O-N 3.31Å; Y136-V172 HydrophobicContact CD1-CB 4.09Å; Y136-V172 HydrophobicContact CD1-CG1 4.02Å; Y136-V172 HydrophobicContact CG-CB 4.49Å; Y136-G175 WeakPolarHBondContact CE2-O 3.21Å; Y136-N176 HydrophobicContact CD2-CB 3.99Å; Y136-N176 HydrophobicContact CG-CB 4.22Å; Y136-I327 HydrophobicContact CD2-CD1 4Å; Y136-I327 HydrophobicContact CE2-CD1 3.92Å; Y136-I327 HydrophobicContact CE2-CG2 4.21Å; Y136-H328 PolarHBondContact OH-CE1 3.49Å |
| 137 | G | 97.1 | Very high | 97.8 | Very high | 36 Ų | 36 | 18.4 Ų | 18.4 | 37% | 0.371 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | W135 K141 | W135-G137 VanDerWaalsContact C-N 3.33Å; W135-G137 PolarHBondContact O-N 3.36Å; G137-K141 PolarHBondContact O-N 3.1Å |
| 138 | D | 98.5 | Very high | 97.7 | Very high | 24 Ų | 24 | 24 Ų | 24 | 13% | 0.128 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -73.9 | -37.9 | 177.5 | -61.4 | -66.2 | 0 | 0 | 0 | 111.4 | A94 S95 A98 L130 W135 K141 V142 | A94-D138 HydrophobicContact CB-CB 4.06Å; A94-D138 VanDerWaalsContact CB-OD2 3.3Å; A94-D138 WeakPolarHBondContact CB-OD2 3.3Å; S95-D138 WeakPolarHBondContact CA-OD1 3.38Å; S95-D138 WeakPolarHBondContact CB-OD1 3.41Å; S95-D138 PolarHBondContact N-OD1 3.38Å; S95-D138 PolarHBondContact OG-OD1 3.17Å; S95-D138 PolarHBondContact OG-OD2 2.96Å; A98-D138 HydrophobicContact CB-CB 3.89Å; L130-D138 HydrophobicContact CD1-CB 4.04Å; W135-D138 PolarHBondContact O-N 2.92Å; D138-K141 WeakPolarHBondContact O-CB 3.46Å; D138-K141 PolarHBondContact O-N 3.08Å; D138-V142 WeakPolarHBondContact O-CG2 3.32Å; D138-V142 PolarHBondContact O-N 3.37Å; D138-V142 VanDerWaalsContact O-N 3.14Å |
| 139 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G127 L130 W135 Y136 K141 V142 F143 V172 | G127-A139 WeakPolarHBondContact O-CB 3.23Å; L130-A139 HydrophobicContact CB-CB 3.87Å; W135-A139 PolarHBondContact O-N 3.49Å; Y136-A139 PolarHBondContact O-N 3.47Å; A139-K141 VanDerWaalsContact C-N 3.29Å; A139-K141 PolarHBondContact O-N 3.14Å; A139-V142 WeakPolarHBondContact O-CB 2.93Å; A139-V142 PolarHBondContact O-N 2.77Å; A139-V142 VanDerWaalsContact O-N 3.16Å; A139-F143 HydrophobicContact CB-CE2 4.13Å; A139-F143 WeakPolarHBondContact O-CD2 3.29Å; A139-F143 WeakPolarHBondContact O-CG 3.43Å; A139-F143 PolarHBondContact O-N 3.27Å; A139-V172 HydrophobicContact CB-CG1 4Å |
| 140 | E | 98.6 | Very high | 97.5 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 5% | 0.051 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.2 | -44.7 | 175.1 | -178.4 | 178.6 | -166 | 0 | 0 | 110.9 | Y136 V142 F143 L144 L169 V172 R173 K178 | Y136-E140 VanDerWaalsContact O-CB 3.29Å; Y136-E140 WeakPolarHBondContact O-CB 3.42Å; Y136-E140 PolarHBondContact O-N 3.31Å; E140-V142 VanDerWaalsContact C-N 3.33Å; E140-V142 PolarHBondContact O-N 3.37Å; E140-F143 PolarHBondContact O-N 2.97Å; E140-L144 HydrophobicContact CG-CD1 3.99Å; E140-L144 HydrophobicContact CG-CG 4.29Å; E140-L144 WeakPolarHBondContact O-CB 3.21Å; E140-L144 VanDerWaalsContact O-CG 3.32Å; E140-L144 WeakPolarHBondContact O-CG 3.32Å; E140-L144 PolarHBondContact O-N 2.68Å; E140-L169 HydrophobicContact CG-CD2 3.9Å; E140-V172 HydrophobicContact CB-CG2 3.91Å; E140-V172 HydrophobicContact CG-CG2 4.46Å; E140-R173 IonicContact OE1-CZ 3.43Å; E140-R173 IonicContact OE1-NE 2.91Å; E140-R173 PolarHBondContact OE1-NE 3.46Å; E140-R173 IonicContact OE1-NH2 3.06Å; E140-R173 PolarHBondContact OE1-NH2 2.92Å; E140-K178 IonicContact OE2-NZ 2.9Å; E140-K178 PolarHBondContact OE2-NZ 3.38Å |
| 141 | K | 98.7 | Very high | 97.2 | Very high | 77 Ų | 77 | 27 Ų | 27 | 34% | 0.335 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.3 | -41.5 | 177.5 | -177.8 | 169.2 | -171.8 | 155.7 | 0 | 112.8 | A98 N99 G137 D138 A139 S145 | A98-K141 HydrophobicContact CB-CB 4.46Å; A98-K141 HydrophobicContact CB-CD 4.38Å; N99-K141 VanDerWaalsContact OD1-CE 3.31Å; N99-K141 WeakPolarHBondContact OD1-CE 2.97Å; N99-K141 PolarHBondContact OD1-NZ 2.97Å; G137-K141 PolarHBondContact O-N 3.1Å; D138-K141 WeakPolarHBondContact O-CB 3.46Å; D138-K141 PolarHBondContact O-N 3.08Å; A139-K141 VanDerWaalsContact C-N 3.29Å; A139-K141 PolarHBondContact O-N 3.14Å; K141-S145 PolarHBondContact O-N 3.09Å; K141-S145 VanDerWaalsContact O-N 3.14Å; K141-S145 PolarHBondContact O-OG 2.91Å |
| 142 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.8 | -49.8 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | A98 F101 G123 L126 L130 D138 A139 E140 L144 S145 C146 | A98-V142 HydrophobicContact CB-CG2 3.86Å; F101-V142 HydrophobicContact CD1-CB 4.24Å; F101-V142 HydrophobicContact CD1-CG1 3.76Å; F101-V142 HydrophobicContact CD1-CG2 4.15Å; F101-V142 HydrophobicContact CE1-CG1 3.71Å; F101-V142 HydrophobicContact CZ-CG1 4.43Å; G123-V142 WeakPolarHBondContact O-CG1 3.44Å; L126-V142 HydrophobicContact CD2-CG2 4.14Å; L126-V142 HydrophobicContact CG-CG2 4.35Å; L130-V142 HydrophobicContact CD1-CG2 4.21Å; D138-V142 WeakPolarHBondContact O-CG2 3.32Å; D138-V142 PolarHBondContact O-N 3.37Å; D138-V142 VanDerWaalsContact O-N 3.14Å; A139-V142 WeakPolarHBondContact O-CB 2.93Å; A139-V142 PolarHBondContact O-N 2.77Å; A139-V142 VanDerWaalsContact O-N 3.16Å; E140-V142 VanDerWaalsContact C-N 3.33Å; E140-V142 PolarHBondContact O-N 3.37Å; V142-L144 PolarHBondContact O-N 2.86Å; V142-S145 WeakPolarHBondContact O-CB 3.27Å; V142-S145 PolarHBondContact O-N 3.18Å; V142-S145 VanDerWaalsContact O-N 3.12Å; V142-C146 PolarHBondContact O-N 2.84Å; V142-C146 PolarHBondContact O-SG 3.49Å; V142-C146 VanDerWaalsContact O-SG 3.4Å |
| 143 | F | 98.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.6 | -34.9 | -178.7 | -61.1 | -42.4 | 0 | 0 | 0 | 113.5 | F124 G127 A139 E140 S145 C146 L147 R168 L169 V172 | F124-F143 HydrophobicContact CD1-CD1 4.38Å; F124-F143 HydrophobicContact CD1-CE1 4.5Å; G127-F143 WeakPolarHBondContact O-CZ 3.27Å; A139-F143 HydrophobicContact CB-CE2 4.13Å; A139-F143 WeakPolarHBondContact O-CD2 3.29Å; A139-F143 WeakPolarHBondContact O-CG 3.43Å; A139-F143 PolarHBondContact O-N 3.27Å; E140-F143 PolarHBondContact O-N 2.97Å; F143-S145 VanDerWaalsContact C-N 3.31Å; F143-S145 PolarHBondContact O-N 2.94Å; F143-C146 WeakPolarHBondContact O-CB 3.24Å; F143-C146 PolarHBondContact O-N 3.41Å; F143-L147 WeakPolarHBondContact O-CB 3.41Å; F143-L147 PolarHBondContact O-N 3.02Å; F143-R168 HydrophobicContact CD1-CB 4.18Å; F143-R168 HydrophobicContact CD2-CB 3.93Å; F143-R168 HydrophobicContact CE1-CB 4.04Å; F143-R168 HydrophobicContact CE1-CG 4.28Å; F143-R168 HydrophobicContact CE2-CB 3.76Å; F143-R168 HydrophobicContact CG-CB 4.13Å; F143-R168 HydrophobicContact CZ-CB 3.81Å; F143-R168 HydrophobicContact CZ-CG 4.12Å; F143-L169 HydrophobicContact CB-CD2 3.63Å; F143-L169 HydrophobicContact CB-CG 3.73Å; F143-V172 HydrophobicContact CD2-CG1 4.29Å; F143-V172 HydrophobicContact CD2-CG2 4.22Å; F143-V172 HydrophobicContact CE2-CG1 3.8Å |
| 144 | L | 98.6 | Very high | 95.9 | Very high | 70 Ų | 70 | 35.6 Ų | 35.6 | 37% | 0.366 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 171.7 | -74.2 | 173.5 | 0 | 0 | 0 | 111.7 | E140 V142 C146 L147 Q148 L169 | E140-L144 HydrophobicContact CG-CD1 3.99Å; E140-L144 HydrophobicContact CG-CG 4.29Å; E140-L144 WeakPolarHBondContact O-CB 3.21Å; E140-L144 VanDerWaalsContact O-CG 3.32Å; E140-L144 WeakPolarHBondContact O-CG 3.32Å; E140-L144 PolarHBondContact O-N 2.68Å; V142-L144 PolarHBondContact O-N 2.86Å; L144-C146 VanDerWaalsContact C-N 3.34Å; L144-L147 PolarHBondContact O-N 3.43Å; L144-Q148 PolarHBondContact O-N 2.81Å; L144-L169 HydrophobicContact CD2-CD1 4.08Å; L144-L169 HydrophobicContact CD2-CD2 4.03Å; L144-L169 HydrophobicContact CG-CD2 3.91Å |
| 145 | S | 98.4 | Very high | 95.7 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.6 | -38.3 | 175.7 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | S102 K141 V142 F143 L149 | S102-S145 VanDerWaalsContact CB-OG 3.31Å; S102-S145 WeakPolarHBondContact CB-OG 3.32Å; S102-S145 PolarHBondContact OG-OG 3.39Å; K141-S145 PolarHBondContact O-N 3.09Å; K141-S145 VanDerWaalsContact O-N 3.14Å; K141-S145 PolarHBondContact O-OG 2.91Å; V142-S145 WeakPolarHBondContact O-CB 3.27Å; V142-S145 PolarHBondContact O-N 3.18Å; V142-S145 VanDerWaalsContact O-N 3.12Å; F143-S145 VanDerWaalsContact C-N 3.31Å; F143-S145 PolarHBondContact O-N 2.94Å; S145-L149 PolarHBondContact O-N 2.97Å |
| 146 | C | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.8 | -45.6 | 172.4 | -64.2 | 0 | 0 | 0 | 0 | 112.2 | I120 F124 V142 F143 L144 Q148 L149 C150 | I120-C146 HydrophobicContact CG2-CB 4.47Å; F124-C146 HydrophobicContact CE1-CB 4.13Å; V142-C146 PolarHBondContact O-N 2.84Å; V142-C146 PolarHBondContact O-SG 3.49Å; V142-C146 VanDerWaalsContact O-SG 3.4Å; F143-C146 WeakPolarHBondContact O-CB 3.24Å; F143-C146 PolarHBondContact O-N 3.41Å; L144-C146 VanDerWaalsContact C-N 3.34Å; C146-Q148 VanDerWaalsContact C-N 3.29Å; C146-Q148 PolarHBondContact O-N 2.97Å; C146-L149 WeakPolarHBondContact O-CB 3.45Å; C146-L149 PolarHBondContact O-N 3.21Å; C146-L149 VanDerWaalsContact O-N 3.15Å; C146-C150 PolarHBondContact O-N 3.18Å; C146-C150 PolarHBondContact O-SG 3.46Å |
| 147 | L | 97.6 | Very high | 95.2 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 9% | 0.094 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 179.2 | 179.4 | 63.4 | 0 | 0 | 0 | 110.9 | F143 L144 L149 C150 T151 A162 C165 L169 L188 | F143-L147 WeakPolarHBondContact O-CB 3.41Å; F143-L147 PolarHBondContact O-N 3.02Å; L144-L147 PolarHBondContact O-N 3.43Å; L147-L149 PolarHBondContact O-N 3.45Å; L147-C150 WeakPolarHBondContact O-CB 3.14Å; L147-C150 PolarHBondContact O-N 2.97Å; L147-C150 VanDerWaalsContact O-N 3.15Å; L147-T151 WeakPolarHBondContact O-CG2 3.45Å; L147-T151 PolarHBondContact O-N 2.98Å; L147-A162 HydrophobicContact CD1-CB 4.1Å; L147-C165 HydrophobicContact CB-CB 4.17Å; L147-C165 HydrophobicContact CD1-CB 4.14Å; L147-L169 HydrophobicContact CB-CD1 4.46Å; L147-L169 HydrophobicContact CD2-CD1 3.73Å; L147-L188 HydrophobicContact CD1-CD2 4.31Å; L147-L188 HydrophobicContact CD2-CD2 3.69Å |
| 148 | Q | 96.6 | Very high | 95 | Very high | 116 Ų | 116 | 40.6 Ų | 40.6 | 54% | 0.542 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56.4 | -49 | 173.7 | -173.9 | 179.2 | 6.1 | 0 | 0 | 111.1 | L144 C146 C150 T151 L152 | L144-Q148 PolarHBondContact O-N 2.81Å; C146-Q148 VanDerWaalsContact C-N 3.29Å; C146-Q148 PolarHBondContact O-N 2.97Å; Q148-C150 VanDerWaalsContact C-N 3.31Å; Q148-C150 PolarHBondContact O-N 3.43Å; Q148-T151 PolarHBondContact O-N 3Å; Q148-T151 VanDerWaalsContact O-N 3.13Å; Q148-T151 PolarHBondContact O-OG1 3.18Å; Q148-L152 PolarHBondContact O-N 3.3Å |
| 149 | L | 96.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -38.6 | 176 | -66.6 | -179.7 | 0 | 0 | 0 | 112.9 | C105 I108 A109 K116 A119 I120 S145 C146 L147 T151 L152 | C105-L149 HydrophobicContact CB-CD1 4.07Å; C105-L149 HydrophobicContact CB-CD2 4.47Å; C105-L149 HydrophobicContact CB-CG 4.29Å; I108-L149 HydrophobicContact CG2-CD1 4.38Å; A109-L149 HydrophobicContact CB-CD2 4.32Å; K116-L149 HydrophobicContact CG-CD2 4.42Å; A119-L149 HydrophobicContact CB-CD1 3.99Å; I120-L149 HydrophobicContact CD1-CB 4.06Å; I120-L149 HydrophobicContact CG1-CB 4.03Å; I120-L149 HydrophobicContact CG1-CD1 4.27Å; S145-L149 PolarHBondContact O-N 2.97Å; C146-L149 WeakPolarHBondContact O-CB 3.45Å; C146-L149 PolarHBondContact O-N 3.21Å; C146-L149 VanDerWaalsContact O-N 3.15Å; L147-L149 PolarHBondContact O-N 3.45Å; L149-T151 VanDerWaalsContact C-N 3.28Å; L149-T151 PolarHBondContact O-N 3.01Å; L149-L152 HydrophobicContact CD2-CD1 4.05Å; L149-L152 PolarHBondContact O-N 2.74Å |
| 150 | C | 94.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61 | -38.2 | 176.2 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | C146 L147 Q148 L152 H153 A162 | C146-C150 PolarHBondContact O-N 3.18Å; C146-C150 PolarHBondContact O-SG 3.46Å; L147-C150 WeakPolarHBondContact O-CB 3.14Å; L147-C150 PolarHBondContact O-N 2.97Å; L147-C150 VanDerWaalsContact O-N 3.15Å; Q148-C150 VanDerWaalsContact C-N 3.31Å; Q148-C150 PolarHBondContact O-N 3.43Å; C150-L152 PolarHBondContact O-N 2.81Å; C150-H153 PolarHBondContact O-N 3.36Å; C150-A162 HydrophobicContact CB-CB 4.06Å |
| 151 | T | 91.2 | Very high | 94.5 | Very high | 74 Ų | 74 | 45.6 Ų | 45.6 | 45% | 0.454 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -72.6 | -13.8 | -177.5 | 67.5 | 0 | 0 | 0 | 0 | 114.4 | L147 Q148 L149 H153 Y192 | L147-T151 WeakPolarHBondContact O-CG2 3.45Å; L147-T151 PolarHBondContact O-N 2.98Å; Q148-T151 PolarHBondContact O-N 3Å; Q148-T151 VanDerWaalsContact O-N 3.13Å; Q148-T151 PolarHBondContact O-OG1 3.18Å; L149-T151 VanDerWaalsContact C-N 3.28Å; L149-T151 PolarHBondContact O-N 3.01Å; T151-H153 PolarHBondContact O-N 2.91Å; T151-Y192 VanDerWaalsContact CG2-OH 3.27Å; T151-Y192 WeakPolarHBondContact CG2-OH 3.31Å |
| 152 | L | 91.3 | Very high | 94.4 | Very high | 83 Ų | 83 | 42 Ų | 42 | 44% | 0.435 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -12.1 | 178.6 | -62.5 | 176.2 | 0 | 0 | 0 | 113.4 | A109 Q148 L149 C150 | A109-L152 HydrophobicContact CB-CD1 3.72Å; Q148-L152 PolarHBondContact O-N 3.3Å; L149-L152 HydrophobicContact CD2-CD1 4.05Å; L149-L152 PolarHBondContact O-N 2.74Å; C150-L152 PolarHBondContact O-N 2.81Å |
| 153 | H | 84.5 | Confident | 94.3 | Very high | 38 Ų | 38 | 42.6 Ų | 42.6 | 18% | 0.176 | 21% | 0.213 | C | C | . | . | trans | -126.1 | 139.9 | -178.2 | -71 | -82.4 | 0 | 0 | 0 | 110.5 | K116 C150 T151 H158 | K116-H153 WeakPolarHBondContact CD-NE2 3.46Å; K116-H153 WeakPolarHBondContact CE-NE2 3.37Å; K116-H153 PolarHBondContact NZ-NE2 3.05Å; C150-H153 PolarHBondContact O-N 3.36Å; T151-H153 PolarHBondContact O-N 2.91Å; H153-H158 HydrophobicContact CB-CB 4.16Å; H153-H158 WeakPolarHBondContact CB-ND1 3.28Å; H153-H158 AromaticContact CD2-NE2 3.78Å; H153-H158 AromaticContact CG-CE1 3.75Å; H153-H158 AromaticContact CG-NE2 3.88Å | ||
| 154 | D | 87.3 | Confident | 94.2 | Very high | 111 Ų | 111 | 45 Ų | 45 | 59% | 0.594 | 23% | 0.225 | S | C | * | . | trans | -105.9 | 57.4 | 176.6 | -150.3 | 32.2 | 0 | 0 | 0 | 113.2 | W159 K195 | D154-W159 WeakPolarHBondContact OD1-CZ2 3.44Å; D154-W159 PolarHBondContact OD1-NE1 3.46Å; D154-K195 WeakPolarHBondContact OD1-CE 3.33Å; D154-K195 IonicContact OD1-NZ 2.58Å; D154-K195 PolarHBondContact OD1-NZ 3.3Å; D154-K195 IonicContact OD2-NZ 3.59Å; D154-K195 PolarHBondContact OD2-NZ 3.5Å | ||
| 155 | E | 90.5 | Very high | 94.1 | Very high | 96 Ų | 96 | 41.7 Ų | 41.7 | 45% | 0.449 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -123.4 | 151.1 | -178 | -62.8 | 172.3 | -173.6 | 0 | 0 | 111 | L157 H158 W159 | E155-L157 VanDerWaalsContact C-N 3.28Å; E155-L157 PolarHBondContact O-N 3.26Å; E155-H158 PolarHBondContact O-N 3.14Å; E155-H158 IonicContact OE2-CE1 2.7Å; E155-H158 IonicContact OE2-ND1 2.71Å; E155-H158 PolarHBondContact OE2-ND1 2.85Å; E155-W159 PolarHBondContact O-N 3.23Å |
| 156 | V | 92.6 | Very high | 94.1 | Very high | 42 Ų | 42 | 41.4 Ų | 41.4 | 26% | 0.255 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -52.3 | -44.3 | -178.1 | 175.1 | 0 | 0 | 0 | 0 | 112.5 | H158 W159 Y160 L196 H201 | V156-H158 VanDerWaalsContact C-N 3.3Å; V156-H158 PolarHBondContact O-N 3.2Å; V156-W159 HydrophobicContact CB-CE3 4.43Å; V156-W159 HydrophobicContact CG2-CE3 4.1Å; V156-W159 HydrophobicContact CG2-CH2 4.42Å; V156-W159 HydrophobicContact CG2-CZ3 3.8Å; V156-W159 PolarHBondContact O-N 3.47Å; V156-Y160 HydrophobicContact CG1-CD2 3.8Å; V156-Y160 HydrophobicContact CG1-CE2 3.58Å; V156-Y160 VanDerWaalsContact O-CD2 3.28Å; V156-Y160 WeakPolarHBondContact O-CD2 3.27Å; V156-Y160 PolarHBondContact O-N 3.14Å; V156-L196 HydrophobicContact CG1-CD2 4.04Å; V156-H201 WeakPolarHBondContact CG2-NE2 3.49Å |
| 157 | L | 92.5 | Very high | 94.1 | Very high | 78 Ų | 78 | 42.4 Ų | 42.4 | 41% | 0.408 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -55.8 | -45.9 | 177.4 | 176.8 | 63.3 | 0 | 0 | 0 | 111.6 | E155 Y160 R161 | E155-L157 VanDerWaalsContact C-N 3.28Å; E155-L157 PolarHBondContact O-N 3.26Å; L157-Y160 WeakPolarHBondContact O-CB 3.47Å; L157-Y160 PolarHBondContact O-N 3.47Å; L157-R161 WeakPolarHBondContact O-CG 3.37Å; L157-R161 PolarHBondContact O-N 3.27Å |
| 158 | H | 92.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.1 | -29.7 | -178.1 | -64.8 | 94.6 | 0 | 0 | 0 | 112.2 | H153 E155 V156 R161 A162 | H153-H158 HydrophobicContact CB-CB 4.16Å; H153-H158 WeakPolarHBondContact CB-ND1 3.28Å; H153-H158 AromaticContact CD2-NE2 3.78Å; H153-H158 AromaticContact CG-CE1 3.75Å; H153-H158 AromaticContact CG-NE2 3.88Å; E155-H158 PolarHBondContact O-N 3.14Å; E155-H158 IonicContact OE2-CE1 2.7Å; E155-H158 IonicContact OE2-ND1 2.71Å; E155-H158 PolarHBondContact OE2-ND1 2.85Å; V156-H158 VanDerWaalsContact C-N 3.3Å; V156-H158 PolarHBondContact O-N 3.2Å; H158-R161 PolarHBondContact O-N 3.11Å; H158-A162 WeakPolarHBondContact O-CB 3.18Å; H158-A162 PolarHBondContact O-N 3.39Å |
| 159 | W | 94.9 | Very high | 94.2 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -42.8 | 171 | -53.8 | -21 | 0 | 0 | 0 | 111.6 | D154 E155 V156 R161 A162 V163 Y192 K195 L196 H199 | D154-W159 WeakPolarHBondContact OD1-CZ2 3.44Å; D154-W159 PolarHBondContact OD1-NE1 3.46Å; E155-W159 PolarHBondContact O-N 3.23Å; V156-W159 HydrophobicContact CB-CE3 4.43Å; V156-W159 HydrophobicContact CG2-CE3 4.1Å; V156-W159 HydrophobicContact CG2-CH2 4.42Å; V156-W159 HydrophobicContact CG2-CZ3 3.8Å; V156-W159 PolarHBondContact O-N 3.47Å; W159-R161 VanDerWaalsContact C-N 3.34Å; W159-R161 PolarHBondContact O-N 2.91Å; W159-A162 WeakPolarHBondContact O-CB 3.44Å; W159-A162 PolarHBondContact O-N 3.19Å; W159-V163 WeakPolarHBondContact O-CG2 3.4Å; W159-V163 PolarHBondContact O-N 2.85Å; W159-Y192 HydrophobicContact CB-CD1 4.08Å; W159-Y192 AromaticContact CD1-CD1 4Å; W159-Y192 AromaticContact CD1-CE1 4Å; W159-Y192 HydrophobicContact CG-CD1 4.21Å; W159-K195 HydrophobicContact CD2-CD 3.83Å; W159-K195 HydrophobicContact CD2-CG 3.97Å; W159-K195 VanDerWaalsContact CE2-CE 3.42Å; W159-K195 HydrophobicContact CE3-CD 4.3Å; W159-K195 HydrophobicContact CE3-CG 3.94Å; W159-K195 HydrophobicContact CG-CD 4.24Å; W159-K195 HydrophobicContact CH2-CD 4.39Å; W159-K195 HydrophobicContact CH2-CG 4.23Å; W159-K195 HydrophobicContact CZ2-CD 3.92Å; W159-K195 HydrophobicContact CZ2-CG 4.26Å; W159-K195 HydrophobicContact CZ3-CG 4.06Å; W159-L196 HydrophobicContact CB-CD2 3.95Å; W159-L196 HydrophobicContact CB-CG 4.02Å; W159-L196 HydrophobicContact CE3-CD2 4.07Å; W159-L196 HydrophobicContact CE3-CG 4.49Å; W159-H199 AromaticContact CH2-CE1 3.71Å; W159-H199 AromaticContact CH2-ND1 3.84Å; W159-H199 AromaticContact CH2-NE2 3.82Å; W159-H199 HydrophobicContact CZ3-CB 4.13Å; W159-H199 AromaticContact CZ3-CE1 3.93Å; W159-H199 AromaticContact CZ3-CG 3.69Å; W159-H199 AromaticContact CZ3-ND1 3.56Å |
| 160 | Y | 95.3 | Very high | 94.3 | Very high | 75 Ų | 75 | 39.4 Ų | 39.4 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 172.1 | -83.4 | -72.8 | 0 | 0 | 0 | 111.5 | V156 L157 A162 V163 E164 L196 H201 Q202 A203 | V156-Y160 HydrophobicContact CG1-CD2 3.8Å; V156-Y160 HydrophobicContact CG1-CE2 3.58Å; V156-Y160 VanDerWaalsContact O-CD2 3.28Å; V156-Y160 WeakPolarHBondContact O-CD2 3.27Å; V156-Y160 PolarHBondContact O-N 3.14Å; L157-Y160 WeakPolarHBondContact O-CB 3.47Å; L157-Y160 PolarHBondContact O-N 3.47Å; Y160-A162 VanDerWaalsContact C-N 3.3Å; Y160-A162 PolarHBondContact O-N 3.46Å; Y160-V163 PolarHBondContact O-N 2.95Å; Y160-E164 WeakPolarHBondContact O-CB 3.47Å; Y160-E164 PolarHBondContact O-N 3.29Å; Y160-L196 HydrophobicContact CD1-CD1 3.96Å; Y160-L196 HydrophobicContact CD1-CD2 4.43Å; Y160-L196 HydrophobicContact CD2-CD2 3.69Å; Y160-L196 HydrophobicContact CE1-CD1 4.1Å; Y160-L196 HydrophobicContact CE1-CD2 4.35Å; Y160-L196 HydrophobicContact CE2-CD2 3.57Å; Y160-L196 HydrophobicContact CG-CD1 4.23Å; Y160-L196 HydrophobicContact CG-CD2 4.12Å; Y160-H201 HydrophobicContact CE2-CB 4.31Å; Y160-H201 WeakPolarHBondContact OH-CB 3.07Å; Y160-Q202 PolarHBondContact OH-O 3.37Å; Y160-A203 HydrophobicContact CD1-CB 4.06Å; Y160-A203 HydrophobicContact CE1-CB 3.59Å |
| 161 | R | 95.7 | Very high | 94.4 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 21% | 0.208 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63 | -35.5 | 175.9 | -67.1 | -63.5 | -179.4 | -125.2 | -7.7 | 112.7 | E117 I120 L157 H158 W159 E164 C165 | E117-R161 IonicContact OE1-CZ 2.68Å; E117-R161 VanDerWaalsContact OE1-CZ 3.29Å; E117-R161 IonicContact OE1-NE 2.51Å; E117-R161 PolarHBondContact OE1-NE 3.25Å; E117-R161 IonicContact OE1-NH2 3.97Å; E117-R161 PolarHBondContact OE1-NH2 3.03Å; E117-R161 IonicContact OE2-NE 2.91Å; E117-R161 PolarHBondContact OE2-NE 3.48Å; I120-R161 HydrophobicContact CG2-CB 4.35Å; I120-R161 HydrophobicContact CG2-CG 4.37Å; L157-R161 WeakPolarHBondContact O-CG 3.37Å; L157-R161 PolarHBondContact O-N 3.27Å; H158-R161 PolarHBondContact O-N 3.11Å; W159-R161 VanDerWaalsContact C-N 3.34Å; W159-R161 PolarHBondContact O-N 2.91Å; R161-E164 IonicContact CZ-OE2 3.43Å; R161-E164 IonicContact NH1-OE2 3.22Å; R161-E164 PolarHBondContact NH1-OE2 3.02Å; R161-E164 PolarHBondContact O-N 3.04Å; R161-C165 WeakPolarHBondContact O-CB 3.46Å; R161-C165 PolarHBondContact O-N 3.48Å; R161-C165 PolarHBondContact O-SG 3.16Å |
| 162 | A | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L147 C150 H158 W159 Y160 E164 C165 C166 Y192 | L147-A162 HydrophobicContact CD1-CB 4.1Å; C150-A162 HydrophobicContact CB-CB 4.06Å; H158-A162 WeakPolarHBondContact O-CB 3.18Å; H158-A162 PolarHBondContact O-N 3.39Å; W159-A162 WeakPolarHBondContact O-CB 3.44Å; W159-A162 PolarHBondContact O-N 3.19Å; Y160-A162 VanDerWaalsContact C-N 3.3Å; Y160-A162 PolarHBondContact O-N 3.46Å; A162-E164 VanDerWaalsContact C-N 3.34Å; A162-C165 WeakPolarHBondContact O-CB 3.39Å; A162-C165 PolarHBondContact O-N 2.82Å; A162-C166 PolarHBondContact O-N 3.03Å; A162-C166 PolarHBondContact O-SG 3.2Å; A162-Y192 HydrophobicContact CB-CD1 3.9Å; A162-Y192 HydrophobicContact CB-CD2 3.65Å; A162-Y192 HydrophobicContact CB-CE1 3.86Å; A162-Y192 HydrophobicContact CB-CE2 3.6Å; A162-Y192 HydrophobicContact CB-CG 3.81Å |
| 163 | V | 96.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 36 Ų | 36 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 172.4 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | W159 Y160 C165 C166 V167 M193 L196 | W159-V163 WeakPolarHBondContact O-CG2 3.4Å; W159-V163 PolarHBondContact O-N 2.85Å; Y160-V163 PolarHBondContact O-N 2.95Å; V163-C165 VanDerWaalsContact C-N 3.33Å; V163-C165 PolarHBondContact O-N 3.31Å; V163-C166 WeakPolarHBondContact O-CB 3.38Å; V163-C166 PolarHBondContact O-N 3.13Å; V163-V167 WeakPolarHBondContact O-CG2 3.49Å; V163-V167 PolarHBondContact O-N 3.11Å; V163-M193 HydrophobicContact CB-SD 4.47Å; V163-M193 HydrophobicContact CG1-CG 4.31Å; V163-M193 HydrophobicContact CG1-SD 3.78Å; V163-M193 HydrophobicContact CG2-CG 4.04Å; V163-M193 HydrophobicContact CG2-SD 3.86Å; V163-L196 HydrophobicContact CG2-CD1 4.05Å |
| 164 | E | 96 | Very high | 95.7 | Very high | 54 Ų | 54 | 35 Ų | 35 | 25% | 0.252 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62 | -38.1 | 179.2 | -172 | 172.8 | -171 | 0 | 0 | 112.8 | F124 Y160 R161 A162 R168 | F124-E164 HydrophobicContact CD2-CG 4.34Å; F124-E164 HydrophobicContact CE2-CB 4.14Å; F124-E164 VanDerWaalsContact CE2-CD 3.4Å; F124-E164 HydrophobicContact CE2-CG 3.69Å; F124-E164 WeakPolarHBondContact CE2-OE2 3.4Å; F124-E164 HydrophobicContact CZ-CB 4.19Å; F124-E164 HydrophobicContact CZ-CG 4.07Å; Y160-E164 WeakPolarHBondContact O-CB 3.47Å; Y160-E164 PolarHBondContact O-N 3.29Å; R161-E164 IonicContact CZ-OE2 3.43Å; R161-E164 IonicContact NH1-OE2 3.22Å; R161-E164 PolarHBondContact NH1-OE2 3.02Å; R161-E164 PolarHBondContact O-N 3.04Å; A162-E164 VanDerWaalsContact C-N 3.34Å; E164-R168 PolarHBondContact O-N 3.09Å; E164-R168 PolarHBondContact O-NH1 2.83Å; E164-R168 IonicContact OE1-CZ 2.84Å; E164-R168 VanDerWaalsContact OE1-CZ 3.29Å; E164-R168 IonicContact OE1-NH1 2.71Å; E164-R168 PolarHBondContact OE1-NH1 3.16Å; E164-R168 IonicContact OE1-NH2 3.36Å; E164-R168 PolarHBondContact OE1-NH2 3.08Å |
| 165 | C | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 169.5 | -70.9 | 0 | 0 | 0 | 0 | 111 | F124 L147 R161 A162 V163 V167 R168 L169 | F124-C165 HydrophobicContact CE1-CB 4.41Å; F124-C165 WeakPolarHBondContact CE1-SG 3.21Å; F124-C165 WeakPolarHBondContact CZ-SG 3.41Å; L147-C165 HydrophobicContact CB-CB 4.17Å; L147-C165 HydrophobicContact CD1-CB 4.14Å; R161-C165 WeakPolarHBondContact O-CB 3.46Å; R161-C165 PolarHBondContact O-N 3.48Å; R161-C165 PolarHBondContact O-SG 3.16Å; A162-C165 WeakPolarHBondContact O-CB 3.39Å; A162-C165 PolarHBondContact O-N 2.82Å; V163-C165 VanDerWaalsContact C-N 3.33Å; V163-C165 PolarHBondContact O-N 3.31Å; C165-V167 VanDerWaalsContact C-N 3.35Å; C165-V167 PolarHBondContact O-N 3.38Å; C165-R168 PolarHBondContact O-N 2.84Å; C165-L169 WeakPolarHBondContact O-CB 3.29Å; C165-L169 WeakPolarHBondContact O-CG 3.45Å; C165-L169 PolarHBondContact O-N 3.03Å |
| 166 | C | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.8 | -41.4 | -177.1 | -68.5 | 0 | 0 | 0 | 0 | 111.6 | A162 V163 R168 L169 L170 T185 A189 | A162-C166 PolarHBondContact O-N 3.03Å; A162-C166 PolarHBondContact O-SG 3.2Å; V163-C166 WeakPolarHBondContact O-CB 3.38Å; V163-C166 PolarHBondContact O-N 3.13Å; C166-R168 VanDerWaalsContact C-N 3.33Å; C166-R168 PolarHBondContact O-N 3.49Å; C166-L169 PolarHBondContact O-N 2.88Å; C166-L170 VanDerWaalsContact O-CB 3.29Å; C166-L170 WeakPolarHBondContact O-CB 3.37Å; C166-L170 PolarHBondContact O-N 3.39Å; C166-T185 HydrophobicContact CB-CG2 3.8Å; C166-T185 WeakPolarHBondContact O-CG2 3.44Å; C166-A189 HydrophobicContact CB-CB 3.68Å |
| 167 | V | 98 | Very high | 96.5 | Very high | 21 Ų | 21 | 26 Ų | 26 | 13% | 0.127 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.8 | -45.1 | 174.9 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | V163 C165 L170 H171 A207 L208 E211 | V163-V167 WeakPolarHBondContact O-CG2 3.49Å; V163-V167 PolarHBondContact O-N 3.11Å; C165-V167 VanDerWaalsContact C-N 3.35Å; C165-V167 PolarHBondContact O-N 3.38Å; V167-L170 PolarHBondContact O-N 3.38Å; V167-H171 PolarHBondContact O-N 3.25Å; V167-A207 HydrophobicContact CG1-CB 3.88Å; V167-L208 HydrophobicContact CG2-CB 3.86Å; V167-L208 HydrophobicContact CG2-CD1 4.11Å; V167-E211 HydrophobicContact CG1-CG 4.27Å |
| 168 | R | 98.3 | Very high | 96.7 | Very high | 73 Ų | 73 | 25.4 Ų | 25.4 | 28% | 0.275 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -67.3 | -40 | 177.8 | -75.1 | 165.6 | 177.8 | 67 | -11.2 | 112.9 | F143 E164 C165 C166 L170 H171 V172 | F143-R168 HydrophobicContact CD1-CB 4.18Å; F143-R168 HydrophobicContact CD2-CB 3.93Å; F143-R168 HydrophobicContact CE1-CB 4.04Å; F143-R168 HydrophobicContact CE1-CG 4.28Å; F143-R168 HydrophobicContact CE2-CB 3.76Å; F143-R168 HydrophobicContact CG-CB 4.13Å; F143-R168 HydrophobicContact CZ-CB 3.81Å; F143-R168 HydrophobicContact CZ-CG 4.12Å; E164-R168 PolarHBondContact O-N 3.09Å; E164-R168 PolarHBondContact O-NH1 2.83Å; E164-R168 IonicContact OE1-CZ 2.84Å; E164-R168 VanDerWaalsContact OE1-CZ 3.29Å; E164-R168 IonicContact OE1-NH1 2.71Å; E164-R168 PolarHBondContact OE1-NH1 3.16Å; E164-R168 IonicContact OE1-NH2 3.36Å; E164-R168 PolarHBondContact OE1-NH2 3.08Å; C165-R168 PolarHBondContact O-N 2.84Å; C166-R168 VanDerWaalsContact C-N 3.33Å; C166-R168 PolarHBondContact O-N 3.49Å; R168-L170 VanDerWaalsContact C-N 3.32Å; R168-H171 PolarHBondContact O-N 3.13Å; R168-V172 WeakPolarHBondContact O-CG2 3.32Å; R168-V172 PolarHBondContact O-N 3.48Å; R168-V172 VanDerWaalsContact O-N 3.11Å |
| 169 | L | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 174.3 | -80.6 | 167.7 | 0 | 0 | 0 | 111.2 | E140 F143 L144 L147 C165 C166 V172 R173 T185 | E140-L169 HydrophobicContact CG-CD2 3.9Å; F143-L169 HydrophobicContact CB-CD2 3.63Å; F143-L169 HydrophobicContact CB-CG 3.73Å; L144-L169 HydrophobicContact CD2-CD1 4.08Å; L144-L169 HydrophobicContact CD2-CD2 4.03Å; L144-L169 HydrophobicContact CG-CD2 3.91Å; L147-L169 HydrophobicContact CB-CD1 4.46Å; L147-L169 HydrophobicContact CD2-CD1 3.73Å; C165-L169 WeakPolarHBondContact O-CB 3.29Å; C165-L169 WeakPolarHBondContact O-CG 3.45Å; C165-L169 PolarHBondContact O-N 3.03Å; C166-L169 PolarHBondContact O-N 2.88Å; L169-V172 VanDerWaalsContact O-CG2 3.32Å; L169-V172 WeakPolarHBondContact O-CG2 3.42Å; L169-V172 PolarHBondContact O-N 3.27Å; L169-R173 WeakPolarHBondContact O-CB 3.36Å; L169-R173 WeakPolarHBondContact O-CD 3.44Å; L169-R173 WeakPolarHBondContact O-CG 3.27Å; L169-R173 PolarHBondContact O-N 2.66Å; L169-T185 HydrophobicContact CB-CG2 3.92Å |
| 170 | L | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 178.4 | -172.6 | 55.6 | 0 | 0 | 0 | 110.5 | C166 V167 R168 V172 R173 N174 G182 T185 V186 L208 E211 L215 | C166-L170 VanDerWaalsContact O-CB 3.29Å; C166-L170 WeakPolarHBondContact O-CB 3.37Å; C166-L170 PolarHBondContact O-N 3.39Å; V167-L170 PolarHBondContact O-N 3.38Å; R168-L170 VanDerWaalsContact C-N 3.32Å; L170-V172 PolarHBondContact O-N 3.05Å; L170-R173 PolarHBondContact O-N 3.25Å; L170-N174 WeakPolarHBondContact O-CB 3.5Å; L170-N174 PolarHBondContact O-N 3.18Å; L170-N174 PolarHBondContact O-ND2 2.58Å; L170-N174 PolarHBondContact O-OD1 2.95Å; L170-G182 WeakPolarHBondContact CD1-O 3.34Å; L170-T185 HydrophobicContact CB-CG2 4.03Å; L170-V186 HydrophobicContact CD1-CG2 3.94Å; L170-V186 HydrophobicContact CD2-CG2 3.62Å; L170-V186 HydrophobicContact CG-CG2 4.46Å; L170-L208 HydrophobicContact CD2-CD1 4.35Å; L170-E211 HydrophobicContact CB-CB 4.3Å; L170-E211 HydrophobicContact CD2-CB 3.52Å; L170-E211 HydrophobicContact CG-CB 3.81Å; L170-L215 HydrophobicContact CD1-CD2 4.08Å |
| 171 | H | 98 | Very high | 97 | Very high | 64 Ų | 64 | 30 Ų | 30 | 30% | 0.296 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -54.4 | -54 | 174.8 | -176.2 | 78.1 | 0 | 0 | 0 | 112.9 | S131 V167 R168 R173 N174 G175 E211 | S131-H171 PolarHBondContact OG-CD2 3.41Å; V167-H171 PolarHBondContact O-N 3.25Å; R168-H171 PolarHBondContact O-N 3.13Å; H171-R173 VanDerWaalsContact C-N 3.34Å; H171-R173 PolarHBondContact O-N 3.15Å; H171-N174 PolarHBondContact O-N 3.38Å; H171-G175 PolarHBondContact O-N 2.83Å; H171-E211 WeakPolarHBondContact CA-OE2 3.47Å; H171-E211 HydrophobicContact CB-CG 4.45Å; H171-E211 IonicContact CE1-OE1 2.68Å; H171-E211 IonicContact CG-OE1 3.4Å; H171-E211 IonicContact ND1-OE1 3.37Å; H171-E211 PolarHBondContact ND1-OE1 3.46Å; H171-E211 IonicContact ND1-OE2 2.82Å |
| 172 | V | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.6 | -30.8 | -178.5 | -59.9 | 0 | 0 | 0 | 0 | 112.7 | S131 Y136 A139 E140 F143 R168 L169 L170 N176 | S131-V172 WeakPolarHBondContact OG-CG1 3.46Å; Y136-V172 HydrophobicContact CD1-CB 4.09Å; Y136-V172 HydrophobicContact CD1-CG1 4.02Å; Y136-V172 HydrophobicContact CG-CB 4.49Å; A139-V172 HydrophobicContact CB-CG1 4Å; E140-V172 HydrophobicContact CB-CG2 3.91Å; E140-V172 HydrophobicContact CG-CG2 4.46Å; F143-V172 HydrophobicContact CD2-CG1 4.29Å; F143-V172 HydrophobicContact CD2-CG2 4.22Å; F143-V172 HydrophobicContact CE2-CG1 3.8Å; R168-V172 WeakPolarHBondContact O-CG2 3.32Å; R168-V172 PolarHBondContact O-N 3.48Å; R168-V172 VanDerWaalsContact O-N 3.11Å; L169-V172 VanDerWaalsContact O-CG2 3.32Å; L169-V172 WeakPolarHBondContact O-CG2 3.42Å; L169-V172 PolarHBondContact O-N 3.27Å; L170-V172 PolarHBondContact O-N 3.05Å; V172-N176 WeakPolarHBondContact O-CB 3.37Å; V172-N176 PolarHBondContact O-N 3.08Å |
| 173 | R | 98.1 | Very high | 97.1 | Very high | 22 Ų | 22 | 30.8 Ų | 30.8 | 8% | 0.083 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.7 | -41 | 175.7 | -75.8 | 170.1 | 172.2 | -166.2 | -5.8 | 111.4 | E140 L169 L170 H171 N176 C177 K178 L181 T185 | E140-R173 IonicContact OE1-CZ 3.43Å; E140-R173 IonicContact OE1-NE 2.91Å; E140-R173 PolarHBondContact OE1-NE 3.46Å; E140-R173 IonicContact OE1-NH2 3.06Å; E140-R173 PolarHBondContact OE1-NH2 2.92Å; L169-R173 WeakPolarHBondContact O-CB 3.36Å; L169-R173 WeakPolarHBondContact O-CD 3.44Å; L169-R173 WeakPolarHBondContact O-CG 3.27Å; L169-R173 PolarHBondContact O-N 2.66Å; L170-R173 PolarHBondContact O-N 3.25Å; H171-R173 VanDerWaalsContact C-N 3.34Å; H171-R173 PolarHBondContact O-N 3.15Å; R173-N176 CarbonylContact O-C 3.57Å; R173-N176 PolarHBondContact O-N 3.16Å; R173-C177 PolarHBondContact O-N 2.85Å; R173-C177 VanDerWaalsContact O-N 3.13Å; R173-K178 HydrophobicContact CB-CB 4.25Å; R173-K178 HydrophobicContact CG-CB 4.35Å; R173-K178 PolarHBondContact O-N 2.91Å; R173-L181 HydrophobicContact CG-CB 4.38Å; R173-L181 PolarHBondContact NH1-O 2.85Å; R173-T185 PolarHBondContact NH1-OG1 3.43Å |
| 174 | N | 96.9 | Very high | 97.1 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61 | -52.4 | 173.1 | -71.2 | -13.7 | 0 | 0 | 0 | 110.5 | L170 H171 N176 C177 E211 L215 | L170-N174 WeakPolarHBondContact O-CB 3.5Å; L170-N174 PolarHBondContact O-N 3.18Å; L170-N174 PolarHBondContact O-ND2 2.58Å; L170-N174 PolarHBondContact O-OD1 2.95Å; H171-N174 PolarHBondContact O-N 3.38Å; N174-N176 PolarHBondContact O-N 3.1Å; N174-C177 PolarHBondContact O-N 3.03Å; N174-E211 PolarHBondContact ND2-O 2.85Å; N174-E211 PolarHBondContact ND2-OE2 3.42Å; N174-L215 WeakPolarHBondContact OD1-CB 3.41Å; N174-L215 WeakPolarHBondContact OD1-CD1 3.26Å |
| 175 | G | 95.2 | Very high | 97.2 | Very high | 26 Ų | 26 | 33.1 Ų | 33.1 | 27% | 0.268 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.4 | -28.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y136 H171 | Y136-G175 WeakPolarHBondContact CE2-O 3.21Å; H171-G175 PolarHBondContact O-N 2.83Å |
| 176 | N | 96.1 | Very high | 97.2 | Very high | 13 Ų | 13 | 34.4 Ų | 34.4 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 15.7 | 177.4 | -153.8 | 28.8 | 0 | 0 | 0 | 113.6 | Y136 V172 R173 N174 K178 H372 | Y136-N176 HydrophobicContact CD2-CB 3.99Å; Y136-N176 HydrophobicContact CG-CB 4.22Å; V172-N176 WeakPolarHBondContact O-CB 3.37Å; V172-N176 PolarHBondContact O-N 3.08Å; R173-N176 CarbonylContact O-C 3.57Å; R173-N176 PolarHBondContact O-N 3.16Å; N174-N176 PolarHBondContact O-N 3.1Å; N176-K178 WeakPolarHBondContact ND2-CE 3.35Å; N176-K178 PolarHBondContact O-N 3.48Å; N176-K178 VanDerWaalsContact O-N 3.09Å; N176-H372 PolarHBondContact O-NE2 3.48Å; N176-H372 PolarHBondContact OD1-NE2 3.2Å |
| 177 | C | 96.6 | Very high | 97.2 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 14% | 0.142 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 24.2 | 178.2 | -57.6 | 0 | 0 | 0 | 0 | 116 | R173 N174 Y179 L373 | R173-C177 PolarHBondContact O-N 2.85Å; R173-C177 VanDerWaalsContact O-N 3.13Å; N174-C177 PolarHBondContact O-N 3.03Å; C177-Y179 VanDerWaalsContact C-N 3.29Å; C177-Y179 HydrophobicContact CB-CE2 4.21Å; C177-Y179 PolarHBondContact O-N 3.27Å; C177-Y179 PolarHBondContact SG-OH 3.48Å; C177-L373 HydrophobicContact CB-CB 3.82Å; C177-L373 HydrophobicContact CB-CD2 3.79Å; C177-L373 HydrophobicContact CB-CG 4.29Å |
| 178 | K | 96.4 | Very high | 97.2 | Very high | 65 Ų | 65 | 43.2 Ų | 43.2 | 28% | 0.283 | 21% | 0.208 | S | C | . | . | trans | -90.5 | 55.5 | 177 | -62.2 | -171.8 | -176.2 | 174.7 | 0 | 111.4 | E140 R173 N176 H180 L181 G182 | E140-K178 IonicContact OE2-NZ 2.9Å; E140-K178 PolarHBondContact OE2-NZ 3.38Å; R173-K178 HydrophobicContact CB-CB 4.25Å; R173-K178 HydrophobicContact CG-CB 4.35Å; R173-K178 PolarHBondContact O-N 2.91Å; N176-K178 WeakPolarHBondContact ND2-CE 3.35Å; N176-K178 PolarHBondContact O-N 3.48Å; N176-K178 VanDerWaalsContact O-N 3.09Å; K178-H180 VanDerWaalsContact C-N 3.34Å; K178-H180 PolarHBondContact O-N 2.93Å; K178-L181 HydrophobicContact CB-CB 4.4Å; K178-L181 HydrophobicContact CB-CD1 4.25Å; K178-L181 HydrophobicContact CB-CG 4.48Å; K178-L181 HydrophobicContact CD-CD1 3.91Å; K178-L181 PolarHBondContact O-N 2.73Å; K178-L181 VanDerWaalsContact O-N 3.14Å; K178-G182 PolarHBondContact O-N 3.5Å | ||
| 179 | Y | 96.1 | Very high | 97.1 | Very high | 29 Ų | 29 | 39.8 Ų | 39.8 | 11% | 0.114 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.2 | -36.6 | -169.4 | -52.3 | -51.1 | 0 | 0 | 0 | 114.3 | C177 L181 G182 E183 L215 A218 K219 L373 F421 | C177-Y179 VanDerWaalsContact C-N 3.29Å; C177-Y179 HydrophobicContact CB-CE2 4.21Å; C177-Y179 PolarHBondContact O-N 3.27Å; C177-Y179 PolarHBondContact SG-OH 3.48Å; Y179-L181 VanDerWaalsContact C-N 3.34Å; Y179-L181 PolarHBondContact O-N 2.87Å; Y179-G182 WeakPolarHBondContact O-CA 3.48Å; Y179-G182 PolarHBondContact O-N 2.94Å; Y179-E183 PolarHBondContact O-N 3.31Å; Y179-L215 HydrophobicContact CD1-CD1 3.86Å; Y179-L215 HydrophobicContact CG-CD1 4.23Å; Y179-A218 HydrophobicContact CD1-CB 4.26Å; Y179-A218 HydrophobicContact CE1-CB 3.58Å; Y179-K219 HydrophobicContact CG-CG 4.32Å; Y179-L373 HydrophobicContact CD2-CD2 4.38Å; Y179-L373 HydrophobicContact CE2-CD2 3.55Å; Y179-F421 HydrophobicContact CD2-CD1 4.44Å; Y179-F421 AromaticContact CD2-CE1 3.7Å; Y179-F421 HydrophobicContact CD2-CE1 3.7Å; Y179-F421 HydrophobicContact CD2-CZ 4.39Å; Y179-F421 HydrophobicContact CE2-CD1 4.49Å; Y179-F421 AromaticContact CE2-CE1 3.41Å; Y179-F421 HydrophobicContact CE2-CE1 3.41Å; Y179-F421 VanDerWaalsContact CE2-CE1 3.41Å; Y179-F421 AromaticContact CE2-CZ 3.69Å; Y179-F421 HydrophobicContact CE2-CZ 3.69Å |
| 180 | H | 95.3 | Very high | 97 | Very high | 120 Ų | 120 | 43.1 Ų | 43.1 | 56% | 0.556 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -59.8 | -43.7 | 176.2 | 67.3 | -82.3 | 0 | 0 | 0 | 112 | K178 G182 E183 E184 | K178-H180 VanDerWaalsContact C-N 3.34Å; K178-H180 PolarHBondContact O-N 2.93Å; H180-G182 VanDerWaalsContact C-N 3.28Å; H180-G182 PolarHBondContact O-N 3.46Å; H180-E183 PolarHBondContact O-N 3.26Å; H180-E184 PolarHBondContact O-N 3.49Å |
| 181 | L | 97.4 | Very high | 96.9 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 19% | 0.188 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.7 | -30.2 | 174 | -59.4 | -175.8 | 0 | 0 | 0 | 111.7 | R173 K178 Y179 E184 T185 | R173-L181 HydrophobicContact CG-CB 4.38Å; R173-L181 PolarHBondContact NH1-O 2.85Å; K178-L181 HydrophobicContact CB-CB 4.4Å; K178-L181 HydrophobicContact CB-CD1 4.25Å; K178-L181 HydrophobicContact CB-CG 4.48Å; K178-L181 HydrophobicContact CD-CD1 3.91Å; K178-L181 PolarHBondContact O-N 2.73Å; K178-L181 VanDerWaalsContact O-N 3.14Å; Y179-L181 VanDerWaalsContact C-N 3.34Å; Y179-L181 PolarHBondContact O-N 2.87Å; L181-E184 PolarHBondContact O-N 3.44Å; L181-T185 PolarHBondContact O-N 3.48Å; L181-T185 PolarHBondContact O-OG1 3.32Å |
| 182 | G | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.9 | -44.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | L170 K178 Y179 H180 E184 T185 V186 | L170-G182 WeakPolarHBondContact CD1-O 3.34Å; K178-G182 PolarHBondContact O-N 3.5Å; Y179-G182 WeakPolarHBondContact O-CA 3.48Å; Y179-G182 PolarHBondContact O-N 2.94Å; H180-G182 VanDerWaalsContact C-N 3.28Å; H180-G182 PolarHBondContact O-N 3.46Å; G182-E184 VanDerWaalsContact C-N 3.34Å; G182-E184 PolarHBondContact O-N 3.05Å; G182-T185 WeakPolarHBondContact O-CA 3.45Å; G182-T185 WeakPolarHBondContact O-CB 3.5Å; G182-T185 PolarHBondContact O-N 2.87Å; G182-T185 VanDerWaalsContact O-N 3.11Å; G182-V186 WeakPolarHBondContact O-CG2 3.48Å; G182-V186 PolarHBondContact O-N 3.05Å |
| 183 | E | 96.8 | Very high | 96.7 | Very high | 71 Ų | 71 | 47 Ų | 47 | 33% | 0.332 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 176.5 | -67.6 | 179.4 | 126.5 | 0 | 0 | 112.5 | Y179 H180 T185 V186 K187 L215 K219 | Y179-E183 PolarHBondContact O-N 3.31Å; H180-E183 PolarHBondContact O-N 3.26Å; E183-T185 VanDerWaalsContact C-N 3.34Å; E183-V186 PolarHBondContact O-N 3.2Å; E183-K187 WeakPolarHBondContact O-CG 3.5Å; E183-K187 PolarHBondContact O-N 3.04Å; E183-K187 VanDerWaalsContact O-N 3.14Å; E183-L215 HydrophobicContact CG-CD2 3.96Å; E183-K219 IonicContact OE1-NZ 3.47Å; E183-K219 PolarHBondContact OE1-NZ 2.98Å; E183-K219 IonicContact OE2-NZ 3.07Å; E183-K219 PolarHBondContact OE2-NZ 3.07Å |
| 184 | E | 97.4 | Very high | 96.5 | Very high | 112 Ų | 112 | 49.3 Ų | 49.3 | 52% | 0.523 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 172.2 | -66 | 176.4 | 179.4 | 0 | 0 | 111.6 | H180 L181 G182 V186 K187 L188 | H180-E184 PolarHBondContact O-N 3.49Å; L181-E184 PolarHBondContact O-N 3.44Å; G182-E184 VanDerWaalsContact C-N 3.34Å; G182-E184 PolarHBondContact O-N 3.05Å; E184-V186 VanDerWaalsContact C-N 3.35Å; E184-V186 PolarHBondContact O-N 2.92Å; E184-K187 PolarHBondContact O-N 3.49Å; E184-L188 PolarHBondContact O-N 3.21Å |
| 185 | T | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -41 | 175.1 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | C166 L169 L170 R173 L181 G182 E183 L188 A189 | C166-T185 HydrophobicContact CB-CG2 3.8Å; C166-T185 WeakPolarHBondContact O-CG2 3.44Å; L169-T185 HydrophobicContact CB-CG2 3.92Å; L170-T185 HydrophobicContact CB-CG2 4.03Å; R173-T185 PolarHBondContact NH1-OG1 3.43Å; L181-T185 PolarHBondContact O-N 3.48Å; L181-T185 PolarHBondContact O-OG1 3.32Å; G182-T185 WeakPolarHBondContact O-CA 3.45Å; G182-T185 WeakPolarHBondContact O-CB 3.5Å; G182-T185 PolarHBondContact O-N 2.87Å; G182-T185 VanDerWaalsContact O-N 3.11Å; E183-T185 VanDerWaalsContact C-N 3.34Å; T185-L188 PolarHBondContact O-N 3.31Å; T185-A189 WeakPolarHBondContact O-CB 3.32Å; T185-A189 PolarHBondContact O-N 3.04Å |
| 186 | V | 97.7 | Very high | 96.5 | Very high | 28 Ų | 28 | 50.1 Ų | 50.1 | 17% | 0.17 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 177.3 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | L170 G182 E183 E184 L188 A189 Q190 L212 L215 | L170-V186 HydrophobicContact CD1-CG2 3.94Å; L170-V186 HydrophobicContact CD2-CG2 3.62Å; L170-V186 HydrophobicContact CG-CG2 4.46Å; G182-V186 WeakPolarHBondContact O-CG2 3.48Å; G182-V186 PolarHBondContact O-N 3.05Å; E183-V186 PolarHBondContact O-N 3.2Å; E184-V186 VanDerWaalsContact C-N 3.35Å; E184-V186 PolarHBondContact O-N 2.92Å; V186-L188 VanDerWaalsContact C-N 3.3Å; V186-L188 PolarHBondContact O-N 3.32Å; V186-A189 PolarHBondContact O-N 3Å; V186-Q190 PolarHBondContact O-N 3.06Å; V186-L212 HydrophobicContact CG1-CD1 4.03Å; V186-L212 HydrophobicContact CG1-CD2 4.28Å; V186-L212 HydrophobicContact CG2-CD1 3.92Å; V186-L215 HydrophobicContact CG2-CD2 4.02Å |
| 187 | K | 97.7 | Very high | 96.4 | Very high | 153 Ų | 153 | 52.5 Ų | 52.5 | 67% | 0.665 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.7 | -42.4 | 176.4 | -69.1 | 171.5 | -175.3 | 173.5 | 0 | 111.5 | E183 E184 Q190 L191 | E183-K187 WeakPolarHBondContact O-CG 3.5Å; E183-K187 PolarHBondContact O-N 3.04Å; E183-K187 VanDerWaalsContact O-N 3.14Å; E184-K187 PolarHBondContact O-N 3.49Å; K187-Q190 PolarHBondContact O-N 2.65Å; K187-L191 PolarHBondContact O-N 3.45Å |
| 188 | L | 97.3 | Very high | 96.3 | Very high | 53 Ų | 53 | 59.9 Ų | 59.9 | 28% | 0.277 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 177.4 | -173.7 | 61.5 | 0 | 0 | 0 | 112.3 | L147 E184 T185 V186 Q190 L191 Y192 | L147-L188 HydrophobicContact CD1-CD2 4.31Å; L147-L188 HydrophobicContact CD2-CD2 3.69Å; E184-L188 PolarHBondContact O-N 3.21Å; T185-L188 PolarHBondContact O-N 3.31Å; V186-L188 VanDerWaalsContact C-N 3.3Å; V186-L188 PolarHBondContact O-N 3.32Å; L188-Q190 VanDerWaalsContact C-N 3.33Å; L188-Q190 PolarHBondContact O-N 2.89Å; L188-L191 HydrophobicContact CD1-CD2 4.17Å; L188-L191 WeakPolarHBondContact O-CB 3.34Å; L188-L191 PolarHBondContact O-N 2.97Å; L188-Y192 HydrophobicContact CD1-CD2 4.14Å; L188-Y192 HydrophobicContact CD1-CE2 3.66Å; L188-Y192 HydrophobicContact CG-CD2 4.18Å; L188-Y192 HydrophobicContact CG-CE2 3.94Å; L188-Y192 WeakPolarHBondContact O-CD2 3.39Å; L188-Y192 PolarHBondContact O-N 3.18Å |
| 189 | A | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | C166 T185 V186 L191 Y192 M193 L208 | C166-A189 HydrophobicContact CB-CB 3.68Å; T185-A189 WeakPolarHBondContact O-CB 3.32Å; T185-A189 PolarHBondContact O-N 3.04Å; V186-A189 PolarHBondContact O-N 3Å; A189-L191 VanDerWaalsContact C-N 3.32Å; A189-L191 PolarHBondContact O-N 3.44Å; A189-Y192 PolarHBondContact O-N 2.91Å; A189-M193 WeakPolarHBondContact O-CB 3.5Å; A189-M193 VanDerWaalsContact O-CG 3.25Å; A189-M193 WeakPolarHBondContact O-CG 3.46Å; A189-M193 PolarHBondContact O-N 2.97Å; A189-L208 HydrophobicContact CB-CD1 3.67Å; A189-L208 HydrophobicContact CB-CD2 3.94Å; A189-L208 HydrophobicContact CB-CG 4.49Å |
| 190 | Q | 96.2 | Very high | 96.2 | Very high | 71 Ų | 71 | 63.7 Ų | 63.7 | 33% | 0.332 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 178.1 | -170.8 | 61 | 45.2 | 0 | 0 | 111.8 | V186 K187 L188 Y192 M193 D194 | V186-Q190 PolarHBondContact O-N 3.06Å; K187-Q190 PolarHBondContact O-N 2.65Å; L188-Q190 VanDerWaalsContact C-N 3.33Å; L188-Q190 PolarHBondContact O-N 2.89Å; Q190-Y192 PolarHBondContact O-N 3.44Å; Q190-M193 WeakPolarHBondContact O-CB 3.38Å; Q190-M193 PolarHBondContact O-N 3.05Å; Q190-D194 PolarHBondContact NE2-OD1 3.29Å; Q190-D194 WeakPolarHBondContact O-CB 3.12Å; Q190-D194 VanDerWaalsContact O-CG 3.23Å; Q190-D194 PolarHBondContact O-N 3Å |
| 191 | L | 96 | Very high | 96.1 | Very high | 107 Ų | 107 | 61.2 Ų | 61.2 | 56% | 0.56 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -56.5 | -47.5 | 175.8 | 178 | 68.3 | 0 | 0 | 0 | 112.2 | K187 L188 A189 K195 | K187-L191 PolarHBondContact O-N 3.45Å; L188-L191 HydrophobicContact CD1-CD2 4.17Å; L188-L191 WeakPolarHBondContact O-CB 3.34Å; L188-L191 PolarHBondContact O-N 2.97Å; A189-L191 VanDerWaalsContact C-N 3.32Å; A189-L191 PolarHBondContact O-N 3.44Å; L191-K195 WeakPolarHBondContact O-CB 3.42Å; L191-K195 PolarHBondContact O-N 2.91Å |
| 192 | Y | 96 | Very high | 95.6 | Very high | 29 Ų | 29 | 68.3 Ų | 68.3 | 11% | 0.114 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.5 | -34.6 | 178.4 | -76 | -71.1 | 0 | 0 | 0 | 112.6 | T151 W159 A162 L188 A189 Q190 K195 L196 | T151-Y192 VanDerWaalsContact CG2-OH 3.27Å; T151-Y192 WeakPolarHBondContact CG2-OH 3.31Å; W159-Y192 HydrophobicContact CB-CD1 4.08Å; W159-Y192 AromaticContact CD1-CD1 4Å; W159-Y192 AromaticContact CD1-CE1 4Å; W159-Y192 HydrophobicContact CG-CD1 4.21Å; A162-Y192 HydrophobicContact CB-CD1 3.9Å; A162-Y192 HydrophobicContact CB-CD2 3.65Å; A162-Y192 HydrophobicContact CB-CE1 3.86Å; A162-Y192 HydrophobicContact CB-CE2 3.6Å; A162-Y192 HydrophobicContact CB-CG 3.81Å; L188-Y192 HydrophobicContact CD1-CD2 4.14Å; L188-Y192 HydrophobicContact CD1-CE2 3.66Å; L188-Y192 HydrophobicContact CG-CD2 4.18Å; L188-Y192 HydrophobicContact CG-CE2 3.94Å; L188-Y192 WeakPolarHBondContact O-CD2 3.39Å; L188-Y192 PolarHBondContact O-N 3.18Å; A189-Y192 PolarHBondContact O-N 2.91Å; Q190-Y192 PolarHBondContact O-N 3.44Å; Y192-K195 WeakPolarHBondContact O-CB 3.18Å; Y192-K195 PolarHBondContact O-N 3.48Å; Y192-L196 WeakPolarHBondContact O-CG 3.32Å; Y192-L196 PolarHBondContact O-N 3.34Å |
| 193 | M | 95.3 | Very high | 95.2 | Very high | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.059 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 172.8 | -73.5 | -63 | -58.5 | 0 | 0 | 111.8 | V163 A189 Q190 K195 L196 A197 A203 K205 L208 | V163-M193 HydrophobicContact CB-SD 4.47Å; V163-M193 HydrophobicContact CG1-CG 4.31Å; V163-M193 HydrophobicContact CG1-SD 3.78Å; V163-M193 HydrophobicContact CG2-CG 4.04Å; V163-M193 HydrophobicContact CG2-SD 3.86Å; A189-M193 WeakPolarHBondContact O-CB 3.5Å; A189-M193 VanDerWaalsContact O-CG 3.25Å; A189-M193 WeakPolarHBondContact O-CG 3.46Å; A189-M193 PolarHBondContact O-N 2.97Å; Q190-M193 WeakPolarHBondContact O-CB 3.38Å; Q190-M193 PolarHBondContact O-N 3.05Å; M193-K195 VanDerWaalsContact C-N 3.27Å; M193-K195 PolarHBondContact O-N 2.98Å; M193-L196 PolarHBondContact O-N 2.99Å; M193-A197 WeakPolarHBondContact O-CB 3.16Å; M193-A197 PolarHBondContact O-N 3.41Å; M193-A203 HydrophobicContact CE-CB 3.91Å; M193-A203 HydrophobicContact SD-CB 3.77Å; M193-K205 HydrophobicContact CE-CD 3.76Å; M193-K205 VanDerWaalsContact CE-CE 3.48Å; M193-K205 HydrophobicContact CE-CG 3.55Å; M193-L208 HydrophobicContact CG-CD2 4.17Å |
| 194 | D | 94.8 | Very high | 94.9 | Very high | 69 Ų | 69 | 68.9 Ų | 68.9 | 37% | 0.369 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 175.5 | -68.8 | -16 | 0 | 0 | 0 | 111 | Q190 A197 K198 | Q190-D194 PolarHBondContact NE2-OD1 3.29Å; Q190-D194 WeakPolarHBondContact O-CB 3.12Å; Q190-D194 VanDerWaalsContact O-CG 3.23Å; Q190-D194 PolarHBondContact O-N 3Å; D194-A197 PolarHBondContact O-N 2.84Å; D194-K198 WeakPolarHBondContact O-CB 3.32Å; D194-K198 VanDerWaalsContact O-CG 3.24Å; D194-K198 WeakPolarHBondContact O-CG 3.33Å; D194-K198 PolarHBondContact O-N 3.31Å |
| 195 | K | 94.7 | Very high | 94.8 | Very high | 60 Ų | 60 | 66.8 Ų | 66.8 | 26% | 0.261 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 175.9 | -165.6 | 169.2 | -166.4 | 172.7 | 0 | 111.8 | D154 W159 L191 Y192 M193 K198 H199 | D154-K195 WeakPolarHBondContact OD1-CE 3.33Å; D154-K195 IonicContact OD1-NZ 2.58Å; D154-K195 PolarHBondContact OD1-NZ 3.3Å; D154-K195 IonicContact OD2-NZ 3.59Å; D154-K195 PolarHBondContact OD2-NZ 3.5Å; W159-K195 HydrophobicContact CD2-CD 3.83Å; W159-K195 HydrophobicContact CD2-CG 3.97Å; W159-K195 VanDerWaalsContact CE2-CE 3.42Å; W159-K195 HydrophobicContact CE3-CD 4.3Å; W159-K195 HydrophobicContact CE3-CG 3.94Å; W159-K195 HydrophobicContact CG-CD 4.24Å; W159-K195 HydrophobicContact CH2-CD 4.39Å; W159-K195 HydrophobicContact CH2-CG 4.23Å; W159-K195 HydrophobicContact CZ2-CD 3.92Å; W159-K195 HydrophobicContact CZ2-CG 4.26Å; W159-K195 HydrophobicContact CZ3-CG 4.06Å; L191-K195 WeakPolarHBondContact O-CB 3.42Å; L191-K195 PolarHBondContact O-N 2.91Å; Y192-K195 WeakPolarHBondContact O-CB 3.18Å; Y192-K195 PolarHBondContact O-N 3.48Å; M193-K195 VanDerWaalsContact C-N 3.27Å; M193-K195 PolarHBondContact O-N 2.98Å; K195-K198 PolarHBondContact O-N 3.05Å; K195-H199 PolarHBondContact O-N 3.12Å; K195-H199 PolarHBondContact O-ND1 3.43Å |
| 196 | L | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 174.4 | -75.3 | 165.8 | 0 | 0 | 0 | 111.2 | V156 W159 Y160 V163 Y192 M193 K198 H199 G200 H201 A203 | V156-L196 HydrophobicContact CG1-CD2 4.04Å; W159-L196 HydrophobicContact CB-CD2 3.95Å; W159-L196 HydrophobicContact CB-CG 4.02Å; W159-L196 HydrophobicContact CE3-CD2 4.07Å; W159-L196 HydrophobicContact CE3-CG 4.49Å; Y160-L196 HydrophobicContact CD1-CD1 3.96Å; Y160-L196 HydrophobicContact CD1-CD2 4.43Å; Y160-L196 HydrophobicContact CD2-CD2 3.69Å; Y160-L196 HydrophobicContact CE1-CD1 4.1Å; Y160-L196 HydrophobicContact CE1-CD2 4.35Å; Y160-L196 HydrophobicContact CE2-CD2 3.57Å; Y160-L196 HydrophobicContact CG-CD1 4.23Å; Y160-L196 HydrophobicContact CG-CD2 4.12Å; V163-L196 HydrophobicContact CG2-CD1 4.05Å; Y192-L196 WeakPolarHBondContact O-CG 3.32Å; Y192-L196 PolarHBondContact O-N 3.34Å; M193-L196 PolarHBondContact O-N 2.99Å; L196-K198 VanDerWaalsContact C-N 3.35Å; L196-K198 PolarHBondContact O-N 3.15Å; L196-H199 CarbonylContact O-C 3.6Å; L196-H199 PolarHBondContact O-N 3.48Å; L196-G200 PolarHBondContact O-N 2.99Å; L196-H201 CarbonylContact C-O 3.42Å; L196-H201 VanDerWaalsContact C-O 3.29Å; L196-H201 HydrophobicContact CB-CB 4.16Å; L196-H201 HydrophobicContact CD2-CB 3.94Å; L196-H201 WeakPolarHBondContact O-CB 3.35Å; L196-H201 PolarHBondContact O-N 3.49Å; L196-A203 HydrophobicContact CD1-CB 4.31Å |
| 197 | A | 94.8 | Very high | 94.6 | Very high | 64 Ų | 64 | 66.9 Ų | 66.9 | 53% | 0.529 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M193 D194 H199 G200 H201 | M193-A197 WeakPolarHBondContact O-CB 3.16Å; M193-A197 PolarHBondContact O-N 3.41Å; D194-A197 PolarHBondContact O-N 2.84Å; A197-H199 PolarHBondContact O-N 3.36Å; A197-G200 PolarHBondContact O-N 3.35Å; A197-H201 WeakPolarHBondContact CA-O 3.44Å; A197-H201 PolarHBondContact N-O 3.37Å |
| 198 | K | 95.4 | Very high | 94.6 | Very high | 175 Ų | 175 | 60.1 Ų | 60.1 | 76% | 0.761 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.7 | -26.6 | 175.5 | -77.3 | 172.2 | -176.3 | 175.8 | 0 | 113.5 | D194 K195 L196 | D194-K198 WeakPolarHBondContact O-CB 3.32Å; D194-K198 VanDerWaalsContact O-CG 3.24Å; D194-K198 WeakPolarHBondContact O-CG 3.33Å; D194-K198 PolarHBondContact O-N 3.31Å; K195-K198 PolarHBondContact O-N 3.05Å; L196-K198 VanDerWaalsContact C-N 3.35Å; L196-K198 PolarHBondContact O-N 3.15Å |
| 199 | H | 95.3 | Very high | 94.7 | Very high | 105 Ų | 105 | 58.6 Ų | 58.6 | 49% | 0.486 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 15.7 | 177.9 | -65.1 | 80 | 0 | 0 | 0 | 112.7 | W159 K195 L196 A197 H201 | W159-H199 AromaticContact CH2-CE1 3.71Å; W159-H199 AromaticContact CH2-ND1 3.84Å; W159-H199 AromaticContact CH2-NE2 3.82Å; W159-H199 HydrophobicContact CZ3-CB 4.13Å; W159-H199 AromaticContact CZ3-CE1 3.93Å; W159-H199 AromaticContact CZ3-CG 3.69Å; W159-H199 AromaticContact CZ3-ND1 3.56Å; K195-H199 PolarHBondContact O-N 3.12Å; K195-H199 PolarHBondContact O-ND1 3.43Å; L196-H199 CarbonylContact O-C 3.6Å; L196-H199 PolarHBondContact O-N 3.48Å; A197-H199 PolarHBondContact O-N 3.36Å; H199-H201 VanDerWaalsContact C-N 3.31Å; H199-H201 PolarHBondContact O-CD2 2.8Å; H199-H201 PolarHBondContact O-N 2.94Å |
| 200 | G | 94.5 | Very high | 94.7 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 72% | 0.722 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 14.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L196 A197 | L196-G200 PolarHBondContact O-N 2.99Å; A197-G200 PolarHBondContact O-N 3.35Å |
| 201 | H | 93.6 | Very high | 94.8 | Very high | 68 Ų | 68 | 56.5 Ų | 56.5 | 32% | 0.315 | 30% | 0.304 | S | S | . | . | trans | -100.6 | 133.9 | 178.7 | -67.1 | -66 | 0 | 0 | 0 | 111.2 | V156 Y160 L196 A197 H199 | V156-H201 WeakPolarHBondContact CG2-NE2 3.49Å; Y160-H201 HydrophobicContact CE2-CB 4.31Å; Y160-H201 WeakPolarHBondContact OH-CB 3.07Å; L196-H201 CarbonylContact C-O 3.42Å; L196-H201 VanDerWaalsContact C-O 3.29Å; L196-H201 HydrophobicContact CB-CB 4.16Å; L196-H201 HydrophobicContact CD2-CB 3.94Å; L196-H201 WeakPolarHBondContact O-CB 3.35Å; L196-H201 PolarHBondContact O-N 3.49Å; A197-H201 WeakPolarHBondContact CA-O 3.44Å; A197-H201 PolarHBondContact N-O 3.37Å; H199-H201 VanDerWaalsContact C-N 3.31Å; H199-H201 PolarHBondContact O-CD2 2.8Å; H199-H201 PolarHBondContact O-N 2.94Å | ||
| 202 | Q | 87 | Confident | 94.9 | Very high | 184 Ų | 184 | 52.1 Ų | 52.1 | 86% | 0.86 | 28% | 0.281 | S | S | * | . | trans | -112.1 | 122.3 | 176.9 | -66.2 | -171.8 | -11.7 | 0 | 0 | 110.2 | Y160 | Y160-Q202 PolarHBondContact OH-O 3.37Š| ||
| 203 | A | 87.6 | Confident | 95 | Very high | 16 Ų | 16 | 50.8 Ų | 50.8 | 13% | 0.132 | 28% | 0.276 | C | S | . | . | trans | -102.2 | 138.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y160 M193 L196 K205 | Y160-A203 HydrophobicContact CD1-CB 4.06Å; Y160-A203 HydrophobicContact CE1-CB 3.59Å; M193-A203 HydrophobicContact CE-CB 3.91Å; M193-A203 HydrophobicContact SD-CB 3.77Å; L196-A203 HydrophobicContact CD1-CB 4.31Å; A203-K205 WeakPolarHBondContact O-CG 3.28Å; A203-K205 PolarHBondContact O-N 3.12Å | ||
| 204 | N | 90.8 | Very high | 95.1 | Very high | 68 Ų | 68 | 50.8 Ų | 50.8 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | trans | -62.7 | 133.7 | 171.2 | -176.5 | -73.2 | 0 | 0 | 0 | 109.8 | A206 E235 | N204-A206 WeakPolarHBondContact OD1-CB 3.18Å; N204-A206 PolarHBondContact OD1-N 2.89Å; N204-E235 PolarHBondContact ND2-O 2.81Å | ||
| 205 | K | 95.1 | Very high | 95.2 | Very high | 68 Ų | 68 | 47.7 Ų | 47.7 | 30% | 0.296 | 26% | 0.262 | S | S | . | . | trans | -106.2 | -0.7 | -171.3 | -49.9 | -178.1 | -166.4 | 159.8 | 0 | 113.8 | M193 A203 A207 L208 Y209 E235 | M193-K205 HydrophobicContact CE-CD 3.76Å; M193-K205 VanDerWaalsContact CE-CE 3.48Å; M193-K205 HydrophobicContact CE-CG 3.55Å; A203-K205 WeakPolarHBondContact O-CG 3.28Å; A203-K205 PolarHBondContact O-N 3.12Å; K205-A207 VanDerWaalsContact C-N 3.35Å; K205-A207 PolarHBondContact O-N 2.87Å; K205-L208 PolarHBondContact O-N 3.44Å; K205-L208 VanDerWaalsContact O-N 3.11Å; K205-Y209 HydrophobicContact CB-CD1 4.21Å; K205-Y209 HydrophobicContact CB-CD2 3.78Å; K205-Y209 HydrophobicContact CB-CE1 3.99Å; K205-Y209 HydrophobicContact CB-CE2 3.54Å; K205-Y209 HydrophobicContact CB-CG 4.13Å; K205-Y209 HydrophobicContact CD-CE1 4.09Å; K205-Y209 HydrophobicContact CD-CE2 3.75Å; K205-Y209 WeakPolarHBondContact CD-OH 3.47Å; K205-Y209 HydrophobicContact CG-CE2 4.3Å; K205-Y209 WeakPolarHBondContact O-CB 3.39Å; K205-Y209 PolarHBondContact O-N 2.99Å; K205-E235 HydrophobicContact CB-CG 4.01Å; K205-E235 PolarHBondContact N-OE2 3.16Å | ||
| 206 | A | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53.3 | -49.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N204 Y209 G210 E235 L240 V244 V248 | N204-A206 WeakPolarHBondContact OD1-CB 3.18Å; N204-A206 PolarHBondContact OD1-N 2.89Å; A206-Y209 PolarHBondContact O-N 3.33Å; A206-G210 PolarHBondContact O-N 3.32Å; A206-E235 HydrophobicContact CB-CB 3.7Å; A206-L240 HydrophobicContact CB-CD2 3.67Å; A206-V244 HydrophobicContact CB-CG1 4.33Å; A206-V248 HydrophobicContact CB-CG2 4.36Å; A206-V248 WeakPolarHBondContact O-CG2 3.42Å |
| 207 | A | 96.3 | Very high | 95.5 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V167 K205 G210 E211 V244 | V167-A207 HydrophobicContact CG1-CB 3.88Å; K205-A207 VanDerWaalsContact C-N 3.35Å; K205-A207 PolarHBondContact O-N 2.87Å; A207-G210 PolarHBondContact O-N 3.47Å; A207-E211 WeakPolarHBondContact O-CG 3.15Å; A207-E211 PolarHBondContact O-N 3.49Å; A207-V244 HydrophobicContact CB-CG1 3.75Å; A207-V244 HydrophobicContact CB-CG2 4.4Å |
| 208 | L | 97.3 | Very high | 95.5 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.8 | -45.4 | 178.5 | 177.8 | 60.7 | 0 | 0 | 0 | 111.4 | V167 L170 A189 M193 K205 E211 L212 | V167-L208 HydrophobicContact CG2-CB 3.86Å; V167-L208 HydrophobicContact CG2-CD1 4.11Å; L170-L208 HydrophobicContact CD2-CD1 4.35Å; A189-L208 HydrophobicContact CB-CD1 3.67Å; A189-L208 HydrophobicContact CB-CD2 3.94Å; A189-L208 HydrophobicContact CB-CG 4.49Å; M193-L208 HydrophobicContact CG-CD2 4.17Å; K205-L208 PolarHBondContact O-N 3.44Å; K205-L208 VanDerWaalsContact O-N 3.11Å; L208-E211 PolarHBondContact O-N 3.36Å; L208-L212 WeakPolarHBondContact O-CB 3.43Å; L208-L212 PolarHBondContact O-N 3.33Å |
| 209 | Y | 98.2 | Very high | 95.5 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 9% | 0.086 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69 | -35.3 | 179.1 | -66.2 | -11.8 | 0 | 0 | 0 | 111.9 | K205 A206 L212 C213 W228 E231 E235 | K205-Y209 HydrophobicContact CB-CD1 4.21Å; K205-Y209 HydrophobicContact CB-CD2 3.78Å; K205-Y209 HydrophobicContact CB-CE1 3.99Å; K205-Y209 HydrophobicContact CB-CE2 3.54Å; K205-Y209 HydrophobicContact CB-CG 4.13Å; K205-Y209 HydrophobicContact CD-CE1 4.09Å; K205-Y209 HydrophobicContact CD-CE2 3.75Å; K205-Y209 WeakPolarHBondContact CD-OH 3.47Å; K205-Y209 HydrophobicContact CG-CE2 4.3Å; K205-Y209 WeakPolarHBondContact O-CB 3.39Å; K205-Y209 PolarHBondContact O-N 2.99Å; A206-Y209 PolarHBondContact O-N 3.33Å; Y209-L212 PolarHBondContact O-N 3.05Å; Y209-C213 WeakPolarHBondContact O-CB 3.5Å; Y209-C213 PolarHBondContact O-N 3.44Å; Y209-W228 AromaticContact CD1-CE3 3.72Å; Y209-W228 HydrophobicContact CD1-CE3 3.72Å; Y209-W228 HydrophobicContact CD1-CH2 4.4Å; Y209-W228 AromaticContact CD1-CZ3 3.44Å; Y209-W228 HydrophobicContact CD1-CZ3 3.44Å; Y209-W228 VanDerWaalsContact CD1-CZ3 3.44Å; Y209-W228 HydrophobicContact CD2-CE3 4.3Å; Y209-W228 HydrophobicContact CD2-CZ3 4.17Å; Y209-W228 HydrophobicContact CE1-CE3 4.03Å; Y209-W228 AromaticContact CE1-CH2 3.96Å; Y209-W228 HydrophobicContact CE1-CH2 3.96Å; Y209-W228 AromaticContact CE1-CZ3 3.25Å; Y209-W228 HydrophobicContact CE1-CZ3 3.25Å; Y209-W228 HydrophobicContact CE2-CZ3 4.01Å; Y209-W228 AromaticContact CG-CE3 3.86Å; Y209-W228 HydrophobicContact CG-CE3 3.86Å; Y209-W228 AromaticContact CG-CZ3 3.9Å; Y209-W228 HydrophobicContact CG-CZ3 3.9Å; Y209-W228 AromaticContact CZ-CZ3 3.53Å; Y209-E231 HydrophobicContact CD2-CB 3.86Å; Y209-E231 HydrophobicContact CE2-CB 4.13Å; Y209-E235 HydrophobicContact CD2-CG 4.08Å; Y209-E235 HydrophobicContact CE2-CG 4.18Å |
| 210 | G | 97.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A206 A207 C213 A214 | A206-G210 PolarHBondContact O-N 3.32Å; A207-G210 PolarHBondContact O-N 3.47Å; G210-C213 WeakPolarHBondContact O-CB 3.16Å; G210-C213 PolarHBondContact O-N 3.03Å; G210-A214 PolarHBondContact O-N 3.27Å |
| 211 | E | 97.9 | Very high | 95.6 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 10% | 0.098 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.7 | -32.5 | 177 | -73.7 | -60.9 | 158.8 | 0 | 0 | 113.2 | V167 L170 H171 N174 A207 L208 A214 L215 | V167-E211 HydrophobicContact CG1-CG 4.27Å; L170-E211 HydrophobicContact CB-CB 4.3Å; L170-E211 HydrophobicContact CD2-CB 3.52Å; L170-E211 HydrophobicContact CG-CB 3.81Å; H171-E211 WeakPolarHBondContact CA-OE2 3.47Å; H171-E211 HydrophobicContact CB-CG 4.45Å; H171-E211 IonicContact CE1-OE1 2.68Å; H171-E211 IonicContact CG-OE1 3.4Å; H171-E211 IonicContact ND1-OE1 3.37Å; H171-E211 PolarHBondContact ND1-OE1 3.46Å; H171-E211 IonicContact ND1-OE2 2.82Å; N174-E211 PolarHBondContact ND2-O 2.85Å; N174-E211 PolarHBondContact ND2-OE2 3.42Å; A207-E211 WeakPolarHBondContact O-CG 3.15Å; A207-E211 PolarHBondContact O-N 3.49Å; L208-E211 PolarHBondContact O-N 3.36Å; E211-A214 PolarHBondContact O-N 3.28Å; E211-L215 PolarHBondContact O-N 3.34Å |
| 212 | L | 98.2 | Very high | 95.7 | Very high | 16 Ų | 16 | 32.4 Ų | 32.4 | 8% | 0.084 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.1 | -42.4 | 170.6 | 177.5 | 54.3 | 0 | 0 | 0 | 111.3 | V186 L208 Y209 A214 L215 L216 W228 | V186-L212 HydrophobicContact CG1-CD1 4.03Å; V186-L212 HydrophobicContact CG1-CD2 4.28Å; V186-L212 HydrophobicContact CG2-CD1 3.92Å; L208-L212 WeakPolarHBondContact O-CB 3.43Å; L208-L212 PolarHBondContact O-N 3.33Å; Y209-L212 PolarHBondContact O-N 3.05Å; L212-A214 VanDerWaalsContact C-N 3.32Å; L212-A214 PolarHBondContact O-N 2.71Å; L212-L215 HydrophobicContact CD1-CD2 4.49Å; L212-L215 PolarHBondContact O-N 3.15Å; L212-L216 HydrophobicContact CD1-CD1 3.87Å; L212-L216 HydrophobicContact CD1-CG 4.05Å; L212-L216 HydrophobicContact CG-CD1 3.96Å; L212-L216 WeakPolarHBondContact O-CB 3.29Å; L212-L216 WeakPolarHBondContact O-CG 3.44Å; L212-L216 PolarHBondContact O-N 3.4Å; L212-W228 HydrophobicContact CD2-CD2 3.46Å; L212-W228 VanDerWaalsContact CD2-CD2 3.46Å; L212-W228 HydrophobicContact CD2-CE3 3.92Å; L212-W228 HydrophobicContact CD2-CG 3.88Å; L212-W228 HydrophobicContact CD2-CH2 4.13Å; L212-W228 HydrophobicContact CD2-CZ2 3.69Å; L212-W228 HydrophobicContact CD2-CZ3 4.25Å; L212-W228 HydrophobicContact CG-CD2 4.15Å; L212-W228 HydrophobicContact CG-CG 4.04Å |
| 213 | C | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.6 | -45 | 172.9 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | Y209 G210 L215 L216 F217 A225 W228 C229 | Y209-C213 WeakPolarHBondContact O-CB 3.5Å; Y209-C213 PolarHBondContact O-N 3.44Å; G210-C213 WeakPolarHBondContact O-CB 3.16Å; G210-C213 PolarHBondContact O-N 3.03Å; C213-L215 PolarHBondContact O-N 3.34Å; C213-L216 PolarHBondContact O-N 3.45Å; C213-F217 VanDerWaalsContact O-CB 3.25Å; C213-F217 WeakPolarHBondContact O-CB 3.28Å; C213-F217 PolarHBondContact O-N 2.88Å; C213-A225 PolarHBondContact SG-O 3.11Å; C213-W228 HydrophobicContact CB-CB 4.35Å; C213-C229 HydrophobicContact CB-CB 4.16Å; C213-C229 WeakPolarHBondContact CB-SG 3.19Å; C213-C229 WeakPolarHBondContact SG-CB 3.26Å; C213-C229 CovalentContact SG-SG 2.05Å; C213-C229 PolarHBondContact SG-SG 3.2Å |
| 214 | A | 97.8 | Very high | 96.4 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 11% | 0.107 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G210 E211 L212 F217 A218 Q251 | G210-A214 PolarHBondContact O-N 3.27Å; E211-A214 PolarHBondContact O-N 3.28Å; L212-A214 VanDerWaalsContact C-N 3.32Å; L212-A214 PolarHBondContact O-N 2.71Å; A214-F217 PolarHBondContact O-N 3.37Å; A214-A218 WeakPolarHBondContact O-CB 3.35Å; A214-A218 PolarHBondContact O-N 3.41Å; A214-Q251 HydrophobicContact CB-CG 4.21Å |
| 215 | L | 98.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.2 | -50.9 | 175.7 | 172 | 62.1 | 0 | 0 | 0 | 111.4 | L170 N174 Y179 E183 V186 E211 L212 C213 F217 A218 K219 | L170-L215 HydrophobicContact CD1-CD2 4.08Å; N174-L215 WeakPolarHBondContact OD1-CB 3.41Å; N174-L215 WeakPolarHBondContact OD1-CD1 3.26Å; Y179-L215 HydrophobicContact CD1-CD1 3.86Å; Y179-L215 HydrophobicContact CG-CD1 4.23Å; E183-L215 HydrophobicContact CG-CD2 3.96Å; V186-L215 HydrophobicContact CG2-CD2 4.02Å; E211-L215 PolarHBondContact O-N 3.34Å; L212-L215 HydrophobicContact CD1-CD2 4.49Å; L212-L215 PolarHBondContact O-N 3.15Å; C213-L215 PolarHBondContact O-N 3.34Å; L215-F217 VanDerWaalsContact C-N 3.32Å; L215-F217 PolarHBondContact O-N 3.2Å; L215-A218 PolarHBondContact O-N 3.39Å; L215-K219 HydrophobicContact CD1-CD 4.13Å; L215-K219 HydrophobicContact CD1-CG 4.34Å; L215-K219 WeakPolarHBondContact O-CG 3.37Å; L215-K219 PolarHBondContact O-N 2.05Å |
| 216 | L | 98 | Very high | 96.8 | Very high | 11 Ų | 11 | 25.1 Ų | 25.1 | 6% | 0.058 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.6 | -39.1 | -178.7 | -70.3 | 166.8 | 0 | 0 | 0 | 111.4 | L212 C213 K219 S220 H221 E224 A225 W228 | L212-L216 HydrophobicContact CD1-CD1 3.87Å; L212-L216 HydrophobicContact CD1-CG 4.05Å; L212-L216 HydrophobicContact CG-CD1 3.96Å; L212-L216 WeakPolarHBondContact O-CB 3.29Å; L212-L216 WeakPolarHBondContact O-CG 3.44Å; L212-L216 PolarHBondContact O-N 3.4Å; C213-L216 PolarHBondContact O-N 3.45Å; L216-K219 CarbonylContact O-C 3.55Å; L216-K219 PolarHBondContact O-N 3.33Å; L216-S220 PolarHBondContact O-N 2.88Å; L216-S220 VanDerWaalsContact O-N 3.15Å; L216-H221 HydrophobicContact CB-CB 4.27Å; L216-H221 HydrophobicContact CD2-CB 4.02Å; L216-H221 PolarHBondContact O-N 2.93Å; L216-E224 HydrophobicContact CD1-CB 3.94Å; L216-E224 HydrophobicContact CD2-CB 4.32Å; L216-A225 HydrophobicContact CB-CB 3.8Å; L216-W228 HydrophobicContact CD1-CG 4.14Å |
| 217 | F | 97.3 | Very high | 96.8 | Very high | 38 Ų | 38 | 31.9 Ų | 31.9 | 17% | 0.167 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.2 | -48.9 | 173.4 | -176 | -84.4 | 0 | 0 | 0 | 111.2 | C213 A214 L215 K219 S220 Y222 A225 K254 V258 F296 | C213-F217 VanDerWaalsContact O-CB 3.25Å; C213-F217 WeakPolarHBondContact O-CB 3.28Å; C213-F217 PolarHBondContact O-N 2.88Å; A214-F217 PolarHBondContact O-N 3.37Å; L215-F217 VanDerWaalsContact C-N 3.32Å; L215-F217 PolarHBondContact O-N 3.2Å; F217-K219 PolarHBondContact O-N 3.34Å; F217-S220 WeakPolarHBondContact O-CA 3.3Å; F217-S220 PolarHBondContact O-N 3.23Å; F217-Y222 HydrophobicContact CD2-CD1 4.09Å; F217-Y222 HydrophobicContact CD2-CE1 4.24Å; F217-Y222 HydrophobicContact CE2-CD1 4.31Å; F217-Y222 HydrophobicContact CE2-CE1 4.24Å; F217-A225 HydrophobicContact CB-CB 4.17Å; F217-K254 HydrophobicContact CD2-CB 4.4Å; F217-K254 HydrophobicContact CE1-CD 4.49Å; F217-K254 HydrophobicContact CE2-CB 3.91Å; F217-K254 HydrophobicContact CZ-CB 4.1Å; F217-K254 HydrophobicContact CZ-CD 4.48Å; F217-V258 HydrophobicContact CD2-CG2 4.34Å; F217-V258 HydrophobicContact CE2-CB 4.38Å; F217-V258 HydrophobicContact CE2-CG1 3.53Å; F217-V258 HydrophobicContact CE2-CG2 3.89Å; F217-V258 HydrophobicContact CZ-CG1 3.92Å; F217-F296 HydrophobicContact CZ-CZ 4.26Å |
| 218 | A | 95.9 | Very high | 96.9 | Very high | 25 Ų | 25 | 33.9 Ų | 33.9 | 21% | 0.207 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.4 | -33 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y179 A214 L215 S220 F421 | Y179-A218 HydrophobicContact CD1-CB 4.26Å; Y179-A218 HydrophobicContact CE1-CB 3.58Å; A214-A218 WeakPolarHBondContact O-CB 3.35Å; A214-A218 PolarHBondContact O-N 3.41Å; L215-A218 PolarHBondContact O-N 3.39Å; A218-S220 VanDerWaalsContact C-N 3.25Å; A218-S220 PolarHBondContact O-N 3.19Å; A218-F421 VanDerWaalsContact O-CE1 3.31Å; A218-F421 WeakPolarHBondContact O-CE1 3.49Å |
| 219 | K | 96 | Very high | 96.8 | Very high | 36 Ų | 36 | 33.5 Ų | 33.5 | 16% | 0.157 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -0.6 | 173.2 | -67.4 | -171.3 | 67.5 | 169.6 | 0 | 114.1 | Y179 E183 L215 L216 F217 H221 N425 | Y179-K219 HydrophobicContact CG-CG 4.32Å; E183-K219 IonicContact OE1-NZ 3.47Å; E183-K219 PolarHBondContact OE1-NZ 2.98Å; E183-K219 IonicContact OE2-NZ 3.07Å; E183-K219 PolarHBondContact OE2-NZ 3.07Å; L215-K219 HydrophobicContact CD1-CD 4.13Å; L215-K219 HydrophobicContact CD1-CG 4.34Å; L215-K219 WeakPolarHBondContact O-CG 3.37Å; L215-K219 PolarHBondContact O-N 2.05Å; L216-K219 CarbonylContact O-C 3.55Å; L216-K219 PolarHBondContact O-N 3.33Å; F217-K219 PolarHBondContact O-N 3.34Å; K219-H221 VanDerWaalsContact C-N 3.28Å; K219-H221 PolarHBondContact O-CD2 2.97Å; K219-H221 PolarHBondContact O-N 3.39Å; K219-N425 PolarHBondContact O-ND2 3.01Å |
| 220 | S | 95.5 | Very high | 96.7 | Very high | 11 Ų | 11 | 33.6 Ų | 33.6 | 8% | 0.077 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 22.9 | -175.3 | -49.4 | 0 | 0 | 0 | 0 | 115.3 | L216 F217 A218 Y222 Q427 | L216-S220 PolarHBondContact O-N 2.88Å; L216-S220 VanDerWaalsContact O-N 3.15Å; F217-S220 WeakPolarHBondContact O-CA 3.3Å; F217-S220 PolarHBondContact O-N 3.23Å; A218-S220 VanDerWaalsContact C-N 3.25Å; A218-S220 PolarHBondContact O-N 3.19Å; S220-Y222 PolarHBondContact O-N 3.5Å; S220-Y222 VanDerWaalsContact O-N 3.12Å; S220-Y222 PolarHBondContact OG-OH 3.35Å; S220-Q427 PolarHBondContact OG-NE2 2.89Å |
| 221 | H | 95.8 | Very high | 96.7 | Very high | 71 Ų | 71 | 36.9 Ų | 36.9 | 33% | 0.329 | 17% | 0.172 | S | C | . | . | trans | -86 | 63.3 | 172.1 | -65.9 | -164 | 0 | 0 | 0 | 109.6 | L216 K219 D223 E224 A225 | L216-H221 HydrophobicContact CB-CB 4.27Å; L216-H221 HydrophobicContact CD2-CB 4.02Å; L216-H221 PolarHBondContact O-N 2.93Å; K219-H221 VanDerWaalsContact C-N 3.28Å; K219-H221 PolarHBondContact O-CD2 2.97Å; K219-H221 PolarHBondContact O-N 3.39Å; H221-D223 PolarHBondContact O-N 2.89Å; H221-E224 HydrophobicContact CB-CB 4.41Å; H221-E224 IonicContact ND1-OE1 3.33Å; H221-E224 PolarHBondContact O-N 3.23Å; H221-A225 WeakPolarHBondContact O-CB 3.36Å; H221-A225 PolarHBondContact O-N 3.3Å | ||
| 222 | Y | 94.6 | Very high | 96.6 | Very high | 30 Ų | 30 | 35.9 Ų | 35.9 | 12% | 0.118 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -35.4 | -164 | -57.7 | -52.3 | 0 | 0 | 0 | 114.5 | F217 S220 A225 Y226 V258 V426 Q427 L463 | F217-Y222 HydrophobicContact CD2-CD1 4.09Å; F217-Y222 HydrophobicContact CD2-CE1 4.24Å; F217-Y222 HydrophobicContact CE2-CD1 4.31Å; F217-Y222 HydrophobicContact CE2-CE1 4.24Å; S220-Y222 PolarHBondContact O-N 3.5Å; S220-Y222 VanDerWaalsContact O-N 3.12Å; S220-Y222 PolarHBondContact OG-OH 3.35Å; Y222-A225 PolarHBondContact O-N 3Å; Y222-Y226 WeakPolarHBondContact O-CB 3.35Å; Y222-Y226 PolarHBondContact O-N 2.99Å; Y222-V258 HydrophobicContact CD1-CB 4.25Å; Y222-V258 HydrophobicContact CD1-CG1 4.3Å; Y222-V258 HydrophobicContact CD1-CG2 3.84Å; Y222-V258 HydrophobicContact CE1-CG1 4.23Å; Y222-V258 HydrophobicContact CG-CB 4.29Å; Y222-V258 HydrophobicContact CG-CG2 3.98Å; Y222-V426 HydrophobicContact CE2-CB 4.47Å; Y222-V426 HydrophobicContact CE2-CG1 4.35Å; Y222-V426 HydrophobicContact CE2-CG2 4.18Å; Y222-Q427 PolarHBondContact OH-NE2 3.45Å; Y222-L463 HydrophobicContact CD2-CD2 3.82Å; Y222-L463 HydrophobicContact CE2-CD2 4.14Å |
| 223 | D | 94.2 | Very high | 96.5 | Very high | 83 Ų | 83 | 35.1 Ų | 35.1 | 44% | 0.444 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -67.8 | -38.8 | 177.7 | -72.2 | -22.3 | 0 | 0 | 0 | 112.6 | H221 R227 K259 | H221-D223 PolarHBondContact O-N 2.89Å; D223-R227 WeakPolarHBondContact O-CG 3.29Å; D223-R227 PolarHBondContact O-N 3.45Å; D223-R227 VanDerWaalsContact O-N 3.14Å; D223-R227 PolarHBondContact O-NE 3.28Å; D223-K259 WeakPolarHBondContact OD1-CE 3.12Å; D223-K259 IonicContact OD1-NZ 2.75Å; D223-K259 PolarHBondContact OD1-NZ 2.94Å |
| 224 | E | 96.6 | Very high | 96.4 | Very high | 78 Ų | 78 | 40.4 Ų | 40.4 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -71.4 | -41.7 | 175.5 | -66.7 | 178.5 | -129.7 | 0 | 0 | 110.7 | L216 H221 Y226 R227 W228 | L216-E224 HydrophobicContact CD1-CB 3.94Å; L216-E224 HydrophobicContact CD2-CB 4.32Å; H221-E224 HydrophobicContact CB-CB 4.41Å; H221-E224 IonicContact ND1-OE1 3.33Å; H221-E224 PolarHBondContact O-N 3.23Å; E224-Y226 VanDerWaalsContact C-N 3.34Å; E224-Y226 PolarHBondContact O-N 3.28Å; E224-R227 PolarHBondContact O-N 3.15Å; E224-W228 VanDerWaalsContact O-CD1 3.28Å; E224-W228 PolarHBondContact O-N 3.45Å |
| 225 | A | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.3 | -50 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | C213 L216 F217 H221 Y222 R227 W228 C229 | C213-A225 PolarHBondContact SG-O 3.11Å; L216-A225 HydrophobicContact CB-CB 3.8Å; F217-A225 HydrophobicContact CB-CB 4.17Å; H221-A225 WeakPolarHBondContact O-CB 3.36Å; H221-A225 PolarHBondContact O-N 3.3Å; Y222-A225 PolarHBondContact O-N 3Å; A225-R227 PolarHBondContact O-N 3.31Å; A225-W228 PolarHBondContact O-N 2.99Å; A225-C229 WeakPolarHBondContact O-CB 3.42Å; A225-C229 PolarHBondContact O-N 3.5Å |
| 226 | Y | 96.4 | Very high | 96.2 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 9% | 0.086 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58 | -45.2 | 178 | -174.7 | -108.9 | 0 | 0 | 0 | 112.7 | Y222 E224 W228 C229 I230 A255 K259 E261 Q578 | Y222-Y226 WeakPolarHBondContact O-CB 3.35Å; Y222-Y226 PolarHBondContact O-N 2.99Å; E224-Y226 VanDerWaalsContact C-N 3.34Å; E224-Y226 PolarHBondContact O-N 3.28Å; Y226-W228 PolarHBondContact O-N 3.31Å; Y226-C229 PolarHBondContact O-N 3.29Å; Y226-I230 HydrophobicContact CD1-CD1 4.05Å; Y226-I230 HydrophobicContact CE1-CD1 3.64Å; Y226-I230 PolarHBondContact O-N 3.33Å; Y226-I230 VanDerWaalsContact O-N 3.08Å; Y226-A255 HydrophobicContact CD2-CB 4.07Å; Y226-K259 HydrophobicContact CD1-CG 4.35Å; Y226-K259 HydrophobicContact CD2-CB 4.46Å; Y226-K259 HydrophobicContact CD2-CG 3.85Å; Y226-K259 HydrophobicContact CE2-CG 4.47Å; Y226-K259 HydrophobicContact CG-CG 3.79Å; Y226-E261 VanDerWaalsContact CZ-OE1 3.27Å; Y226-E261 PolarHBondContact OH-OE1 2.92Å; Y226-E261 PolarHBondContact OH-OE2 3.33Å; Y226-Q578 PolarHBondContact OH-NE2 3.25Å; Y226-Q578 PolarHBondContact OH-OE1 2.89Å |
| 227 | R | 97.3 | Very high | 95.9 | Very high | 142 Ų | 142 | 46.4 Ų | 46.4 | 54% | 0.536 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.6 | -47.8 | 175 | -78.9 | 179.5 | -98.2 | 136 | -7.8 | 112.4 | D223 E224 A225 C229 I230 E231 | D223-R227 WeakPolarHBondContact O-CG 3.29Å; D223-R227 PolarHBondContact O-N 3.45Å; D223-R227 VanDerWaalsContact O-N 3.14Å; D223-R227 PolarHBondContact O-NE 3.28Å; E224-R227 PolarHBondContact O-N 3.15Å; A225-R227 PolarHBondContact O-N 3.31Å; R227-C229 VanDerWaalsContact C-N 3.32Å; R227-C229 PolarHBondContact O-N 3.15Å; R227-I230 WeakPolarHBondContact O-CB 3.47Å; R227-I230 PolarHBondContact O-N 3.3Å; R227-E231 PolarHBondContact O-N 2.87Å; R227-E231 VanDerWaalsContact O-N 3.15Å |
| 228 | W | 97.3 | Very high | 95.4 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.4 | -31.3 | 179.1 | -82.2 | 109.6 | 0 | 0 | 0 | 113.4 | Y209 L212 C213 L216 E224 A225 Y226 I230 E231 A232 | Y209-W228 AromaticContact CD1-CE3 3.72Å; Y209-W228 HydrophobicContact CD1-CE3 3.72Å; Y209-W228 HydrophobicContact CD1-CH2 4.4Å; Y209-W228 AromaticContact CD1-CZ3 3.44Å; Y209-W228 HydrophobicContact CD1-CZ3 3.44Å; Y209-W228 VanDerWaalsContact CD1-CZ3 3.44Å; Y209-W228 HydrophobicContact CD2-CE3 4.3Å; Y209-W228 HydrophobicContact CD2-CZ3 4.17Å; Y209-W228 HydrophobicContact CE1-CE3 4.03Å; Y209-W228 AromaticContact CE1-CH2 3.96Å; Y209-W228 HydrophobicContact CE1-CH2 3.96Å; Y209-W228 AromaticContact CE1-CZ3 3.25Å; Y209-W228 HydrophobicContact CE1-CZ3 3.25Å; Y209-W228 HydrophobicContact CE2-CZ3 4.01Å; Y209-W228 AromaticContact CG-CE3 3.86Å; Y209-W228 HydrophobicContact CG-CE3 3.86Å; Y209-W228 AromaticContact CG-CZ3 3.9Å; Y209-W228 HydrophobicContact CG-CZ3 3.9Å; Y209-W228 AromaticContact CZ-CZ3 3.53Å; L212-W228 HydrophobicContact CD2-CD2 3.46Å; L212-W228 VanDerWaalsContact CD2-CD2 3.46Å; L212-W228 HydrophobicContact CD2-CE3 3.92Å; L212-W228 HydrophobicContact CD2-CG 3.88Å; L212-W228 HydrophobicContact CD2-CH2 4.13Å; L212-W228 HydrophobicContact CD2-CZ2 3.69Å; L212-W228 HydrophobicContact CD2-CZ3 4.25Å; L212-W228 HydrophobicContact CG-CD2 4.15Å; L212-W228 HydrophobicContact CG-CG 4.04Å; C213-W228 HydrophobicContact CB-CB 4.35Å; L216-W228 HydrophobicContact CD1-CG 4.14Å; E224-W228 VanDerWaalsContact O-CD1 3.28Å; E224-W228 PolarHBondContact O-N 3.45Å; A225-W228 PolarHBondContact O-N 2.99Å; Y226-W228 PolarHBondContact O-N 3.31Å; W228-I230 VanDerWaalsContact C-N 3.34Å; W228-E231 HydrophobicContact CE3-CB 4.12Å; W228-E231 HydrophobicContact CE3-CG 4.41Å; W228-E231 HydrophobicContact CZ3-CB 4.47Å; W228-E231 PolarHBondContact O-N 3.49Å; W228-A232 WeakPolarHBondContact O-CB 3.43Å; W228-A232 PolarHBondContact O-N 3.39Å |
| 229 | C | 95.1 | Very high | 95 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65 | -37.6 | 171.9 | -93.5 | 0 | 0 | 0 | 0 | 111.7 | C213 A225 Y226 R227 A232 M233 A252 A255 | C213-C229 HydrophobicContact CB-CB 4.16Å; C213-C229 WeakPolarHBondContact CB-SG 3.19Å; C213-C229 WeakPolarHBondContact SG-CB 3.26Å; C213-C229 CovalentContact SG-SG 2.05Å; C213-C229 PolarHBondContact SG-SG 3.2Å; A225-C229 WeakPolarHBondContact O-CB 3.42Å; A225-C229 PolarHBondContact O-N 3.5Å; Y226-C229 PolarHBondContact O-N 3.29Å; R227-C229 VanDerWaalsContact C-N 3.32Å; R227-C229 PolarHBondContact O-N 3.15Å; C229-A232 PolarHBondContact O-N 3.08Å; C229-M233 WeakPolarHBondContact O-CG 3.48Å; C229-M233 PolarHBondContact O-N 3.46Å; C229-A252 HydrophobicContact CB-CB 4.12Å; C229-A252 WeakPolarHBondContact SG-CA 3.23Å; C229-A252 PolarHBondContact SG-N 3.18Å; C229-A252 VanDerWaalsContact SG-N 3.39Å; C229-A255 HydrophobicContact CB-CB 4.3Å |
| 230 | I | 96.2 | Very high | 94.9 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 13% | 0.128 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 171.3 | -67.1 | 167.3 | 0 | 0 | 0 | 111 | Y226 R227 W228 A232 M233 K234 F574 L575 Q578 | Y226-I230 HydrophobicContact CD1-CD1 4.05Å; Y226-I230 HydrophobicContact CE1-CD1 3.64Å; Y226-I230 PolarHBondContact O-N 3.33Å; Y226-I230 VanDerWaalsContact O-N 3.08Å; R227-I230 WeakPolarHBondContact O-CB 3.47Å; R227-I230 PolarHBondContact O-N 3.3Å; W228-I230 VanDerWaalsContact C-N 3.34Å; I230-A232 PolarHBondContact O-N 3.46Å; I230-M233 PolarHBondContact O-N 2.89Å; I230-K234 WeakPolarHBondContact O-CG 3.5Å; I230-K234 PolarHBondContact O-N 3.43Å; I230-K234 VanDerWaalsContact O-N 3.15Å; I230-F574 HydrophobicContact CG1-CE1 4.09Å; I230-F574 HydrophobicContact CG1-CZ 4.23Å; I230-L575 HydrophobicContact CG2-CD2 4.03Å; I230-Q578 HydrophobicContact CD1-CG 4.25Å |
| 231 | E | 97.3 | Very high | 94.9 | Very high | 73 Ų | 73 | 56 Ų | 56 | 34% | 0.341 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 176.3 | -62.7 | -51.8 | 129.3 | 0 | 0 | 112.3 | Y209 R227 W228 M233 K234 E235 | Y209-E231 HydrophobicContact CD2-CB 3.86Å; Y209-E231 HydrophobicContact CE2-CB 4.13Å; R227-E231 PolarHBondContact O-N 2.87Å; R227-E231 VanDerWaalsContact O-N 3.15Å; W228-E231 HydrophobicContact CE3-CB 4.12Å; W228-E231 HydrophobicContact CE3-CG 4.41Å; W228-E231 HydrophobicContact CZ3-CB 4.47Å; W228-E231 PolarHBondContact O-N 3.49Å; E231-M233 VanDerWaalsContact C-N 3.32Å; E231-M233 PolarHBondContact O-N 3.33Å; E231-K234 PolarHBondContact O-N 2.8Å; E231-K234 IonicContact OE1-NZ 3.2Å; E231-K234 PolarHBondContact OE1-NZ 3.3Å; E231-K234 IonicContact OE2-NZ 2.66Å; E231-K234 PolarHBondContact OE2-NZ 3.47Å; E231-E235 WeakPolarHBondContact O-CG 3.46Å; E231-E235 PolarHBondContact O-N 3.04Å |
| 232 | A | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | W228 C229 I230 K234 E235 V248 | W228-A232 WeakPolarHBondContact O-CB 3.43Å; W228-A232 PolarHBondContact O-N 3.39Å; C229-A232 PolarHBondContact O-N 3.08Å; I230-A232 PolarHBondContact O-N 3.46Å; A232-K234 VanDerWaalsContact C-N 3.35Å; A232-K234 PolarHBondContact O-N 3.29Å; A232-E235 PolarHBondContact O-N 3.14Å; A232-V248 HydrophobicContact CB-CG1 3.71Å; A232-V248 HydrophobicContact CB-CG2 4.4Å |
| 233 | M | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 178 | -70.9 | -71.6 | -74.8 | 0 | 0 | 112.3 | C229 I230 E231 E235 I236 V248 L249 A252 L268 V571 F574 L575 | C229-M233 WeakPolarHBondContact O-CG 3.48Å; C229-M233 PolarHBondContact O-N 3.46Å; I230-M233 PolarHBondContact O-N 2.89Å; E231-M233 VanDerWaalsContact C-N 3.32Å; E231-M233 PolarHBondContact O-N 3.33Å; M233-E235 PolarHBondContact O-N 3.45Å; M233-I236 WeakPolarHBondContact O-CB 3.33Å; M233-I236 PolarHBondContact O-N 3.06Å; M233-I236 HydrophobicContact SD-CD1 3.69Å; M233-V248 HydrophobicContact CG-CG1 4.26Å; M233-V248 HydrophobicContact SD-CG1 3.86Å; M233-L249 HydrophobicContact CE-CD2 3.84Å; M233-L249 HydrophobicContact SD-CD2 3.88Å; M233-A252 HydrophobicContact CG-CB 4.21Å; M233-A252 HydrophobicContact SD-CB 4.21Å; M233-L268 HydrophobicContact CE-CD2 3.52Å; M233-V571 HydrophobicContact CE-CB 4.16Å; M233-V571 HydrophobicContact CE-CG1 4.17Å; M233-V571 HydrophobicContact CE-CG2 3.71Å; M233-V571 WeakPolarHBondContact O-CG1 3.45Å; M233-F574 HydrophobicContact CB-CD1 4.37Å; M233-F574 HydrophobicContact CB-CE1 4.38Å; M233-F574 HydrophobicContact CE-CB 4.22Å; M233-F574 HydrophobicContact CE-CD1 3.78Å; M233-F574 HydrophobicContact CE-CE1 4.45Å; M233-F574 HydrophobicContact CE-CG 4.08Å; M233-F574 HydrophobicContact CG-CD1 4.16Å; M233-F574 HydrophobicContact CG-CE1 4.02Å; M233-L575 HydrophobicContact CB-CD2 4.26Å |
| 234 | K | 96.2 | Very high | 95 | Very high | 112 Ų | 112 | 55 Ų | 55 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.7 | -24.8 | 175.5 | -69.1 | 171.6 | -175.8 | 168.6 | 0 | 113.4 | I230 E231 A232 I236 L575 | I230-K234 WeakPolarHBondContact O-CG 3.5Å; I230-K234 PolarHBondContact O-N 3.43Å; I230-K234 VanDerWaalsContact O-N 3.15Å; E231-K234 PolarHBondContact O-N 2.8Å; E231-K234 IonicContact OE1-NZ 3.2Å; E231-K234 PolarHBondContact OE1-NZ 3.3Å; E231-K234 IonicContact OE2-NZ 2.66Å; E231-K234 PolarHBondContact OE2-NZ 3.47Å; A232-K234 VanDerWaalsContact C-N 3.35Å; A232-K234 PolarHBondContact O-N 3.29Å; K234-I236 VanDerWaalsContact C-N 3.34Å; K234-L575 HydrophobicContact CG-CD1 4.11Å; K234-L575 HydrophobicContact CG-CD2 4.02Å |
| 235 | E | 96.3 | Very high | 95.1 | Very high | 50 Ų | 50 | 51.9 Ų | 51.9 | 23% | 0.234 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -4.3 | -179.6 | -65.8 | -82.2 | 158.5 | 0 | 0 | 112.6 | N204 K205 A206 Y209 E231 A232 M233 T237 | N204-E235 PolarHBondContact ND2-O 2.81Å; K205-E235 HydrophobicContact CB-CG 4.01Å; K205-E235 PolarHBondContact N-OE2 3.16Å; A206-E235 HydrophobicContact CB-CB 3.7Å; Y209-E235 HydrophobicContact CD2-CG 4.08Å; Y209-E235 HydrophobicContact CE2-CG 4.18Å; E231-E235 WeakPolarHBondContact O-CG 3.46Å; E231-E235 PolarHBondContact O-N 3.04Å; A232-E235 PolarHBondContact O-N 3.14Å; M233-E235 PolarHBondContact O-N 3.45Å; E235-T237 PolarHBondContact O-N 3.35Å |
| 236 | I | 95.2 | Very high | 95.1 | Very high | 25 Ų | 25 | 51.9 Ų | 51.9 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | trans | -70.4 | 121.6 | 174.4 | -63.5 | 177 | 0 | 0 | 0 | 109 | M233 K234 V245 V248 T567 V571 | M233-I236 WeakPolarHBondContact O-CB 3.33Å; M233-I236 PolarHBondContact O-N 3.06Å; M233-I236 HydrophobicContact SD-CD1 3.69Å; K234-I236 VanDerWaalsContact C-N 3.34Å; I236-V245 HydrophobicContact CG2-CG2 4.31Å; I236-V248 HydrophobicContact CD1-CB 4.31Å; I236-V248 HydrophobicContact CD1-CG1 3.91Å; I236-V248 HydrophobicContact CG1-CG1 4.43Å; I236-T567 HydrophobicContact CG2-CG2 4.34Å; I236-V571 HydrophobicContact CB-CG2 4.41Å; I236-V571 HydrophobicContact CD1-CG2 3.87Å; I236-V571 HydrophobicContact CG2-CG2 4.25Å | ||
| 237 | T | 91.3 | Very high | 95.2 | Very high | 78 Ų | 78 | 52.1 Ų | 52.1 | 48% | 0.479 | 28% | 0.281 | S | S | . | . | trans | -134.6 | 158.7 | -177.1 | 50.5 | 0 | 0 | 0 | 0 | 111 | E235 G239 L240 | E235-T237 PolarHBondContact O-N 3.35Å; T237-G239 PolarHBondContact O-N 3.19Å; T237-G239 VanDerWaalsContact O-N 3.16Å; T237-L240 WeakPolarHBondContact O-CB 3.45Å; T237-L240 PolarHBondContact O-N 2.9Å; T237-L240 VanDerWaalsContact O-N 3.13Å | ||
| 238 | V | 86.4 | Confident | 95.2 | Very high | 125 Ų | 125 | 45.4 Ų | 45.4 | 76% | 0.758 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 116.1 | 174.8 | -174.3 | 0 | 0 | 0 | 0 | 109 | E568 | V238-E568 HydrophobicContact CG2-CG 4.34Å; V238-E568 WeakPolarHBondContact CG2-OE1 3.42Å |
| 239 | G | 87.6 | Confident | 95.2 | Very high | 78 Ų | 78 | 41.9 Ų | 41.9 | 80% | 0.804 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 107.3 | -4.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T237 | T237-G239 PolarHBondContact O-N 3.19Å; T237-G239 VanDerWaalsContact O-N 3.16Å |
| 240 | L | 93.4 | Very high | 95.4 | Very high | 28 Ų | 28 | 42.7 Ų | 42.7 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -63.2 | 138.7 | 169.6 | -162.7 | 68.9 | 0 | 0 | 0 | 109.9 | A206 T237 V242 V244 V245 | A206-L240 HydrophobicContact CB-CD2 3.67Å; T237-L240 WeakPolarHBondContact O-CB 3.45Å; T237-L240 PolarHBondContact O-N 2.9Å; T237-L240 VanDerWaalsContact O-N 3.13Å; L240-V242 PolarHBondContact O-N 3.27Å; L240-V244 HydrophobicContact CD2-CB 4.25Å; L240-V244 HydrophobicContact CD2-CG1 3.78Å; L240-V244 HydrophobicContact CG-CB 4.23Å; L240-V244 HydrophobicContact CG-CG1 4.17Å; L240-V245 HydrophobicContact CB-CG2 4.17Å; L240-V245 HydrophobicContact CD2-CG2 4.06Å; L240-V245 HydrophobicContact CG-CG2 4.39Å |
| 241 | P | 95 | Very high | 95.5 | Very high | 81 Ų | 81 | 42.8 Ų | 42.8 | 53% | 0.526 | 25% | 0.245 | S | C | . | . | trans | -57.5 | 132.5 | 179.3 | -25.6 | 34.3 | 0 | 0 | 0 | 111.6 | K243 V244 V245 | P241-K243 PolarHBondContact O-N 2.68Å; P241-V244 HydrophobicContact CB-CG2 4.27Å; P241-V244 WeakPolarHBondContact O-CA 3.35Å; P241-V244 WeakPolarHBondContact O-CB 3.46Å; P241-V244 PolarHBondContact O-N 3.11Å; P241-V245 PolarHBondContact O-N 3.03Å | ||
| 242 | V | 95.7 | Very high | 95.5 | Very high | 43 Ų | 43 | 39.3 Ų | 39.3 | 26% | 0.261 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -53.8 | -34.5 | -178.4 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | L240 V244 V245 V246 H279 F280 | L240-V242 PolarHBondContact O-N 3.27Å; V242-V244 VanDerWaalsContact C-N 3.27Å; V242-V244 PolarHBondContact O-N 3.02Å; V242-V245 PolarHBondContact O-N 3.44Å; V242-V246 HydrophobicContact CG1-CG2 4.09Å; V242-V246 WeakPolarHBondContact O-CB 3.16Å; V242-V246 WeakPolarHBondContact O-CG2 3.49Å; V242-V246 PolarHBondContact O-N 3.47Å; V242-H279 HydrophobicContact CG1-CB 4.09Å; V242-F280 HydrophobicContact CG1-CE2 4.34Å; V242-F280 HydrophobicContact CG1-CZ 4.47Å |
| 243 | K | 95.6 | Very high | 95.5 | Very high | 89 Ų | 89 | 39.3 Ų | 39.3 | 39% | 0.387 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -54.3 | -44.2 | 174.6 | -171.6 | 178.5 | -178.4 | 173.2 | 0 | 111.7 | D132 P241 D247 F280 | D132-K243 IonicContact OD1-NZ 2.94Å; D132-K243 PolarHBondContact OD1-NZ 3.34Å; D132-K243 IonicContact OD2-NZ 3.33Å; P241-K243 PolarHBondContact O-N 2.68Å; K243-D247 PolarHBondContact O-N 3.18Å; K243-D247 VanDerWaalsContact O-N 3.14Å; K243-D247 VanDerWaalsContact O-OD2 3.1Å; K243-F280 HydrophobicContact CB-CZ 4.12Å |
| 244 | V | 96.9 | Very high | 95.6 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 19% | 0.188 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71 | -44 | -179.5 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | A206 A207 L240 P241 V242 V246 D247 V248 | A206-V244 HydrophobicContact CB-CG1 4.33Å; A207-V244 HydrophobicContact CB-CG1 3.75Å; A207-V244 HydrophobicContact CB-CG2 4.4Å; L240-V244 HydrophobicContact CD2-CB 4.25Å; L240-V244 HydrophobicContact CD2-CG1 3.78Å; L240-V244 HydrophobicContact CG-CB 4.23Å; L240-V244 HydrophobicContact CG-CG1 4.17Å; P241-V244 HydrophobicContact CB-CG2 4.27Å; P241-V244 WeakPolarHBondContact O-CA 3.35Å; P241-V244 WeakPolarHBondContact O-CB 3.46Å; P241-V244 PolarHBondContact O-N 3.11Å; V242-V244 VanDerWaalsContact C-N 3.27Å; V242-V244 PolarHBondContact O-N 3.02Å; V244-V246 PolarHBondContact O-N 3.05Å; V244-D247 PolarHBondContact O-N 3.34Å; V244-V248 HydrophobicContact CG1-CG2 4.36Å; V244-V248 WeakPolarHBondContact O-CG2 3.16Å; V244-V248 PolarHBondContact O-N 3.49Å |
| 245 | V | 97.6 | Very high | 95.6 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.7 | -50.9 | 176.5 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | I236 L240 P241 V242 D247 V248 L249 L275 T567 | I236-V245 HydrophobicContact CG2-CG2 4.31Å; L240-V245 HydrophobicContact CB-CG2 4.17Å; L240-V245 HydrophobicContact CD2-CG2 4.06Å; L240-V245 HydrophobicContact CG-CG2 4.39Å; P241-V245 PolarHBondContact O-N 3.03Å; V242-V245 PolarHBondContact O-N 3.44Å; V245-D247 VanDerWaalsContact C-N 3.31Å; V245-D247 PolarHBondContact O-N 2.92Å; V245-V248 PolarHBondContact O-N 3.13Å; V245-L249 HydrophobicContact CG1-CD1 3.89Å; V245-L249 HydrophobicContact CG1-CG 4.38Å; V245-L249 VanDerWaalsContact O-CG 3.27Å; V245-L249 WeakPolarHBondContact O-CG 3.49Å; V245-L249 PolarHBondContact O-N 2.97Å; V245-L275 HydrophobicContact CG1-CD1 3.98Å; V245-T567 HydrophobicContact CG1-CG2 3.63Å |
| 246 | V | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.7 | -44.8 | 177.4 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | V242 V244 L249 R250 L275 A276 T290 | V242-V246 HydrophobicContact CG1-CG2 4.09Å; V242-V246 WeakPolarHBondContact O-CB 3.16Å; V242-V246 WeakPolarHBondContact O-CG2 3.49Å; V242-V246 PolarHBondContact O-N 3.47Å; V244-V246 PolarHBondContact O-N 3.05Å; V246-L249 PolarHBondContact O-N 3.27Å; V246-R250 HydrophobicContact CG1-CG 4.39Å; V246-R250 WeakPolarHBondContact O-CD 3.28Å; V246-R250 WeakPolarHBondContact O-CG 3.27Å; V246-R250 PolarHBondContact O-N 3.11Å; V246-L275 HydrophobicContact CG2-CB 3.75Å; V246-L275 HydrophobicContact CG2-CD1 4.32Å; V246-A276 HydrophobicContact CG1-CB 4.3Å; V246-T290 HydrophobicContact CG1-CG2 3.54Å |
| 247 | D | 97.6 | Very high | 95.7 | Very high | 27 Ų | 27 | 31.9 Ų | 31.9 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.6 | -44.1 | 179.1 | -74.2 | -31.8 | 0 | 0 | 0 | 113 | K243 V244 V245 L249 R250 Q251 K286 | K243-D247 PolarHBondContact O-N 3.18Å; K243-D247 VanDerWaalsContact O-N 3.14Å; K243-D247 VanDerWaalsContact O-OD2 3.1Å; V244-D247 PolarHBondContact O-N 3.34Å; V245-D247 VanDerWaalsContact C-N 3.31Å; V245-D247 PolarHBondContact O-N 2.92Å; D247-L249 PolarHBondContact O-N 3.33Å; D247-R250 PolarHBondContact O-N 3.42Å; D247-R250 IonicContact OD1-CZ 2.68Å; D247-R250 IonicContact OD1-NH1 3.88Å; D247-R250 PolarHBondContact OD1-NH1 2.9Å; D247-Q251 WeakPolarHBondContact O-CG 3.04Å; D247-Q251 PolarHBondContact O-N 3.43Å; D247-K286 WeakPolarHBondContact OD1-CE 3.33Å; D247-K286 IonicContact OD1-NZ 2.98Å; D247-K286 PolarHBondContact OD1-NZ 2.98Å; D247-K286 IonicContact OD2-NZ 3.73Å; D247-K286 PolarHBondContact OD2-NZ 3.47Å |
| 248 | V | 98.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 177.3 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | A206 A232 M233 I236 V244 V245 R250 Q251 A252 | A206-V248 HydrophobicContact CB-CG2 4.36Å; A206-V248 WeakPolarHBondContact O-CG2 3.42Å; A232-V248 HydrophobicContact CB-CG1 3.71Å; A232-V248 HydrophobicContact CB-CG2 4.4Å; M233-V248 HydrophobicContact CG-CG1 4.26Å; M233-V248 HydrophobicContact SD-CG1 3.86Å; I236-V248 HydrophobicContact CD1-CB 4.31Å; I236-V248 HydrophobicContact CD1-CG1 3.91Å; I236-V248 HydrophobicContact CG1-CG1 4.43Å; V244-V248 HydrophobicContact CG1-CG2 4.36Å; V244-V248 WeakPolarHBondContact O-CG2 3.16Å; V244-V248 PolarHBondContact O-N 3.49Å; V245-V248 PolarHBondContact O-N 3.13Å; V248-R250 PolarHBondContact O-N 3.36Å; V248-Q251 PolarHBondContact O-N 3.47Å; V248-A252 VanDerWaalsContact O-CB 3.28Å; V248-A252 WeakPolarHBondContact O-CB 3.29Å; V248-A252 PolarHBondContact O-N 2.83Å |
| 249 | L | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61 | -42.4 | 178.1 | -67.6 | 171.6 | 0 | 0 | 0 | 112.3 | M233 V245 V246 D247 A252 S253 L268 A272 L275 | M233-L249 HydrophobicContact CE-CD2 3.84Å; M233-L249 HydrophobicContact SD-CD2 3.88Å; V245-L249 HydrophobicContact CG1-CD1 3.89Å; V245-L249 HydrophobicContact CG1-CG 4.38Å; V245-L249 VanDerWaalsContact O-CG 3.27Å; V245-L249 WeakPolarHBondContact O-CG 3.49Å; V245-L249 PolarHBondContact O-N 2.97Å; V246-L249 PolarHBondContact O-N 3.27Å; D247-L249 PolarHBondContact O-N 3.33Å; L249-A252 PolarHBondContact O-N 3.14Å; L249-S253 WeakPolarHBondContact O-CB 3.43Å; L249-S253 PolarHBondContact O-N 3.11Å; L249-L268 HydrophobicContact CD2-CD2 3.63Å; L249-A272 HydrophobicContact CB-CB 3.94Å; L249-A272 HydrophobicContact CD1-CB 4.38Å; L249-L275 HydrophobicContact CD1-CD1 3.95Å |
| 250 | R | 98.1 | Very high | 96.3 | Very high | 19 Ų | 19 | 25.4 Ų | 25.4 | 7% | 0.072 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.6 | -47.2 | 176.6 | -71.4 | 164.4 | 65 | -167.8 | 8.2 | 112.1 | V246 D247 V248 S253 K254 I269 A272 D289 T290 D293 | V246-R250 HydrophobicContact CG1-CG 4.39Å; V246-R250 WeakPolarHBondContact O-CD 3.28Å; V246-R250 WeakPolarHBondContact O-CG 3.27Å; V246-R250 PolarHBondContact O-N 3.11Å; D247-R250 PolarHBondContact O-N 3.42Å; D247-R250 IonicContact OD1-CZ 2.68Å; D247-R250 IonicContact OD1-NH1 3.88Å; D247-R250 PolarHBondContact OD1-NH1 2.9Å; V248-R250 PolarHBondContact O-N 3.36Å; R250-S253 PolarHBondContact O-N 2.93Å; R250-K254 PolarHBondContact O-N 3.3Å; R250-K254 VanDerWaalsContact O-N 3.11Å; R250-I269 HydrophobicContact CG-CD1 4.34Å; R250-A272 HydrophobicContact CG-CB 4.05Å; R250-D289 VanDerWaalsContact CZ-CB 3.47Å; R250-D289 IonicContact CZ-OD2 2.92Å; R250-D289 IonicContact NH1-OD2 3.29Å; R250-D289 PolarHBondContact NH1-OD2 3.19Å; R250-D289 PolarHBondContact NH2-O 2.96Å; R250-D289 IonicContact NH2-OD2 2.61Å; R250-T290 HydrophobicContact CG-CG2 3.95Å; R250-D293 IonicContact CZ-OD2 2.8Å; R250-D293 VanDerWaalsContact CZ-OD2 3.22Å; R250-D293 IonicContact NE-OD2 3.36Å; R250-D293 PolarHBondContact NE-OD2 2.94Å; R250-D293 IonicContact NH2-OD2 2.6Å; R250-D293 PolarHBondContact NH2-OD2 3.2Å |
| 251 | Q | 97.9 | Very high | 96.3 | Very high | 26 Ų | 26 | 26.5 Ų | 26.5 | 12% | 0.121 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.5 | -42 | 178.7 | -59.7 | -55 | -22.7 | 0 | 0 | 111.3 | A214 D247 V248 S253 K254 A255 | A214-Q251 HydrophobicContact CB-CG 4.21Å; D247-Q251 WeakPolarHBondContact O-CG 3.04Å; D247-Q251 PolarHBondContact O-N 3.43Å; V248-Q251 PolarHBondContact O-N 3.47Å; Q251-S253 VanDerWaalsContact C-N 3.34Å; Q251-S253 PolarHBondContact O-N 2.88Å; Q251-K254 PolarHBondContact O-N 3.19Å; Q251-A255 PolarHBondContact O-N 3.1Å |
| 252 | A | 97.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C229 M233 V248 L249 A255 C256 L268 | C229-A252 HydrophobicContact CB-CB 4.12Å; C229-A252 WeakPolarHBondContact SG-CA 3.23Å; C229-A252 PolarHBondContact SG-N 3.18Å; C229-A252 VanDerWaalsContact SG-N 3.39Å; M233-A252 HydrophobicContact CG-CB 4.21Å; M233-A252 HydrophobicContact SD-CB 4.21Å; V248-A252 VanDerWaalsContact O-CB 3.28Å; V248-A252 WeakPolarHBondContact O-CB 3.29Å; V248-A252 PolarHBondContact O-N 2.83Å; L249-A252 PolarHBondContact O-N 3.14Å; A252-A255 PolarHBondContact O-N 2.93Å; A252-C256 PolarHBondContact O-N 2.96Å; A252-C256 PolarHBondContact O-SG 3.22Å; A252-L268 HydrophobicContact CB-CD1 3.8Å |
| 253 | S | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.2 | -49.1 | 174 | 179.3 | 0 | 0 | 0 | 0 | 111.9 | L249 R250 Q251 A255 C256 V257 A265 I269 | L249-S253 WeakPolarHBondContact O-CB 3.43Å; L249-S253 PolarHBondContact O-N 3.11Å; R250-S253 PolarHBondContact O-N 2.93Å; Q251-S253 VanDerWaalsContact C-N 3.34Å; Q251-S253 PolarHBondContact O-N 2.88Å; S253-A255 VanDerWaalsContact C-N 3.32Å; S253-A255 PolarHBondContact O-N 3.33Å; S253-C256 WeakPolarHBondContact O-CA 3.22Å; S253-C256 WeakPolarHBondContact O-CB 3.46Å; S253-C256 PolarHBondContact O-N 3.05Å; S253-V257 WeakPolarHBondContact O-CG2 3.49Å; S253-V257 PolarHBondContact O-N 3.12Å; S253-A265 PolarHBondContact OG-O 2.97Å; S253-I269 WeakPolarHBondContact OG-CB 3.45Å |
| 254 | K | 97.6 | Very high | 95.9 | Very high | 30 Ų | 30 | 24.3 Ų | 24.3 | 13% | 0.13 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.7 | -42.6 | 176.7 | -77.1 | -171.8 | -73.5 | -148 | 0 | 113 | F217 R250 Q251 C256 V257 V258 D293 F296 | F217-K254 HydrophobicContact CD2-CB 4.4Å; F217-K254 HydrophobicContact CE1-CD 4.49Å; F217-K254 HydrophobicContact CE2-CB 3.91Å; F217-K254 HydrophobicContact CZ-CB 4.1Å; F217-K254 HydrophobicContact CZ-CD 4.48Å; R250-K254 PolarHBondContact O-N 3.3Å; R250-K254 VanDerWaalsContact O-N 3.11Å; Q251-K254 PolarHBondContact O-N 3.19Å; K254-C256 VanDerWaalsContact C-N 3.32Å; K254-C256 PolarHBondContact O-N 3.48Å; K254-V257 WeakPolarHBondContact O-CB 3.46Å; K254-V257 PolarHBondContact O-N 2.84Å; K254-V258 PolarHBondContact O-N 2.91Å; K254-D293 VanDerWaalsContact CD-OD1 3.27Å; K254-D293 WeakPolarHBondContact CD-OD1 3.35Å; K254-D293 WeakPolarHBondContact CE-OD1 3.3Å; K254-D293 IonicContact NZ-OD1 2.68Å; K254-D293 PolarHBondContact NZ-OD1 2.87Å; K254-D293 IonicContact NZ-OD2 3.29Å; K254-F296 HydrophobicContact CB-CE1 4.29Å; K254-F296 HydrophobicContact CD-CD1 4.49Å; K254-F296 HydrophobicContact CG-CD1 3.88Å; K254-F296 HydrophobicContact CG-CE1 3.89Å |
| 255 | A | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.9 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y226 C229 Q251 A252 S253 V258 K259 | Y226-A255 HydrophobicContact CD2-CB 4.07Å; C229-A255 HydrophobicContact CB-CB 4.3Å; Q251-A255 PolarHBondContact O-N 3.1Å; A252-A255 PolarHBondContact O-N 2.93Å; S253-A255 VanDerWaalsContact C-N 3.32Å; S253-A255 PolarHBondContact O-N 3.33Å; A255-V258 WeakPolarHBondContact O-CG2 3.47Å; A255-V258 PolarHBondContact O-N 2.81Å; A255-K259 WeakPolarHBondContact O-CG 3.2Å; A255-K259 PolarHBondContact O-N 3.31Å; A255-K259 VanDerWaalsContact O-N 3.16Å |
| 256 | C | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.2 | -41.2 | 174.4 | -65.4 | 0 | 0 | 0 | 0 | 112.2 | A252 S253 K254 V258 K259 R260 E261 A265 F574 | A252-C256 PolarHBondContact O-N 2.96Å; A252-C256 PolarHBondContact O-SG 3.22Å; S253-C256 WeakPolarHBondContact O-CA 3.22Å; S253-C256 WeakPolarHBondContact O-CB 3.46Å; S253-C256 PolarHBondContact O-N 3.05Å; K254-C256 VanDerWaalsContact C-N 3.32Å; K254-C256 PolarHBondContact O-N 3.48Å; C256-V258 PolarHBondContact O-N 3.22Å; C256-K259 CarbonylContact O-C 3.5Å; C256-K259 PolarHBondContact O-N 3Å; C256-R260 PolarHBondContact O-N 3.35Å; C256-E261 HydrophobicContact CB-CB 4.14Å; C256-E261 PolarHBondContact O-N 2.95Å; C256-A265 HydrophobicContact CB-CB 3.66Å; C256-F574 VanDerWaalsContact SG-CE2 3.59Å |
| 257 | V | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.7 | -48.7 | 177.7 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | S253 K254 K259 R260 F262 A265 F296 Y297 N300 | S253-V257 WeakPolarHBondContact O-CG2 3.49Å; S253-V257 PolarHBondContact O-N 3.12Å; K254-V257 WeakPolarHBondContact O-CB 3.46Å; K254-V257 PolarHBondContact O-N 2.84Å; V257-K259 VanDerWaalsContact C-N 3.26Å; V257-K259 PolarHBondContact O-N 3.29Å; V257-R260 PolarHBondContact O-N 2.92Å; V257-R260 PolarHBondContact O-NH1 3.21Å; V257-F262 HydrophobicContact CG1-CE1 4.31Å; V257-A265 HydrophobicContact CG2-CB 3.64Å; V257-F296 HydrophobicContact CB-CE1 3.79Å; V257-F296 HydrophobicContact CB-CZ 4.48Å; V257-F296 HydrophobicContact CG1-CD1 4.4Å; V257-F296 HydrophobicContact CG1-CE1 3.58Å; V257-F296 HydrophobicContact CG1-CZ 3.91Å; V257-F296 HydrophobicContact CG2-CD1 4.46Å; V257-F296 HydrophobicContact CG2-CE1 4.1Å; V257-Y297 HydrophobicContact CG2-CD2 4Å; V257-N300 HydrophobicContact CG1-CB 3.38Å |
| 258 | V | 92.6 | Very high | 95.5 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 13% | 0.133 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.9 | -26.6 | 179.9 | -64.2 | 0 | 0 | 0 | 0 | 112.5 | F217 Y222 K254 A255 C256 R260 | F217-V258 HydrophobicContact CD2-CG2 4.34Å; F217-V258 HydrophobicContact CE2-CB 4.38Å; F217-V258 HydrophobicContact CE2-CG1 3.53Å; F217-V258 HydrophobicContact CE2-CG2 3.89Å; F217-V258 HydrophobicContact CZ-CG1 3.92Å; Y222-V258 HydrophobicContact CD1-CB 4.25Å; Y222-V258 HydrophobicContact CD1-CG1 4.3Å; Y222-V258 HydrophobicContact CD1-CG2 3.84Å; Y222-V258 HydrophobicContact CE1-CG1 4.23Å; Y222-V258 HydrophobicContact CG-CB 4.29Å; Y222-V258 HydrophobicContact CG-CG2 3.98Å; K254-V258 PolarHBondContact O-N 2.91Å; A255-V258 WeakPolarHBondContact O-CG2 3.47Å; A255-V258 PolarHBondContact O-N 2.81Å; C256-V258 PolarHBondContact O-N 3.22Å; V258-R260 VanDerWaalsContact C-N 3.26Å |
| 259 | K | 92.5 | Very high | 95.4 | Very high | 81 Ų | 81 | 26.4 Ų | 26.4 | 35% | 0.352 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 2.2 | 171.3 | -64.3 | -53.4 | -56.8 | 175.7 | 0 | 113.9 | D223 Y226 A255 C256 V257 E261 | D223-K259 WeakPolarHBondContact OD1-CE 3.12Å; D223-K259 IonicContact OD1-NZ 2.75Å; D223-K259 PolarHBondContact OD1-NZ 2.94Å; Y226-K259 HydrophobicContact CD1-CG 4.35Å; Y226-K259 HydrophobicContact CD2-CB 4.46Å; Y226-K259 HydrophobicContact CD2-CG 3.85Å; Y226-K259 HydrophobicContact CE2-CG 4.47Å; Y226-K259 HydrophobicContact CG-CG 3.79Å; A255-K259 WeakPolarHBondContact O-CG 3.2Å; A255-K259 PolarHBondContact O-N 3.31Å; A255-K259 VanDerWaalsContact O-N 3.16Å; C256-K259 CarbonylContact O-C 3.5Å; C256-K259 PolarHBondContact O-N 3Å; V257-K259 VanDerWaalsContact C-N 3.26Å; V257-K259 PolarHBondContact O-N 3.29Å; K259-E261 HydrophobicContact CB-CG 4.28Å; K259-E261 PolarHBondContact O-N 3.38Å |
| 260 | R | 91.9 | Very high | 95.3 | Very high | 42 Ų | 42 | 27.9 Ų | 27.9 | 16% | 0.158 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 24.2 | -177.8 | -47.6 | -61.9 | 169.3 | -133.1 | 1.1 | 113.9 | C256 V257 V258 F262 Y468 L505 | C256-R260 PolarHBondContact O-N 3.35Å; V257-R260 PolarHBondContact O-N 2.92Å; V257-R260 PolarHBondContact O-NH1 3.21Å; V258-R260 VanDerWaalsContact C-N 3.26Å; R260-F262 HydrophobicContact CB-CE2 4.1Å; R260-F262 HydrophobicContact CB-CZ 4.24Å; R260-F262 VanDerWaalsContact CD-CZ 3.46Å; R260-F262 HydrophobicContact CG-CZ 4.46Å; R260-F262 PolarHBondContact O-N 3.22Å; R260-F262 VanDerWaalsContact O-N 3.11Å; R260-Y468 VanDerWaalsContact NH2-CD1 3.31Å; R260-L505 HydrophobicContact CG-CD2 4.32Å |
| 261 | E | 93.4 | Very high | 95.1 | Very high | 52 Ų | 52 | 27 Ų | 27 | 24% | 0.243 | 13% | 0.133 | C | C | . | . | trans | -87.9 | 59.9 | 173.1 | -61.7 | -165.5 | -156 | 0 | 0 | 110.3 | Y226 C256 K259 S263 K264 A265 | Y226-E261 VanDerWaalsContact CZ-OE1 3.27Å; Y226-E261 PolarHBondContact OH-OE1 2.92Å; Y226-E261 PolarHBondContact OH-OE2 3.33Å; C256-E261 HydrophobicContact CB-CB 4.14Å; C256-E261 PolarHBondContact O-N 2.95Å; K259-E261 HydrophobicContact CB-CG 4.28Å; K259-E261 PolarHBondContact O-N 3.38Å; E261-S263 VanDerWaalsContact C-N 3.35Å; E261-S263 PolarHBondContact O-N 3.43Å; E261-K264 HydrophobicContact CB-CB 4.37Å; E261-K264 HydrophobicContact CB-CG 4.48Å; E261-K264 PolarHBondContact O-N 3.36Å; E261-K264 VanDerWaalsContact O-N 3.11Å; E261-K264 WeakPolarHBondContact OE2-CD 3.4Å; E261-K264 WeakPolarHBondContact OE2-CE 3.28Å; E261-K264 IonicContact OE2-NZ 3.84Å; E261-K264 PolarHBondContact OE2-NZ 2.86Å; E261-A265 PolarHBondContact O-N 3.45Å | ||
| 262 | F | 92.4 | Very high | 95.1 | Very high | 32 Ų | 32 | 25.8 Ų | 25.8 | 14% | 0.14 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.5 | -38.2 | -168 | -62.9 | -57 | 0 | 0 | 0 | 114 | V257 R260 K264 A265 E266 Y297 N300 V301 F506 | V257-F262 HydrophobicContact CG1-CE1 4.31Å; R260-F262 HydrophobicContact CB-CE2 4.1Å; R260-F262 HydrophobicContact CB-CZ 4.24Å; R260-F262 VanDerWaalsContact CD-CZ 3.46Å; R260-F262 HydrophobicContact CG-CZ 4.46Å; R260-F262 PolarHBondContact O-N 3.22Å; R260-F262 VanDerWaalsContact O-N 3.11Å; F262-K264 VanDerWaalsContact C-N 3.33Å; F262-K264 PolarHBondContact O-N 2.93Å; F262-A265 WeakPolarHBondContact O-CB 3.24Å; F262-A265 PolarHBondContact O-N 3.03Å; F262-E266 WeakPolarHBondContact O-CB 3.36Å; F262-E266 PolarHBondContact O-N 3.34Å; F262-Y297 WeakPolarHBondContact O-CE2 3.4Å; F262-N300 HydrophobicContact CE1-CB 4.25Å; F262-V301 HydrophobicContact CB-CG1 3.86Å; F262-V301 HydrophobicContact CD1-CG1 3.49Å; F262-V301 VanDerWaalsContact CD1-CG1 3.49Å; F262-V301 HydrophobicContact CE1-CG1 4.14Å; F262-V301 HydrophobicContact CG-CG1 3.72Å; F262-F506 AromaticContact CE2-CD1 3.87Å; F262-F506 HydrophobicContact CE2-CD1 3.87Å; F262-F506 AromaticContact CE2-CE1 3.79Å; F262-F506 HydrophobicContact CE2-CE1 3.79Å; F262-F506 AromaticContact CZ-CD1 4Å; F262-F506 HydrophobicContact CZ-CD1 4Å; F262-F506 AromaticContact CZ-CE1 3.45Å; F262-F506 HydrophobicContact CZ-CE1 3.45Å; F262-F506 VanDerWaalsContact CZ-CE1 3.45Å; F262-F506 HydrophobicContact CZ-CZ 4.21Å |
| 263 | S | 92.4 | Very high | 95 | Very high | 96 Ų | 96 | 25.7 Ų | 25.7 | 67% | 0.671 | 13% | 0.127 | S | C | * | . | H | α-helix | trans | -63.4 | -39 | 177.4 | 175.6 | 0 | 0 | 0 | 0 | 112.1 | E261 Q267 | E261-S263 VanDerWaalsContact C-N 3.35Å; E261-S263 PolarHBondContact O-N 3.43Å; S263-Q267 PolarHBondContact O-N 3.44Å |
| 264 | K | 94.4 | Very high | 94.8 | Very high | 38 Ų | 38 | 27.8 Ų | 27.8 | 17% | 0.165 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.9 | -43.8 | 175.1 | -59.2 | -166.2 | -156.9 | 167.8 | 0 | 110.9 | E261 F262 E266 Q267 L268 F574 S577 | E261-K264 HydrophobicContact CB-CB 4.37Å; E261-K264 HydrophobicContact CB-CG 4.48Å; E261-K264 PolarHBondContact O-N 3.36Å; E261-K264 VanDerWaalsContact O-N 3.11Å; E261-K264 WeakPolarHBondContact OE2-CD 3.4Å; E261-K264 WeakPolarHBondContact OE2-CE 3.28Å; E261-K264 IonicContact OE2-NZ 3.84Å; E261-K264 PolarHBondContact OE2-NZ 2.86Å; F262-K264 VanDerWaalsContact C-N 3.33Å; F262-K264 PolarHBondContact O-N 2.93Å; K264-E266 VanDerWaalsContact C-N 3.27Å; K264-E266 PolarHBondContact O-N 3.36Å; K264-Q267 PolarHBondContact O-N 3.33Å; K264-L268 VanDerWaalsContact O-CG 3.27Å; K264-L268 WeakPolarHBondContact O-CG 3.43Å; K264-L268 PolarHBondContact O-N 3.39Å; K264-L268 VanDerWaalsContact O-N 3.13Å; K264-F574 HydrophobicContact CB-CD2 4.04Å; K264-F574 HydrophobicContact CB-CE2 4.09Å; K264-F574 HydrophobicContact CD-CD2 3.87Å; K264-F574 HydrophobicContact CD-CE2 3.82Å; K264-F574 HydrophobicContact CG-CD2 4.37Å; K264-S577 WeakPolarHBondContact CD-OG 3.35Å; K264-S577 WeakPolarHBondContact CE-OG 3.09Å; K264-S577 PolarHBondContact NZ-OG 3.18Å |
| 265 | A | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56 | -44.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S253 C256 V257 E261 F262 L268 I269 Y297 | S253-A265 PolarHBondContact OG-O 2.97Å; C256-A265 HydrophobicContact CB-CB 3.66Å; V257-A265 HydrophobicContact CG2-CB 3.64Å; E261-A265 PolarHBondContact O-N 3.45Å; F262-A265 WeakPolarHBondContact O-CB 3.24Å; F262-A265 PolarHBondContact O-N 3.03Å; A265-L268 PolarHBondContact O-N 3.04Å; A265-I269 VanDerWaalsContact O-CG2 3.27Å; A265-I269 WeakPolarHBondContact O-CG2 3.35Å; A265-I269 PolarHBondContact O-N 3.43Å; A265-Y297 HydrophobicContact CB-CD2 3.83Å; A265-Y297 HydrophobicContact CB-CE2 4.09Å |
| 266 | E | 94.1 | Very high | 94.6 | Very high | 62 Ų | 62 | 27 Ų | 27 | 29% | 0.29 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -60.1 | -52.5 | 178.5 | -168.5 | 178.5 | 176.9 | 0 | 0 | 111.9 | F262 K264 L268 I269 K270 Y297 | F262-E266 WeakPolarHBondContact O-CB 3.36Å; F262-E266 PolarHBondContact O-N 3.34Å; K264-E266 VanDerWaalsContact C-N 3.27Å; K264-E266 PolarHBondContact O-N 3.36Å; E266-L268 VanDerWaalsContact C-N 3.27Å; E266-L268 PolarHBondContact O-N 2.89Å; E266-I269 WeakPolarHBondContact O-CG2 3.49Å; E266-I269 PolarHBondContact O-N 3.16Å; E266-K270 HydrophobicContact CG-CD 3.95Å; E266-K270 HydrophobicContact CG-CG 4.3Å; E266-K270 WeakPolarHBondContact O-CB 3.34Å; E266-K270 WeakPolarHBondContact O-CG 3.39Å; E266-K270 PolarHBondContact O-N 3.16Å; E266-K270 WeakPolarHBondContact OE1-CE 3.47Å; E266-K270 IonicContact OE1-NZ 2.72Å; E266-K270 PolarHBondContact OE1-NZ 3.37Å; E266-Y297 HydrophobicContact CB-CE1 4.28Å; E266-Y297 HydrophobicContact CB-CE2 3.75Å; E266-Y297 VanDerWaalsContact CB-OH 3.28Å; E266-Y297 WeakPolarHBondContact CB-OH 3.44Å; E266-Y297 VanDerWaalsContact CD-OH 3.24Å; E266-Y297 HydrophobicContact CG-CE1 4.03Å; E266-Y297 HydrophobicContact CG-CE2 4.39Å; E266-Y297 VanDerWaalsContact CG-OH 3.27Å; E266-Y297 WeakPolarHBondContact CG-OH 3.44Å; E266-Y297 PolarHBondContact OE2-OH 3.39Å |
| 267 | Q | 93.5 | Very high | 94.5 | Very high | 53 Ų | 53 | 28.9 Ų | 28.9 | 25% | 0.248 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.3 | -45.6 | -179.7 | -169.8 | -176.8 | 24.7 | 0 | 0 | 110.8 | S263 K264 H271 V570 S573 | S263-Q267 PolarHBondContact O-N 3.44Å; K264-Q267 PolarHBondContact O-N 3.33Å; Q267-H271 WeakPolarHBondContact O-CB 3.42Å; Q267-H271 PolarHBondContact O-N 2.93Å; Q267-V570 HydrophobicContact CG-CG1 4.07Å; Q267-S573 PolarHBondContact OE1-OG 2.96Å |
| 268 | L | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.8 | -45.1 | -178.2 | -64.1 | 175.3 | 0 | 0 | 0 | 112.5 | M233 L249 A252 K264 A265 E266 H271 A272 V570 F574 | M233-L268 HydrophobicContact CE-CD2 3.52Å; L249-L268 HydrophobicContact CD2-CD2 3.63Å; A252-L268 HydrophobicContact CB-CD1 3.8Å; K264-L268 VanDerWaalsContact O-CG 3.27Å; K264-L268 WeakPolarHBondContact O-CG 3.43Å; K264-L268 PolarHBondContact O-N 3.39Å; K264-L268 VanDerWaalsContact O-N 3.13Å; A265-L268 PolarHBondContact O-N 3.04Å; E266-L268 VanDerWaalsContact C-N 3.27Å; E266-L268 PolarHBondContact O-N 2.89Å; L268-H271 PolarHBondContact O-N 3.42Å; L268-A272 WeakPolarHBondContact O-CB 3.45Å; L268-A272 PolarHBondContact O-N 3.06Å; L268-V570 HydrophobicContact CD2-CG1 4.18Å; L268-F574 HydrophobicContact CD1-CD2 3.84Å; L268-F574 HydrophobicContact CD1-CE2 3.85Å; L268-F574 HydrophobicContact CD1-CG 4.48Å; L268-F574 HydrophobicContact CD1-CZ 4.49Å; L268-F574 HydrophobicContact CD2-CB 4.38Å; L268-F574 HydrophobicContact CD2-CD2 4.36Å; L268-F574 HydrophobicContact CD2-CG 4.36Å; L268-F574 HydrophobicContact CG-CD2 4.34Å |
| 269 | I | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -73.3 | -39.7 | -176.1 | -166.5 | 55 | 0 | 0 | 0 | 112.1 | R250 S253 A265 E266 H271 A272 V273 D293 Y294 Y297 | R250-I269 HydrophobicContact CG-CD1 4.34Å; S253-I269 WeakPolarHBondContact OG-CB 3.45Å; A265-I269 VanDerWaalsContact O-CG2 3.27Å; A265-I269 WeakPolarHBondContact O-CG2 3.35Å; A265-I269 PolarHBondContact O-N 3.43Å; E266-I269 WeakPolarHBondContact O-CG2 3.49Å; E266-I269 PolarHBondContact O-N 3.16Å; I269-H271 VanDerWaalsContact C-N 3.3Å; I269-H271 PolarHBondContact O-N 3.01Å; I269-A272 HydrophobicContact CD1-CB 4.46Å; I269-A272 PolarHBondContact O-N 3.26Å; I269-V273 HydrophobicContact CG1-CG2 4.45Å; I269-V273 VanDerWaalsContact O-CG2 3.27Å; I269-V273 WeakPolarHBondContact O-CG2 3.29Å; I269-V273 PolarHBondContact O-N 3.31Å; I269-D293 HydrophobicContact CD1-CB 3.72Å; I269-Y294 HydrophobicContact CG1-CD2 4.08Å; I269-Y294 HydrophobicContact CG1-CG 4.29Å; I269-Y294 HydrophobicContact CG2-CD2 3.72Å; I269-Y294 HydrophobicContact CG2-CE2 4.26Å; I269-Y297 HydrophobicContact CG2-CD1 4.18Å; I269-Y297 HydrophobicContact CG2-CG 4.04Å |
| 270 | K | 94.9 | Very high | 94.4 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 14% | 0.135 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 174.7 | -70.4 | -172 | 166.9 | 171.8 | 0 | 110.8 | E266 V273 F274 Y294 D559 V560 | E266-K270 HydrophobicContact CG-CD 3.95Å; E266-K270 HydrophobicContact CG-CG 4.3Å; E266-K270 WeakPolarHBondContact O-CB 3.34Å; E266-K270 WeakPolarHBondContact O-CG 3.39Å; E266-K270 PolarHBondContact O-N 3.16Å; E266-K270 WeakPolarHBondContact OE1-CE 3.47Å; E266-K270 IonicContact OE1-NZ 2.72Å; E266-K270 PolarHBondContact OE1-NZ 3.37Å; K270-V273 PolarHBondContact O-N 2.91Å; K270-F274 WeakPolarHBondContact O-CB 3.48Å; K270-F274 PolarHBondContact O-N 3.31Å; K270-Y294 HydrophobicContact CG-CE2 4.36Å; K270-D559 WeakPolarHBondContact CE-OD2 3.42Å; K270-D559 VanDerWaalsContact NZ-CG 3.29Å; K270-D559 IonicContact NZ-OD1 2.65Å; K270-D559 PolarHBondContact NZ-OD1 3.43Å; K270-D559 IonicContact NZ-OD2 2.77Å; K270-D559 PolarHBondContact NZ-OD2 3.46Å; K270-V560 HydrophobicContact CB-CG2 4.35Å; K270-V560 HydrophobicContact CD-CG2 4.43Å; K270-V560 HydrophobicContact CG-CG2 3.97Å; K270-V560 WeakPolarHBondContact O-CG1 3.46Å |
| 271 | H | 95.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 175.7 | -165.3 | 62 | 0 | 0 | 0 | 112.4 | Q267 L268 I269 F274 L275 Q565 T567 V570 | Q267-H271 WeakPolarHBondContact O-CB 3.42Å; Q267-H271 PolarHBondContact O-N 2.93Å; L268-H271 PolarHBondContact O-N 3.42Å; I269-H271 VanDerWaalsContact C-N 3.3Å; I269-H271 PolarHBondContact O-N 3.01Å; H271-F274 PolarHBondContact O-N 3.14Å; H271-L275 WeakPolarHBondContact O-CB 3.26Å; H271-L275 WeakPolarHBondContact O-CG 3.41Å; H271-L275 PolarHBondContact O-N 2.58Å; H271-Q565 PolarHBondContact CE1-O 3.18Å; H271-T567 WeakPolarHBondContact NE2-CA 3.36Å; H271-T567 PolarHBondContact NE2-OG1 2.94Å; H271-V570 HydrophobicContact CB-CG1 4.31Å; H271-V570 HydrophobicContact CB-CG2 4.5Å |
| 272 | A | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L249 R250 L268 I269 L275 A276 T290 | L249-A272 HydrophobicContact CB-CB 3.94Å; L249-A272 HydrophobicContact CD1-CB 4.38Å; R250-A272 HydrophobicContact CG-CB 4.05Å; L268-A272 WeakPolarHBondContact O-CB 3.45Å; L268-A272 PolarHBondContact O-N 3.06Å; I269-A272 HydrophobicContact CD1-CB 4.46Å; I269-A272 PolarHBondContact O-N 3.26Å; A272-L275 PolarHBondContact O-N 2.8Å; A272-A276 VanDerWaalsContact O-CB 3.29Å; A272-A276 WeakPolarHBondContact O-CB 3.39Å; A272-A276 PolarHBondContact O-N 2.54Å; A272-T290 HydrophobicContact CB-CG2 4.1Å |
| 273 | V | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -44.8 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | I269 K270 A276 R277 Y287 L291 Y294 V560 | I269-V273 HydrophobicContact CG1-CG2 4.45Å; I269-V273 VanDerWaalsContact O-CG2 3.27Å; I269-V273 WeakPolarHBondContact O-CG2 3.29Å; I269-V273 PolarHBondContact O-N 3.31Å; K270-V273 PolarHBondContact O-N 2.91Å; V273-A276 PolarHBondContact O-N 3.4Å; V273-R277 WeakPolarHBondContact O-CB 3.46Å; V273-R277 PolarHBondContact O-N 3.45Å; V273-Y287 HydrophobicContact CG1-CD2 4.45Å; V273-Y287 HydrophobicContact CG1-CE2 3.64Å; V273-L291 HydrophobicContact CG1-CD2 4.1Å; V273-Y294 HydrophobicContact CG2-CD1 4.44Å; V273-Y294 HydrophobicContact CG2-CG 4.32Å; V273-V560 HydrophobicContact CB-CG1 3.85Å; V273-V560 HydrophobicContact CG1-CB 4.44Å; V273-V560 HydrophobicContact CG1-CG1 3.6Å |
| 274 | F | 94.5 | Very high | 94.3 | Very high | 43 Ų | 43 | 43.9 Ų | 43.9 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.2 | -56.5 | 174.9 | 172.1 | -97.1 | 0 | 0 | 0 | 111.5 | K270 H271 A276 R277 E278 V560 | K270-F274 WeakPolarHBondContact O-CB 3.48Å; K270-F274 PolarHBondContact O-N 3.31Å; H271-F274 PolarHBondContact O-N 3.14Å; F274-A276 VanDerWaalsContact C-N 3.27Å; F274-A276 PolarHBondContact O-N 2.91Å; F274-R277 PolarHBondContact O-N 2.96Å; F274-R277 VanDerWaalsContact O-N 3.14Å; F274-E278 HydrophobicContact CD1-CG 4.43Å; F274-E278 HydrophobicContact CD2-CG 4.05Å; F274-E278 HydrophobicContact CE1-CG 4.05Å; F274-E278 HydrophobicContact CE2-CG 3.63Å; F274-E278 HydrophobicContact CG-CG 4.42Å; F274-E278 HydrophobicContact CZ-CG 3.63Å; F274-E278 WeakPolarHBondContact O-CG 3.45Å; F274-E278 PolarHBondContact O-N 2.71Å; F274-V560 HydrophobicContact CB-CG1 4.38Å |
| 275 | L | 94.5 | Very high | 94.3 | Very high | 14 Ų | 14 | 42.9 Ų | 42.9 | 7% | 0.073 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.8 | -42.1 | 179.7 | -73.7 | 178.3 | 0 | 0 | 0 | 111.9 | V245 V246 L249 H271 A272 H279 | V245-L275 HydrophobicContact CG1-CD1 3.98Å; V246-L275 HydrophobicContact CG2-CB 3.75Å; V246-L275 HydrophobicContact CG2-CD1 4.32Å; L249-L275 HydrophobicContact CD1-CD1 3.95Å; H271-L275 WeakPolarHBondContact O-CB 3.26Å; H271-L275 WeakPolarHBondContact O-CG 3.41Å; H271-L275 PolarHBondContact O-N 2.58Å; A272-L275 PolarHBondContact O-N 2.8Å; L275-H279 WeakPolarHBondContact O-CB 3.42Å; L275-H279 PolarHBondContact O-CD2 3.29Å; L275-H279 VanDerWaalsContact O-CD2 3.32Å; L275-H279 PolarHBondContact O-N 2.85Å |
| 276 | A | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.4 | -39.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V246 A272 V273 F274 F280 Y287 T290 | V246-A276 HydrophobicContact CG1-CB 4.3Å; A272-A276 VanDerWaalsContact O-CB 3.29Å; A272-A276 WeakPolarHBondContact O-CB 3.39Å; A272-A276 PolarHBondContact O-N 2.54Å; V273-A276 PolarHBondContact O-N 3.4Å; F274-A276 VanDerWaalsContact C-N 3.27Å; F274-A276 PolarHBondContact O-N 2.91Å; A276-F280 HydrophobicContact CB-CD2 4.28Å; A276-F280 WeakPolarHBondContact O-CB 3.4Å; A276-F280 WeakPolarHBondContact O-CD2 3.47Å; A276-F280 PolarHBondContact O-N 3.13Å; A276-Y287 HydrophobicContact CB-CD2 4.32Å; A276-T290 HydrophobicContact CB-CG2 3.71Å |
| 277 | R | 94 | Very high | 94.3 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 15% | 0.147 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -50.7 | 175.7 | -174.4 | -178.4 | 64.8 | -148.6 | -1.2 | 111.8 | V273 F274 G281 Y287 N561 | V273-R277 WeakPolarHBondContact O-CB 3.46Å; V273-R277 PolarHBondContact O-N 3.45Å; F274-R277 PolarHBondContact O-N 2.96Å; F274-R277 VanDerWaalsContact O-N 3.14Å; R277-G281 WeakPolarHBondContact O-CA 3.35Å; R277-G281 PolarHBondContact O-N 3.34Å; R277-Y287 HydrophobicContact CB-CD2 3.81Å; R277-Y287 HydrophobicContact CB-CE2 3.68Å; R277-Y287 HydrophobicContact CG-CE2 4.26Å; R277-N561 PolarHBondContact NH1-OD1 3.14Å |
| 278 | E | 92.8 | Very high | 94.5 | Very high | 112 Ų | 112 | 38.7 Ų | 38.7 | 52% | 0.523 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.4 | -40.2 | -174.5 | -65.4 | -51.6 | 118.5 | 0 | 0 | 112 | F274 | F274-E278 HydrophobicContact CD1-CG 4.43Å; F274-E278 HydrophobicContact CD2-CG 4.05Å; F274-E278 HydrophobicContact CE1-CG 4.05Å; F274-E278 HydrophobicContact CE2-CG 3.63Å; F274-E278 HydrophobicContact CG-CG 4.42Å; F274-E278 HydrophobicContact CZ-CG 3.63Å; F274-E278 WeakPolarHBondContact O-CG 3.45Å; F274-E278 PolarHBondContact O-N 2.71Å |
| 279 | H | 93.4 | Very high | 94.5 | Very high | 113 Ų | 113 | 40.3 Ų | 40.3 | 52% | 0.523 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -87.8 | -31.8 | -175.4 | -75.3 | -83 | 0 | 0 | 0 | 114.5 | V242 L275 | V242-H279 HydrophobicContact CG1-CB 4.09Å; L275-H279 WeakPolarHBondContact O-CB 3.42Å; L275-H279 PolarHBondContact O-CD2 3.29Å; L275-H279 VanDerWaalsContact O-CD2 3.32Å; L275-H279 PolarHBondContact O-N 2.85Å |
| 280 | F | 92.9 | Very high | 94.6 | Very high | 63 Ų | 63 | 40.3 Ų | 40.3 | 28% | 0.276 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -112.2 | -20.9 | -175.6 | -52 | -73.9 | 0 | 0 | 0 | 113.7 | V242 K243 A276 H284 K286 | V242-F280 HydrophobicContact CG1-CE2 4.34Å; V242-F280 HydrophobicContact CG1-CZ 4.47Å; K243-F280 HydrophobicContact CB-CZ 4.12Å; A276-F280 HydrophobicContact CB-CD2 4.28Å; A276-F280 WeakPolarHBondContact O-CB 3.4Å; A276-F280 WeakPolarHBondContact O-CD2 3.47Å; A276-F280 PolarHBondContact O-N 3.13Å; F280-H284 HydrophobicContact CB-CB 3.7Å; F280-H284 AromaticContact CG-ND1 3.99Å; F280-H284 WeakPolarHBondContact O-CB 3.43Å; F280-K286 HydrophobicContact CD2-CB 3.85Å; F280-K286 HydrophobicContact CD2-CG 3.67Å; F280-K286 HydrophobicContact CE2-CB 4.26Å; F280-K286 HydrophobicContact CE2-CG 3.61Å; F280-K286 HydrophobicContact CG-CB 4.12Å; F280-K286 HydrophobicContact CG-CG 4.37Å; F280-K286 HydrophobicContact CZ-CG 4.23Å |
| 281 | G | 92.3 | Very high | 94.8 | Very high | 26 Ų | 26 | 38.8 Ų | 38.8 | 27% | 0.268 | 19% | 0.185 | S | C | . | . | trans | 92 | 156.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R277 K283 H284 | R277-G281 WeakPolarHBondContact O-CA 3.35Å; R277-G281 PolarHBondContact O-N 3.34Å; G281-K283 PolarHBondContact O-N 3.16Å; G281-K283 VanDerWaalsContact O-N 3.13Å; G281-H284 WeakPolarHBondContact O-CB 3.41Å; G281-H284 PolarHBondContact O-N 3.22Å; G281-H284 VanDerWaalsContact O-N 3.12Å | ||
| 282 | H | 91.8 | Very high | 94.9 | Very high | 118 Ų | 118 | 39.2 Ų | 39.2 | 55% | 0.546 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -9.1 | -172.8 | 63.1 | -87 | 0 | 0 | 0 | 115.4 | Y287 I317 | H282-Y287 HydrophobicContact CB-CD1 4.4Å; H282-Y287 HydrophobicContact CB-CE1 4.23Å; H282-Y287 VanDerWaalsContact O-CD1 3.32Å; H282-Y287 WeakPolarHBondContact O-CD1 3.43Å; H282-I317 VanDerWaalsContact O-CD1 3.32Å; H282-I317 WeakPolarHBondContact O-CD1 3.33Å |
| 283 | K | 90.9 | Very high | 95 | Very high | 142 Ų | 142 | 40 Ų | 40 | 62% | 0.617 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 2.5 | 175.4 | -60 | -170.3 | 178.5 | -178.3 | 0 | 113.3 | G281 I317 | G281-K283 PolarHBondContact O-N 3.16Å; G281-K283 VanDerWaalsContact O-N 3.13Å; K283-I317 WeakPolarHBondContact O-CG2 3.38Å |
| 284 | H | 92.4 | Very high | 95.1 | Very high | 66 Ų | 66 | 40.1 Ų | 40.1 | 31% | 0.306 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -82.4 | 141.4 | -174.8 | -168.9 | -89.7 | 0 | 0 | 0 | 111.1 | F280 G281 K286 Y287 S288 | F280-H284 HydrophobicContact CB-CB 3.7Å; F280-H284 AromaticContact CG-ND1 3.99Å; F280-H284 WeakPolarHBondContact O-CB 3.43Å; G281-H284 WeakPolarHBondContact O-CB 3.41Å; G281-H284 PolarHBondContact O-N 3.22Å; G281-H284 VanDerWaalsContact O-N 3.12Å; H284-K286 WeakPolarHBondContact ND1-CB 3.4Å; H284-K286 PolarHBondContact ND1-N 3.2Å; H284-K286 PolarHBondContact O-N 2.85Å; H284-K286 VanDerWaalsContact O-N 3.1Å; H284-Y287 WeakPolarHBondContact O-CB 3.24Å; H284-Y287 PolarHBondContact O-N 2.94Å; H284-S288 PolarHBondContact O-N 3.23Å |
| 285 | P | 93.7 | Very high | 95.2 | Very high | 18 Ų | 18 | 38.1 Ų | 38.1 | 12% | 0.117 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -53.8 | -34.1 | 177.5 | -30.6 | 37.8 | 0 | 0 | 0 | 114 | Y287 S288 D289 V321 F322 | P285-Y287 VanDerWaalsContact C-N 3.27Å; P285-Y287 PolarHBondContact O-N 2.96Å; P285-S288 WeakPolarHBondContact O-CB 3.5Å; P285-S288 PolarHBondContact O-N 3.49Å; P285-D289 WeakPolarHBondContact O-CB 3.48Å; P285-D289 PolarHBondContact O-N 3.31Å; P285-V321 HydrophobicContact CG-CB 4.1Å; P285-V321 HydrophobicContact CG-CG1 3.62Å; P285-V321 HydrophobicContact CG-CG2 4.05Å; P285-F322 HydrophobicContact CB-CE2 3.83Å; P285-F322 HydrophobicContact CB-CZ 3.7Å; P285-F322 HydrophobicContact CG-CE1 4.43Å; P285-F322 HydrophobicContact CG-CE2 3.91Å; P285-F322 HydrophobicContact CG-CZ 3.62Å |
| 286 | K | 95.1 | Very high | 95.4 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 6% | 0.057 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -31.9 | 176.8 | -164.6 | 55.3 | 157.6 | -161.4 | 0 | 113.8 | D247 F280 H284 D289 T290 | D247-K286 WeakPolarHBondContact OD1-CE 3.33Å; D247-K286 IonicContact OD1-NZ 2.98Å; D247-K286 PolarHBondContact OD1-NZ 2.98Å; D247-K286 IonicContact OD2-NZ 3.73Å; D247-K286 PolarHBondContact OD2-NZ 3.47Å; F280-K286 HydrophobicContact CD2-CB 3.85Å; F280-K286 HydrophobicContact CD2-CG 3.67Å; F280-K286 HydrophobicContact CE2-CB 4.26Å; F280-K286 HydrophobicContact CE2-CG 3.61Å; F280-K286 HydrophobicContact CG-CB 4.12Å; F280-K286 HydrophobicContact CG-CG 4.37Å; F280-K286 HydrophobicContact CZ-CG 4.23Å; H284-K286 WeakPolarHBondContact ND1-CB 3.4Å; H284-K286 PolarHBondContact ND1-N 3.2Å; H284-K286 PolarHBondContact O-N 2.85Å; H284-K286 VanDerWaalsContact O-N 3.1Å; K286-D289 HydrophobicContact CD-CB 4.43Å; K286-D289 VanDerWaalsContact O-CB 3.28Å; K286-D289 WeakPolarHBondContact O-CB 3.35Å; K286-T290 PolarHBondContact O-N 2.93Å |
| 287 | Y | 96.5 | Very high | 95.4 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73 | -44.9 | 173.4 | 178.4 | -119.2 | 0 | 0 | 0 | 110.5 | V273 A276 R277 H282 H284 P285 D289 T290 L291 I317 | V273-Y287 HydrophobicContact CG1-CD2 4.45Å; V273-Y287 HydrophobicContact CG1-CE2 3.64Å; A276-Y287 HydrophobicContact CB-CD2 4.32Å; R277-Y287 HydrophobicContact CB-CD2 3.81Å; R277-Y287 HydrophobicContact CB-CE2 3.68Å; R277-Y287 HydrophobicContact CG-CE2 4.26Å; H282-Y287 HydrophobicContact CB-CD1 4.4Å; H282-Y287 HydrophobicContact CB-CE1 4.23Å; H282-Y287 VanDerWaalsContact O-CD1 3.32Å; H282-Y287 WeakPolarHBondContact O-CD1 3.43Å; H284-Y287 WeakPolarHBondContact O-CB 3.24Å; H284-Y287 PolarHBondContact O-N 2.94Å; P285-Y287 VanDerWaalsContact C-N 3.27Å; P285-Y287 PolarHBondContact O-N 2.96Å; Y287-D289 VanDerWaalsContact C-N 3.26Å; Y287-D289 PolarHBondContact O-N 3.38Å; Y287-T290 PolarHBondContact O-N 3.28Å; Y287-T290 PolarHBondContact O-OG1 2.91Å; Y287-L291 HydrophobicContact CD1-CD1 4.04Å; Y287-L291 HydrophobicContact CD1-CG 4.47Å; Y287-L291 HydrophobicContact CE1-CD1 3.68Å; Y287-L291 HydrophobicContact CE1-CD2 4.44Å; Y287-L291 HydrophobicContact CE1-CG 4.2Å; Y287-L291 HydrophobicContact CE2-CD2 4.16Å; Y287-L291 HydrophobicContact CE2-CG 4.33Å; Y287-L291 WeakPolarHBondContact O-CG 3.42Å; Y287-L291 PolarHBondContact O-N 3.43Å; Y287-I317 HydrophobicContact CD1-CD1 3.76Å; Y287-I317 HydrophobicContact CE1-CD1 4.14Å |
| 288 | S | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.5 | -41.5 | 172.5 | 171.4 | 0 | 0 | 0 | 0 | 112.4 | H284 P285 T290 L291 L292 A314 R318 | H284-S288 PolarHBondContact O-N 3.23Å; P285-S288 WeakPolarHBondContact O-CB 3.5Å; P285-S288 PolarHBondContact O-N 3.49Å; S288-T290 VanDerWaalsContact C-N 3.35Å; S288-T290 PolarHBondContact O-N 3.35Å; S288-L291 WeakPolarHBondContact O-CB 3.26Å; S288-L291 PolarHBondContact O-N 3.46Å; S288-L292 PolarHBondContact O-N 2.8Å; S288-A314 PolarHBondContact OG-O 3.32Å; S288-R318 WeakPolarHBondContact OG-CD 3.42Å; S288-R318 WeakPolarHBondContact OG-CG 3.43Å; S288-R318 PolarHBondContact OG-NE 3.24Å |
| 289 | D | 97.7 | Very high | 95.5 | Very high | 34 Ų | 34 | 34.7 Ų | 34.7 | 18% | 0.182 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -52.9 | -46.3 | 172.6 | -102.3 | 22.1 | 0 | 0 | 0 | 113.5 | R250 P285 K286 Y287 D293 R318 | R250-D289 VanDerWaalsContact CZ-CB 3.47Å; R250-D289 IonicContact CZ-OD2 2.92Å; R250-D289 IonicContact NH1-OD2 3.29Å; R250-D289 PolarHBondContact NH1-OD2 3.19Å; R250-D289 PolarHBondContact NH2-O 2.96Å; R250-D289 IonicContact NH2-OD2 2.61Å; P285-D289 WeakPolarHBondContact O-CB 3.48Å; P285-D289 PolarHBondContact O-N 3.31Å; K286-D289 HydrophobicContact CD-CB 4.43Å; K286-D289 VanDerWaalsContact O-CB 3.28Å; K286-D289 WeakPolarHBondContact O-CB 3.35Å; Y287-D289 VanDerWaalsContact C-N 3.26Å; Y287-D289 PolarHBondContact O-N 3.38Å; D289-D293 PolarHBondContact O-N 3.1Å; D289-R318 IonicContact OD1-CZ 3.85Å; D289-R318 IonicContact OD1-NH2 2.8Å; D289-R318 PolarHBondContact OD1-NH2 2.87Å |
| 290 | T | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70 | -33.5 | 174.8 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | V246 R250 A272 A276 K286 Y287 S288 D293 Y294 | V246-T290 HydrophobicContact CG1-CG2 3.54Å; R250-T290 HydrophobicContact CG-CG2 3.95Å; A272-T290 HydrophobicContact CB-CG2 4.1Å; A276-T290 HydrophobicContact CB-CG2 3.71Å; K286-T290 PolarHBondContact O-N 2.93Å; Y287-T290 PolarHBondContact O-N 3.28Å; Y287-T290 PolarHBondContact O-OG1 2.91Å; S288-T290 VanDerWaalsContact C-N 3.35Å; S288-T290 PolarHBondContact O-N 3.35Å; T290-D293 PolarHBondContact O-N 3.38Å; T290-Y294 WeakPolarHBondContact O-CB 3.11Å; T290-Y294 PolarHBondContact O-N 3.04Å |
| 291 | L | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.6 | -39.4 | 176.6 | -67.9 | -179.1 | 0 | 0 | 0 | 111.7 | V273 Y287 S288 D293 Y294 G295 I310 T313 A314 I317 L557 | V273-L291 HydrophobicContact CG1-CD2 4.1Å; Y287-L291 HydrophobicContact CD1-CD1 4.04Å; Y287-L291 HydrophobicContact CD1-CG 4.47Å; Y287-L291 HydrophobicContact CE1-CD1 3.68Å; Y287-L291 HydrophobicContact CE1-CD2 4.44Å; Y287-L291 HydrophobicContact CE1-CG 4.2Å; Y287-L291 HydrophobicContact CE2-CD2 4.16Å; Y287-L291 HydrophobicContact CE2-CG 4.33Å; Y287-L291 WeakPolarHBondContact O-CG 3.42Å; Y287-L291 PolarHBondContact O-N 3.43Å; S288-L291 WeakPolarHBondContact O-CB 3.26Å; S288-L291 PolarHBondContact O-N 3.46Å; L291-D293 PolarHBondContact O-N 3.31Å; L291-Y294 CarbonylContact O-C 3.29Å; L291-Y294 PolarHBondContact O-N 3.32Å; L291-G295 PolarHBondContact O-N 3.4Å; L291-I310 HydrophobicContact CB-CG2 3.97Å; L291-I310 HydrophobicContact CD2-CD1 4.36Å; L291-I310 HydrophobicContact CD2-CG2 4.24Å; L291-I310 WeakPolarHBondContact O-CG2 3.36Å; L291-T313 HydrophobicContact CD1-CG2 3.81Å; L291-A314 HydrophobicContact CB-CB 3.83Å; L291-A314 HydrophobicContact CD1-CB 4.47Å; L291-I317 HydrophobicContact CD1-CD1 3.94Å; L291-L557 HydrophobicContact CD2-CD2 3.78Å |
| 292 | L | 98.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 29 Ų | 29 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 175.3 | -67.2 | -176.6 | 0 | 0 | 0 | 112.3 | S288 Y294 G295 F296 Y311 A314 A332 | S288-L292 PolarHBondContact O-N 2.8Å; L292-Y294 VanDerWaalsContact C-N 3.28Å; L292-Y294 PolarHBondContact O-N 3.49Å; L292-G295 PolarHBondContact O-N 3.46Å; L292-F296 PolarHBondContact O-N 3.22Å; L292-Y311 HydrophobicContact CB-CE1 4.33Å; L292-Y311 HydrophobicContact CD2-CD1 3.58Å; L292-Y311 HydrophobicContact CD2-CE1 3.9Å; L292-Y311 VanDerWaalsContact O-CE1 3.26Å; L292-Y311 WeakPolarHBondContact O-CE1 3.47Å; L292-A314 HydrophobicContact CD2-CB 3.49Å; L292-A314 VanDerWaalsContact CD2-CB 3.49Å; L292-A314 HydrophobicContact CG-CB 3.96Å; L292-A332 HydrophobicContact CD2-CB 4.19Å |
| 293 | D | 98.4 | Very high | 95.1 | Very high | 15 Ų | 15 | 25.4 Ų | 25.4 | 8% | 0.08 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.8 | -27.4 | 176.9 | -66.3 | -44.4 | 0 | 0 | 0 | 111.6 | R250 K254 I269 D289 T290 L291 F296 Y297 | R250-D293 IonicContact CZ-OD2 2.8Å; R250-D293 VanDerWaalsContact CZ-OD2 3.22Å; R250-D293 IonicContact NE-OD2 3.36Å; R250-D293 PolarHBondContact NE-OD2 2.94Å; R250-D293 IonicContact NH2-OD2 2.6Å; R250-D293 PolarHBondContact NH2-OD2 3.2Å; K254-D293 VanDerWaalsContact CD-OD1 3.27Å; K254-D293 WeakPolarHBondContact CD-OD1 3.35Å; K254-D293 WeakPolarHBondContact CE-OD1 3.3Å; K254-D293 IonicContact NZ-OD1 2.68Å; K254-D293 PolarHBondContact NZ-OD1 2.87Å; K254-D293 IonicContact NZ-OD2 3.29Å; I269-D293 HydrophobicContact CD1-CB 3.72Å; D289-D293 PolarHBondContact O-N 3.1Å; T290-D293 PolarHBondContact O-N 3.38Å; L291-D293 PolarHBondContact O-N 3.31Å; D293-F296 WeakPolarHBondContact O-CB 3.39Å; D293-F296 PolarHBondContact O-N 3.47Å; D293-Y297 PolarHBondContact O-N 3.48Å |
| 294 | Y | 97.9 | Very high | 95 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -72 | -42.3 | 172 | -172.4 | -144.2 | 0 | 0 | 0 | 112.6 | I269 K270 V273 T290 L291 L292 F296 Y297 L298 I310 A556 V560 | I269-Y294 HydrophobicContact CG1-CD2 4.08Å; I269-Y294 HydrophobicContact CG1-CG 4.29Å; I269-Y294 HydrophobicContact CG2-CD2 3.72Å; I269-Y294 HydrophobicContact CG2-CE2 4.26Å; K270-Y294 HydrophobicContact CG-CE2 4.36Å; V273-Y294 HydrophobicContact CG2-CD1 4.44Å; V273-Y294 HydrophobicContact CG2-CG 4.32Å; T290-Y294 WeakPolarHBondContact O-CB 3.11Å; T290-Y294 PolarHBondContact O-N 3.04Å; L291-Y294 CarbonylContact O-C 3.29Å; L291-Y294 PolarHBondContact O-N 3.32Å; L292-Y294 VanDerWaalsContact C-N 3.28Å; L292-Y294 PolarHBondContact O-N 3.49Å; Y294-F296 PolarHBondContact O-N 2.95Å; Y294-Y297 AromaticContact CD2-CD1 3.81Å; Y294-Y297 HydrophobicContact CD2-CD1 3.81Å; Y294-Y297 AromaticContact CE2-CD1 3.71Å; Y294-Y297 HydrophobicContact CE2-CD1 3.71Å; Y294-Y297 HydrophobicContact CE2-CE1 4.09Å; Y294-Y297 WeakPolarHBondContact O-CB 3.28Å; Y294-Y297 PolarHBondContact O-N 3.29Å; Y294-L298 HydrophobicContact CD1-CD1 4.15Å; Y294-L298 HydrophobicContact CD2-CD1 4.33Å; Y294-L298 HydrophobicContact CD2-CG 4.14Å; Y294-L298 HydrophobicContact CE1-CD1 3.97Å; Y294-L298 HydrophobicContact CE2-CD1 4.13Å; Y294-L298 HydrophobicContact CE2-CD2 4.04Å; Y294-L298 HydrophobicContact CE2-CG 3.88Å; Y294-L298 HydrophobicContact CG-CD1 4.33Å; Y294-L298 WeakPolarHBondContact O-CG 3.47Å; Y294-L298 PolarHBondContact O-N 3.47Å; Y294-I310 HydrophobicContact CD1-CD1 3.99Å; Y294-I310 HydrophobicContact CD1-CG1 4.18Å; Y294-I310 HydrophobicContact CD1-CG2 4.26Å; Y294-I310 HydrophobicContact CE1-CD1 4.11Å; Y294-I310 HydrophobicContact CE1-CG1 4.38Å; Y294-A556 HydrophobicContact CE1-CB 3.94Å; Y294-A556 PolarHBondContact OH-O 3.4Å; Y294-V560 HydrophobicContact CE1-CG2 3.92Å |
| 295 | G | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58 | -38.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L291 L292 L298 L299 S307 Y311 | L291-G295 PolarHBondContact O-N 3.4Å; L292-G295 PolarHBondContact O-N 3.46Å; G295-L298 PolarHBondContact O-N 3.04Å; G295-L299 WeakPolarHBondContact O-CB 3.41Å; G295-L299 PolarHBondContact O-N 3.37Å; G295-S307 PolarHBondContact O-OG 2.94Å; G295-Y311 VanDerWaalsContact C-CZ 3.43Å |
| 296 | F | 97.6 | Very high | 94.7 | Very high | 48 Ų | 48 | 20.9 Ų | 20.9 | 21% | 0.211 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.5 | -46 | 174.7 | 169.9 | -97.6 | 0 | 0 | 0 | 111.6 | F217 K254 V257 L292 D293 Y294 L299 N300 Y311 | F217-F296 HydrophobicContact CZ-CZ 4.26Å; K254-F296 HydrophobicContact CB-CE1 4.29Å; K254-F296 HydrophobicContact CD-CD1 4.49Å; K254-F296 HydrophobicContact CG-CD1 3.88Å; K254-F296 HydrophobicContact CG-CE1 3.89Å; V257-F296 HydrophobicContact CB-CE1 3.79Å; V257-F296 HydrophobicContact CB-CZ 4.48Å; V257-F296 HydrophobicContact CG1-CD1 4.4Å; V257-F296 HydrophobicContact CG1-CE1 3.58Å; V257-F296 HydrophobicContact CG1-CZ 3.91Å; V257-F296 HydrophobicContact CG2-CD1 4.46Å; V257-F296 HydrophobicContact CG2-CE1 4.1Å; L292-F296 PolarHBondContact O-N 3.22Å; D293-F296 WeakPolarHBondContact O-CB 3.39Å; D293-F296 PolarHBondContact O-N 3.47Å; Y294-F296 PolarHBondContact O-N 2.95Å; F296-L299 PolarHBondContact O-N 3.29Å; F296-N300 WeakPolarHBondContact CE2-ND2 3.39Å; F296-N300 PolarHBondContact O-N 3.46Å; F296-N300 PolarHBondContact O-ND2 3.2Å; F296-Y311 WeakPolarHBondContact CA-OH 3.44Å; F296-Y311 PolarHBondContact N-OH 2.95Å |
| 297 | Y | 97.4 | Very high | 94.6 | Very high | 13 Ų | 13 | 20.2 Ų | 20.2 | 5% | 0.051 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.6 | -51.7 | 173.1 | 161.9 | -93.8 | 0 | 0 | 0 | 111.1 | V257 F262 A265 E266 I269 D293 Y294 L299 N300 V301 | V257-Y297 HydrophobicContact CG2-CD2 4Å; F262-Y297 WeakPolarHBondContact O-CE2 3.4Å; A265-Y297 HydrophobicContact CB-CD2 3.83Å; A265-Y297 HydrophobicContact CB-CE2 4.09Å; E266-Y297 HydrophobicContact CB-CE1 4.28Å; E266-Y297 HydrophobicContact CB-CE2 3.75Å; E266-Y297 VanDerWaalsContact CB-OH 3.28Å; E266-Y297 WeakPolarHBondContact CB-OH 3.44Å; E266-Y297 VanDerWaalsContact CD-OH 3.24Å; E266-Y297 HydrophobicContact CG-CE1 4.03Å; E266-Y297 HydrophobicContact CG-CE2 4.39Å; E266-Y297 VanDerWaalsContact CG-OH 3.27Å; E266-Y297 WeakPolarHBondContact CG-OH 3.44Å; E266-Y297 PolarHBondContact OE2-OH 3.39Å; I269-Y297 HydrophobicContact CG2-CD1 4.18Å; I269-Y297 HydrophobicContact CG2-CG 4.04Å; D293-Y297 PolarHBondContact O-N 3.48Å; Y294-Y297 AromaticContact CD2-CD1 3.81Å; Y294-Y297 HydrophobicContact CD2-CD1 3.81Å; Y294-Y297 AromaticContact CE2-CD1 3.71Å; Y294-Y297 HydrophobicContact CE2-CD1 3.71Å; Y294-Y297 HydrophobicContact CE2-CE1 4.09Å; Y294-Y297 WeakPolarHBondContact O-CB 3.28Å; Y294-Y297 PolarHBondContact O-N 3.29Å; Y297-L299 VanDerWaalsContact C-N 3.28Å; Y297-L299 PolarHBondContact O-N 2.9Å; Y297-N300 PolarHBondContact O-N 3.48Å; Y297-V301 HydrophobicContact CD1-CG2 4.32Å; Y297-V301 HydrophobicContact CD2-CG1 4.12Å; Y297-V301 HydrophobicContact CE1-CG1 4.4Å; Y297-V301 HydrophobicContact CE1-CG2 3.79Å; Y297-V301 HydrophobicContact CE2-CG1 3.49Å; Y297-V301 VanDerWaalsContact CE2-CG1 3.49Å; Y297-V301 HydrophobicContact CE2-CG2 4.39Å; Y297-V301 WeakPolarHBondContact O-CG2 3.35Å; Y297-V301 PolarHBondContact O-N 3.3Å |
| 298 | L | 94.9 | Very high | 94.5 | Very high | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.2 | -40 | -178.5 | -72.9 | 169.5 | 0 | 0 | 0 | 112.1 | Y294 G295 N300 V301 D302 N303 Q306 I310 A556 | Y294-L298 HydrophobicContact CD1-CD1 4.15Å; Y294-L298 HydrophobicContact CD2-CD1 4.33Å; Y294-L298 HydrophobicContact CD2-CG 4.14Å; Y294-L298 HydrophobicContact CE1-CD1 3.97Å; Y294-L298 HydrophobicContact CE2-CD1 4.13Å; Y294-L298 HydrophobicContact CE2-CD2 4.04Å; Y294-L298 HydrophobicContact CE2-CG 3.88Å; Y294-L298 HydrophobicContact CG-CD1 4.33Å; Y294-L298 WeakPolarHBondContact O-CG 3.47Å; Y294-L298 PolarHBondContact O-N 3.47Å; G295-L298 PolarHBondContact O-N 3.04Å; L298-N300 VanDerWaalsContact C-N 3.33Å; L298-N300 PolarHBondContact O-N 2.86Å; L298-V301 CarbonylContact O-C 3.52Å; L298-V301 PolarHBondContact O-N 3.24Å; L298-D302 PolarHBondContact O-N 2.85Å; L298-N303 HydrophobicContact CB-CB 4.49Å; L298-N303 HydrophobicContact CD2-CB 4.07Å; L298-N303 PolarHBondContact O-N 2.88Å; L298-Q306 HydrophobicContact CD1-CB 3.99Å; L298-Q306 HydrophobicContact CD2-CB 4.45Å; L298-I310 HydrophobicContact CD1-CB 4.39Å; L298-I310 HydrophobicContact CD1-CG1 3.72Å; L298-A556 HydrophobicContact CD1-CB 4.11Å |
| 299 | L | 93.3 | Very high | 94.4 | Very high | 26 Ų | 26 | 23.2 Ų | 23.2 | 14% | 0.136 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 175.6 | -171.8 | 64 | 0 | 0 | 0 | 111.8 | G295 F296 Y297 D302 I304 Y338 V342 | G295-L299 WeakPolarHBondContact O-CB 3.41Å; G295-L299 PolarHBondContact O-N 3.37Å; F296-L299 PolarHBondContact O-N 3.29Å; Y297-L299 VanDerWaalsContact C-N 3.28Å; Y297-L299 PolarHBondContact O-N 2.9Å; L299-D302 PolarHBondContact O-N 3.43Å; L299-I304 HydrophobicContact CD1-CG1 4.28Å; L299-I304 HydrophobicContact CD1-CG2 4.47Å; L299-Y338 HydrophobicContact CD2-CD1 3.71Å; L299-Y338 HydrophobicContact CD2-CE1 3.66Å; L299-V342 HydrophobicContact CD1-CB 4.38Å; L299-V342 HydrophobicContact CD1-CG1 4.28Å |
| 300 | N | 93.6 | Very high | 94.3 | Very high | 35 Ų | 35 | 21.7 Ų | 21.7 | 19% | 0.187 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -79.4 | -21 | -178.5 | -78.5 | -96.9 | 0 | 0 | 0 | 113.8 | V257 F262 F296 Y297 L298 D302 F506 | V257-N300 HydrophobicContact CG1-CB 3.38Å; F262-N300 HydrophobicContact CE1-CB 4.25Å; F296-N300 WeakPolarHBondContact CE2-ND2 3.39Å; F296-N300 PolarHBondContact O-N 3.46Å; F296-N300 PolarHBondContact O-ND2 3.2Å; Y297-N300 PolarHBondContact O-N 3.48Å; L298-N300 VanDerWaalsContact C-N 3.33Å; L298-N300 PolarHBondContact O-N 2.86Å; N300-D302 VanDerWaalsContact C-N 3.25Å; N300-F506 WeakPolarHBondContact O-CE1 3.44Å |
| 301 | V | 91 | Very high | 94.3 | Very high | 36 Ų | 36 | 21.9 Ų | 21.9 | 22% | 0.218 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 14.5 | 167.2 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | F262 Y297 L298 N303 | F262-V301 HydrophobicContact CB-CG1 3.86Å; F262-V301 HydrophobicContact CD1-CG1 3.49Å; F262-V301 VanDerWaalsContact CD1-CG1 3.49Å; F262-V301 HydrophobicContact CE1-CG1 4.14Å; F262-V301 HydrophobicContact CG-CG1 3.72Å; Y297-V301 HydrophobicContact CD1-CG2 4.32Å; Y297-V301 HydrophobicContact CD2-CG1 4.12Å; Y297-V301 HydrophobicContact CE1-CG1 4.4Å; Y297-V301 HydrophobicContact CE1-CG2 3.79Å; Y297-V301 HydrophobicContact CE2-CG1 3.49Å; Y297-V301 VanDerWaalsContact CE2-CG1 3.49Å; Y297-V301 HydrophobicContact CE2-CG2 4.39Å; Y297-V301 WeakPolarHBondContact O-CG2 3.35Å; Y297-V301 PolarHBondContact O-N 3.3Å; L298-V301 CarbonylContact O-C 3.52Å; L298-V301 PolarHBondContact O-N 3.24Å; V301-N303 HydrophobicContact CG2-CB 4.44Å; V301-N303 PolarHBondContact O-N 3.41Å |
| 302 | D | 88.3 | Confident | 94.3 | Very high | 11 Ų | 11 | 24.9 Ų | 24.9 | 6% | 0.059 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 23.5 | 169.4 | -162.3 | 10.4 | 0 | 0 | 0 | 114.4 | L298 L299 N300 I304 Y510 S511 R547 F551 | L298-D302 PolarHBondContact O-N 2.85Å; L299-D302 PolarHBondContact O-N 3.43Å; N300-D302 VanDerWaalsContact C-N 3.25Å; D302-I304 PolarHBondContact O-N 3.27Å; D302-Y510 HydrophobicContact CB-CD2 4.36Å; D302-Y510 VanDerWaalsContact OD2-CD2 3.32Å; D302-Y510 WeakPolarHBondContact OD2-CD2 3.49Å; D302-S511 WeakPolarHBondContact OD1-CB 3.19Å; D302-S511 PolarHBondContact OD1-OG 3.15Å; D302-S511 WeakPolarHBondContact OD2-CB 3.38Å; D302-S511 PolarHBondContact OD2-N 3.24Å; D302-S511 PolarHBondContact OD2-OG 3.45Å; D302-S511 VanDerWaalsContact OD2-OG 3.09Å; D302-R547 IonicContact OD1-CZ 2.65Å; D302-R547 IonicContact OD1-NH1 3.49Å; D302-R547 PolarHBondContact OD1-NH1 3.41Å; D302-R547 IonicContact OD1-NH2 3.37Å; D302-R547 IonicContact OD2-CZ 2.75Å; D302-R547 IonicContact OD2-NH1 2.6Å; D302-R547 PolarHBondContact OD2-NH1 3.49Å; D302-F551 HydrophobicContact CB-CZ 4.48Å; D302-F551 VanDerWaalsContact O-CE1 3.28Å; D302-F551 WeakPolarHBondContact O-CE1 3.4Å; D302-F551 WeakPolarHBondContact O-CZ 3.19Å |
| 303 | N | 89 | Confident | 94.2 | Very high | 43 Ų | 43 | 26.6 Ų | 26.6 | 23% | 0.23 | 15% | 0.15 | C | C | . | . | trans | -96.2 | 66.1 | 171.3 | -166 | -12 | 0 | 0 | 0 | 110.8 | L298 V301 C305 Q306 S307 F551 | L298-N303 HydrophobicContact CB-CB 4.49Å; L298-N303 HydrophobicContact CD2-CB 4.07Å; L298-N303 PolarHBondContact O-N 2.88Å; V301-N303 HydrophobicContact CG2-CB 4.44Å; V301-N303 PolarHBondContact O-N 3.41Å; N303-C305 PolarHBondContact O-N 2.91Å; N303-Q306 PolarHBondContact O-N 2.98Å; N303-Q306 WeakPolarHBondContact OD1-CB 3.35Å; N303-Q306 VanDerWaalsContact OD1-CG 3.26Å; N303-Q306 WeakPolarHBondContact OD1-CG 3.27Å; N303-S307 PolarHBondContact O-N 2.95Å; N303-F551 HydrophobicContact CB-CD1 4.23Å; N303-F551 HydrophobicContact CB-CE1 3.86Å | ||
| 304 | I | 88.4 | Confident | 94.2 | Very high | 22 Ų | 22 | 25.9 Ų | 25.9 | 11% | 0.113 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.2 | -40.7 | -168.5 | -57.2 | 154 | 0 | 0 | 0 | 112.1 | L299 D302 Q306 S307 V308 V342 H343 | L299-I304 HydrophobicContact CD1-CG1 4.28Å; L299-I304 HydrophobicContact CD1-CG2 4.47Å; D302-I304 PolarHBondContact O-N 3.27Å; I304-Q306 VanDerWaalsContact C-N 3.35Å; I304-Q306 PolarHBondContact O-N 2.85Å; I304-S307 WeakPolarHBondContact O-CB 3.4Å; I304-S307 PolarHBondContact O-N 3.44Å; I304-S307 VanDerWaalsContact O-N 3.15Å; I304-V308 PolarHBondContact O-N 3.12Å; I304-V342 HydrophobicContact CD1-CG1 3.69Å; I304-V342 HydrophobicContact CG1-CG1 3.97Å; I304-V342 HydrophobicContact CG2-CB 4.42Å; I304-V342 HydrophobicContact CG2-CG1 4.17Å; I304-H343 HydrophobicContact CG2-CB 3.61Å |
| 305 | C | 88.5 | Confident | 94.2 | Very high | 76 Ų | 76 | 25.8 Ų | 25.8 | 51% | 0.514 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61 | -44.6 | -178.4 | -61 | 0 | 0 | 0 | 0 | 111.7 | N303 V308 A309 H343 | N303-C305 PolarHBondContact O-N 2.91Å; C305-V308 PolarHBondContact O-N 2.98Å; C305-A309 PolarHBondContact O-N 3.12Å; C305-H343 PolarHBondContact SG-CE1 2.94Å |
| 306 | Q | 90.7 | Very high | 94.1 | Very high | 33 Ų | 33 | 29.5 Ų | 29.5 | 15% | 0.154 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.3 | -37 | 176.3 | -65.5 | -61.3 | -39.3 | 0 | 0 | 111.3 | L298 N303 I304 V308 A309 I310 A554 A556 | L298-Q306 HydrophobicContact CD1-CB 3.99Å; L298-Q306 HydrophobicContact CD2-CB 4.45Å; N303-Q306 PolarHBondContact O-N 2.98Å; N303-Q306 WeakPolarHBondContact OD1-CB 3.35Å; N303-Q306 VanDerWaalsContact OD1-CG 3.26Å; N303-Q306 WeakPolarHBondContact OD1-CG 3.27Å; I304-Q306 VanDerWaalsContact C-N 3.35Å; I304-Q306 PolarHBondContact O-N 2.85Å; Q306-V308 VanDerWaalsContact C-N 3.34Å; Q306-V308 PolarHBondContact O-N 3.23Å; Q306-A309 PolarHBondContact O-N 3.36Å; Q306-I310 WeakPolarHBondContact O-CB 3.49Å; Q306-I310 VanDerWaalsContact O-CG1 3.24Å; Q306-I310 WeakPolarHBondContact O-CG1 3.41Å; Q306-I310 PolarHBondContact O-N 3.41Å; Q306-A554 VanDerWaalsContact CD-O 3.28Å; Q306-A554 PolarHBondContact NE2-O 3.15Å; Q306-A554 VanDerWaalsContact NE2-O 3.15Å; Q306-A556 HydrophobicContact CB-CB 3.94Å; Q306-A556 HydrophobicContact CG-CB 4.11Å |
| 307 | S | 94.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.2 | -47.8 | 174.1 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | G295 N303 I304 A309 I310 Y311 S339 | G295-S307 PolarHBondContact O-OG 2.94Å; N303-S307 PolarHBondContact O-N 2.95Å; I304-S307 WeakPolarHBondContact O-CB 3.4Å; I304-S307 PolarHBondContact O-N 3.44Å; I304-S307 VanDerWaalsContact O-N 3.15Å; S307-A309 PolarHBondContact O-N 3.08Å; S307-I310 PolarHBondContact O-N 3.4Å; S307-Y311 WeakPolarHBondContact O-CB 3.43Å; S307-Y311 WeakPolarHBondContact O-CD2 3.29Å; S307-Y311 PolarHBondContact O-N 3.21Å; S307-Y311 WeakPolarHBondContact OG-CD2 3.33Å; S307-Y311 WeakPolarHBondContact OG-CE2 3.46Å; S307-S339 WeakPolarHBondContact CB-OG 2.93Å; S307-S339 PolarHBondContact OG-OG 2.91Å |
| 308 | V | 94.1 | Very high | 94 | Very high | 28 Ų | 28 | 27.9 Ų | 27.9 | 17% | 0.17 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.6 | -47 | 177.1 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | I304 C305 Q306 I310 Y311 Q312 L336 S339 H343 | I304-V308 PolarHBondContact O-N 3.12Å; C305-V308 PolarHBondContact O-N 2.98Å; Q306-V308 VanDerWaalsContact C-N 3.34Å; Q306-V308 PolarHBondContact O-N 3.23Å; V308-I310 PolarHBondContact O-N 2.72Å; V308-Y311 PolarHBondContact O-N 3.45Å; V308-Q312 WeakPolarHBondContact O-CB 3.46Å; V308-Q312 PolarHBondContact O-N 2.92Å; V308-L336 HydrophobicContact CG1-CD1 3.96Å; V308-S339 WeakPolarHBondContact CG2-OG 3.41Å; V308-S339 PolarHBondContact N-OG 2.86Å; V308-H343 HydrophobicContact CG2-CB 3.95Å |
| 309 | A | 94.4 | Very high | 94 | Very high | 47 Ų | 47 | 31.2 Ų | 31.2 | 39% | 0.388 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.6 | -41.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | C305 Q306 S307 Q312 T313 | C305-A309 PolarHBondContact O-N 3.12Å; Q306-A309 PolarHBondContact O-N 3.36Å; S307-A309 PolarHBondContact O-N 3.08Å; A309-Q312 PolarHBondContact O-N 3.07Å; A309-T313 PolarHBondContact O-N 3.31Å; A309-T313 PolarHBondContact O-OG1 3.09Å |
| 310 | I | 96.1 | Very high | 94 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -44.3 | 176.7 | -68.1 | -65.6 | 0 | 0 | 0 | 111.1 | L291 Y294 L298 Q306 S307 V308 Q312 T313 A314 A556 L557 | L291-I310 HydrophobicContact CB-CG2 3.97Å; L291-I310 HydrophobicContact CD2-CD1 4.36Å; L291-I310 HydrophobicContact CD2-CG2 4.24Å; L291-I310 WeakPolarHBondContact O-CG2 3.36Å; Y294-I310 HydrophobicContact CD1-CD1 3.99Å; Y294-I310 HydrophobicContact CD1-CG1 4.18Å; Y294-I310 HydrophobicContact CD1-CG2 4.26Å; Y294-I310 HydrophobicContact CE1-CD1 4.11Å; Y294-I310 HydrophobicContact CE1-CG1 4.38Å; L298-I310 HydrophobicContact CD1-CB 4.39Å; L298-I310 HydrophobicContact CD1-CG1 3.72Å; Q306-I310 WeakPolarHBondContact O-CB 3.49Å; Q306-I310 VanDerWaalsContact O-CG1 3.24Å; Q306-I310 WeakPolarHBondContact O-CG1 3.41Å; Q306-I310 PolarHBondContact O-N 3.41Å; S307-I310 PolarHBondContact O-N 3.4Å; V308-I310 PolarHBondContact O-N 2.72Å; I310-Q312 VanDerWaalsContact C-N 3.35Å; I310-Q312 PolarHBondContact O-N 3.2Å; I310-T313 PolarHBondContact O-N 3.46Å; I310-A314 WeakPolarHBondContact O-CB 3.18Å; I310-A314 PolarHBondContact O-N 3.43Å; I310-A556 HydrophobicContact CD1-CB 4.32Å; I310-A556 HydrophobicContact CG1-CB 4.36Å; I310-L557 HydrophobicContact CD1-CD1 4.15Å; I310-L557 HydrophobicContact CD1-CD2 3.32Å; I310-L557 HydrophobicContact CD1-CG 3.46Å; I310-L557 VanDerWaalsContact CD1-CG 3.46Å |
| 311 | Y | 98.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 2% | 0.02 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 176.4 | -78.9 | -51.1 | 0 | 0 | 0 | 112.5 | L292 G295 F296 S307 V308 A314 L315 D335 | L292-Y311 HydrophobicContact CB-CE1 4.33Å; L292-Y311 HydrophobicContact CD2-CD1 3.58Å; L292-Y311 HydrophobicContact CD2-CE1 3.9Å; L292-Y311 VanDerWaalsContact O-CE1 3.26Å; L292-Y311 WeakPolarHBondContact O-CE1 3.47Å; G295-Y311 VanDerWaalsContact C-CZ 3.43Å; F296-Y311 WeakPolarHBondContact CA-OH 3.44Å; F296-Y311 PolarHBondContact N-OH 2.95Å; S307-Y311 WeakPolarHBondContact O-CB 3.43Å; S307-Y311 WeakPolarHBondContact O-CD2 3.29Å; S307-Y311 PolarHBondContact O-N 3.21Å; S307-Y311 WeakPolarHBondContact OG-CD2 3.33Å; S307-Y311 WeakPolarHBondContact OG-CE2 3.46Å; V308-Y311 PolarHBondContact O-N 3.45Å; Y311-A314 PolarHBondContact O-N 2.95Å; Y311-L315 WeakPolarHBondContact O-CB 3.47Å; Y311-L315 PolarHBondContact O-N 3.45Å; Y311-D335 HydrophobicContact CD1-CB 3.69Å; Y311-D335 HydrophobicContact CE1-CB 3.46Å; Y311-D335 VanDerWaalsContact CE1-CB 3.46Å; Y311-D335 HydrophobicContact CE2-CB 4.42Å; Y311-D335 HydrophobicContact CG-CB 4.31Å |
| 312 | Q | 97.7 | Very high | 94 | Very high | 63 Ų | 63 | 30.1 Ų | 30.1 | 29% | 0.294 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 173.5 | -175.8 | 63.8 | 60.8 | 0 | 0 | 111.2 | V308 A309 I310 A314 L315 D316 | V308-Q312 WeakPolarHBondContact O-CB 3.46Å; V308-Q312 PolarHBondContact O-N 2.92Å; A309-Q312 PolarHBondContact O-N 3.07Å; I310-Q312 VanDerWaalsContact C-N 3.35Å; I310-Q312 PolarHBondContact O-N 3.2Å; Q312-A314 VanDerWaalsContact C-N 3.31Å; Q312-A314 PolarHBondContact O-N 2.81Å; Q312-L315 WeakPolarHBondContact O-CB 3.35Å; Q312-L315 PolarHBondContact O-N 3.44Å; Q312-D316 PolarHBondContact NE2-OD1 2.99Å; Q312-D316 PolarHBondContact O-N 3.35Å |
| 313 | T | 97.1 | Very high | 94 | Very high | 45 Ų | 45 | 30.5 Ų | 30.5 | 28% | 0.276 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 177.5 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | L291 A309 I310 L315 D316 I317 | L291-T313 HydrophobicContact CD1-CG2 3.81Å; A309-T313 PolarHBondContact O-N 3.31Å; A309-T313 PolarHBondContact O-OG1 3.09Å; I310-T313 PolarHBondContact O-N 3.46Å; T313-L315 VanDerWaalsContact C-N 3.34Å; T313-L315 PolarHBondContact O-N 2.76Å; T313-D316 PolarHBondContact O-N 3.04Å; T313-I317 HydrophobicContact CG2-CD1 4.27Å; T313-I317 WeakPolarHBondContact O-CG1 3.39Å; T313-I317 PolarHBondContact O-N 3.34Å; T313-I317 VanDerWaalsContact O-N 3.15Å |
| 314 | A | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -40.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S288 L291 L292 I310 Y311 Q312 R318 | S288-A314 PolarHBondContact OG-O 3.32Å; L291-A314 HydrophobicContact CB-CB 3.83Å; L291-A314 HydrophobicContact CD1-CB 4.47Å; L292-A314 HydrophobicContact CD2-CB 3.49Å; L292-A314 VanDerWaalsContact CD2-CB 3.49Å; L292-A314 HydrophobicContact CG-CB 3.96Å; I310-A314 WeakPolarHBondContact O-CB 3.18Å; I310-A314 PolarHBondContact O-N 3.43Å; Y311-A314 PolarHBondContact O-N 2.95Å; Q312-A314 VanDerWaalsContact C-N 3.31Å; Q312-A314 PolarHBondContact O-N 2.81Å; A314-R318 PolarHBondContact O-N 3.43Å; A314-R318 VanDerWaalsContact O-N 3.11Å |
| 315 | L | 97.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.1 | -47.5 | 175.6 | 174.6 | 62.7 | 0 | 0 | 0 | 111.5 | Y311 Q312 T313 I317 R318 Q319 V329 A332 H333 L336 | Y311-L315 WeakPolarHBondContact O-CB 3.47Å; Y311-L315 PolarHBondContact O-N 3.45Å; Q312-L315 WeakPolarHBondContact O-CB 3.35Å; Q312-L315 PolarHBondContact O-N 3.44Å; T313-L315 VanDerWaalsContact C-N 3.34Å; T313-L315 PolarHBondContact O-N 2.76Å; L315-I317 VanDerWaalsContact C-N 3.29Å; L315-I317 PolarHBondContact O-N 2.73Å; L315-R318 PolarHBondContact O-N 3.33Å; L315-Q319 HydrophobicContact CD1-CG 3.94Å; L315-Q319 HydrophobicContact CG-CG 4.35Å; L315-Q319 WeakPolarHBondContact O-CG 3.45Å; L315-Q319 PolarHBondContact O-N 3.07Å; L315-V329 HydrophobicContact CD1-CG1 4.18Å; L315-A332 HydrophobicContact CB-CB 4.1Å; L315-A332 HydrophobicContact CD1-CB 3.84Å; L315-H333 WeakPolarHBondContact CD2-ND1 3.43Å; L315-L336 HydrophobicContact CD2-CD2 3.65Å |
| 316 | D | 96.8 | Very high | 94.1 | Very high | 78 Ų | 78 | 28.8 Ų | 28.8 | 42% | 0.417 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.2 | -43.2 | 180 | -65.8 | -14.3 | 0 | 0 | 0 | 111.1 | Q312 T313 Q319 S320 | Q312-D316 PolarHBondContact NE2-OD1 2.99Å; Q312-D316 PolarHBondContact O-N 3.35Å; T313-D316 PolarHBondContact O-N 3.04Å; D316-Q319 PolarHBondContact O-N 3.49Å; D316-S320 WeakPolarHBondContact O-CB 3.28Å; D316-S320 PolarHBondContact O-N 3.5Å |
| 317 | I | 95.7 | Very high | 94.4 | Very high | 15 Ų | 15 | 27.5 Ų | 27.5 | 8% | 0.077 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -48.7 | 174.5 | -66 | 163 | 0 | 0 | 0 | 110.3 | H282 K283 Y287 L291 T313 L315 Q319 S320 V321 | H282-I317 VanDerWaalsContact O-CD1 3.32Å; H282-I317 WeakPolarHBondContact O-CD1 3.33Å; K283-I317 WeakPolarHBondContact O-CG2 3.38Å; Y287-I317 HydrophobicContact CD1-CD1 3.76Å; Y287-I317 HydrophobicContact CE1-CD1 4.14Å; L291-I317 HydrophobicContact CD1-CD1 3.94Å; T313-I317 HydrophobicContact CG2-CD1 4.27Å; T313-I317 WeakPolarHBondContact O-CG1 3.39Å; T313-I317 PolarHBondContact O-N 3.34Å; T313-I317 VanDerWaalsContact O-N 3.15Å; L315-I317 VanDerWaalsContact C-N 3.29Å; L315-I317 PolarHBondContact O-N 2.73Å; I317-Q319 PolarHBondContact O-N 2.97Å; I317-S320 PolarHBondContact O-N 3.44Å; I317-S320 PolarHBondContact O-OG 3.21Å; I317-V321 WeakPolarHBondContact O-CG2 3.46Å; I317-V321 PolarHBondContact O-N 3.5Å; I317-V321 VanDerWaalsContact O-N 3.07Å |
| 318 | R | 96.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 28.3 Ų | 28.3 | 5% | 0.045 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -40.7 | -178.6 | -83.4 | 171.3 | 171 | -149.1 | 0.9 | 112.3 | S288 D289 A314 L315 S320 V321 F322 H328 V329 | S288-R318 WeakPolarHBondContact OG-CD 3.42Å; S288-R318 WeakPolarHBondContact OG-CG 3.43Å; S288-R318 PolarHBondContact OG-NE 3.24Å; D289-R318 IonicContact OD1-CZ 3.85Å; D289-R318 IonicContact OD1-NH2 2.8Å; D289-R318 PolarHBondContact OD1-NH2 2.87Å; A314-R318 PolarHBondContact O-N 3.43Å; A314-R318 VanDerWaalsContact O-N 3.11Å; L315-R318 PolarHBondContact O-N 3.33Å; R318-S320 VanDerWaalsContact C-N 3.35Å; R318-V321 PolarHBondContact O-N 3.1Å; R318-F322 HydrophobicContact CB-CD2 4.29Å; R318-F322 HydrophobicContact CG-CD2 4.19Å; R318-F322 HydrophobicContact CG-CE2 4.3Å; R318-F322 WeakPolarHBondContact O-CA 3.4Å; R318-F322 WeakPolarHBondContact O-CB 3.25Å; R318-F322 PolarHBondContact O-N 3.14Å; R318-H328 WeakPolarHBondContact CD-O 3.45Å; R318-H328 HydrophobicContact CG-CB 4.38Å; R318-H328 PolarHBondContact NH1-O 3.44Å; R318-V329 HydrophobicContact CB-CG2 4.13Å |
| 319 | Q | 95.4 | Very high | 94.6 | Very high | 76 Ų | 76 | 27 Ų | 27 | 36% | 0.355 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 174.9 | -72.6 | -179.3 | -26.3 | 0 | 0 | 111.6 | L315 D316 I317 V321 G323 V329 H333 | L315-Q319 HydrophobicContact CD1-CG 3.94Å; L315-Q319 HydrophobicContact CG-CG 4.35Å; L315-Q319 WeakPolarHBondContact O-CG 3.45Å; L315-Q319 PolarHBondContact O-N 3.07Å; D316-Q319 PolarHBondContact O-N 3.49Å; I317-Q319 PolarHBondContact O-N 2.97Å; Q319-V321 VanDerWaalsContact C-N 3.33Å; Q319-V321 PolarHBondContact O-N 3.03Å; Q319-G323 VanDerWaalsContact O-CA 3.32Å; Q319-G323 WeakPolarHBondContact O-CA 3.46Å; Q319-G323 PolarHBondContact O-N 2.87Å; Q319-V329 HydrophobicContact CG-CG1 3.89Å; Q319-V329 HydrophobicContact CG-CG2 4.5Å; Q319-H333 PolarHBondContact NE2-NE2 2.9Å |
| 320 | S | 92.9 | Very high | 94.8 | Very high | 64 Ų | 64 | 24.8 Ų | 24.8 | 45% | 0.448 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.6 | -37.5 | 178 | 78.6 | 0 | 0 | 0 | 0 | 112.8 | H81 D316 I317 R318 | H81-S320 PolarHBondContact ND1-O 3.22Å; D316-S320 WeakPolarHBondContact O-CB 3.28Å; D316-S320 PolarHBondContact O-N 3.5Å; I317-S320 PolarHBondContact O-N 3.44Å; I317-S320 PolarHBondContact O-OG 3.21Å; R318-S320 VanDerWaalsContact C-N 3.35Å |
| 321 | V | 91.8 | Very high | 94.8 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.036 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -88.2 | -44.6 | -176.9 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | H80 H81 P285 I317 R318 Q319 | H80-V321 CarbonylContact C-O 3.59Å; H80-V321 HydrophobicContact CB-CG1 3.76Å; H81-V321 WeakPolarHBondContact CA-O 3.41Å; H81-V321 PolarHBondContact N-O 2.89Å; P285-V321 HydrophobicContact CG-CB 4.1Å; P285-V321 HydrophobicContact CG-CG1 3.62Å; P285-V321 HydrophobicContact CG-CG2 4.05Å; I317-V321 WeakPolarHBondContact O-CG2 3.46Å; I317-V321 PolarHBondContact O-N 3.5Å; I317-V321 VanDerWaalsContact O-N 3.07Å; R318-V321 PolarHBondContact O-N 3.1Å; Q319-V321 VanDerWaalsContact C-N 3.33Å; Q319-V321 PolarHBondContact O-N 3.03Å |
| 322 | F | 93.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -108.7 | 5.9 | -170.3 | -55.9 | -62.7 | 0 | 0 | 0 | 114.1 | H80 Q84 D132 P285 R318 N326 H328 V329 | H80-F322 HydrophobicContact CB-CD1 4.16Å; H80-F322 HydrophobicContact CB-CE1 4.2Å; H80-F322 AromaticContact CG-CE1 3.91Å; H80-F322 AromaticContact ND1-CE1 3.83Å; Q84-F322 WeakPolarHBondContact CB-O 3.48Å; Q84-F322 WeakPolarHBondContact CG-O 3.47Å; Q84-F322 PolarHBondContact OE1-O 2.77Å; D132-F322 WeakPolarHBondContact O-CE1 3.5Å; D132-F322 WeakPolarHBondContact O-CZ 3.36Å; P285-F322 HydrophobicContact CB-CE2 3.83Å; P285-F322 HydrophobicContact CB-CZ 3.7Å; P285-F322 HydrophobicContact CG-CE1 4.43Å; P285-F322 HydrophobicContact CG-CE2 3.91Å; P285-F322 HydrophobicContact CG-CZ 3.62Å; R318-F322 HydrophobicContact CB-CD2 4.29Å; R318-F322 HydrophobicContact CG-CD2 4.19Å; R318-F322 HydrophobicContact CG-CE2 4.3Å; R318-F322 WeakPolarHBondContact O-CA 3.4Å; R318-F322 WeakPolarHBondContact O-CB 3.25Å; R318-F322 PolarHBondContact O-N 3.14Å; F322-N326 HydrophobicContact CB-CB 3.84Å; F322-H328 HydrophobicContact CD2-CB 3.94Å; F322-H328 HydrophobicContact CE2-CB 4.02Å; F322-H328 AromaticContact CE2-CD2 3.82Å; F322-H328 AromaticContact CZ-CD2 3.87Å; F322-V329 HydrophobicContact CB-CG2 4.13Å |
| 323 | G | 86.9 | Confident | 94.9 | Very high | 19 Ų | 19 | 24 Ų | 24 | 20% | 0.196 | 14% | 0.143 | C | C | . | . | trans | 65.7 | -143.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q319 V329 | Q319-G323 VanDerWaalsContact O-CA 3.32Å; Q319-G323 WeakPolarHBondContact O-CA 3.46Å; Q319-G323 PolarHBondContact O-N 2.87Å; G323-V329 WeakPolarHBondContact O-CG2 3.21Å | ||
| 324 | G | 79.9 | Confident | 94.9 | Very high | 39 Ų | 39 | 22.9 Ų | 22.9 | 40% | 0.402 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -93.8 | -58.7 | -169 | 0 | 0 | 0 | 0 | 0 | 114.9 | N326 I363 | G324-N326 PolarHBondContact O-N 3.07Å; G324-I363 VanDerWaalsContact O-CD1 3.26Å; G324-I363 WeakPolarHBondContact O-CD1 3.3Å |
| 325 | K | 92.8 | Very high | 94.9 | Very high | 66 Ų | 66 | 24.8 Ų | 24.8 | 29% | 0.287 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -97.3 | 68 | -170.2 | -60.7 | 171.2 | 167.1 | -173.3 | 0 | 111.9 | Q84 D88 H366 I367 | Q84-K325 PolarHBondContact NE2-O 3.45Å; D88-K325 WeakPolarHBondContact OD1-CB 3.43Å; K325-H366 PolarHBondContact NZ-CE1 2.95Å; K325-H366 PolarHBondContact NZ-NE2 2.63Å; K325-I367 HydrophobicContact CB-CG2 4.48Å |
| 326 | N | 96.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | trans | -127.7 | 144.4 | -179.4 | -169.1 | -79.7 | 0 | 0 | 0 | 111.6 | Q84 A133 F322 G324 H328 V329 A330 I363 | Q84-N326 PolarHBondContact OE1-ND2 3.37Å; A133-N326 PolarHBondContact O-ND2 2.89Å; F322-N326 HydrophobicContact CB-CB 3.84Å; G324-N326 PolarHBondContact O-N 3.07Å; N326-H328 VanDerWaalsContact C-N 3.26Å; N326-H328 PolarHBondContact O-N 3.15Å; N326-H328 WeakPolarHBondContact OD1-CB 3.32Å; N326-H328 PolarHBondContact OD1-CD2 3.4Å; N326-H328 PolarHBondContact OD1-N 3.12Å; N326-V329 HydrophobicContact CB-CB 4.36Å; N326-V329 HydrophobicContact CB-CG2 4.01Å; N326-V329 WeakPolarHBondContact O-CB 3.36Å; N326-V329 PolarHBondContact O-N 3.49Å; N326-V329 VanDerWaalsContact O-N 3.07Å; N326-A330 PolarHBondContact O-N 2.91Å; N326-I363 WeakPolarHBondContact O-CG2 3.47Å | ||
| 327 | I | 95.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.3 | -37.4 | -179.9 | -156.3 | 170.4 | 0 | 0 | 0 | 112.4 | G134 Y136 V329 A330 T331 I367 L368 L374 | G134-I327 WeakPolarHBondContact O-CG2 3.47Å; Y136-I327 HydrophobicContact CD2-CD1 4Å; Y136-I327 HydrophobicContact CE2-CD1 3.92Å; Y136-I327 HydrophobicContact CE2-CG2 4.21Å; I327-V329 VanDerWaalsContact C-N 3.34Å; I327-V329 PolarHBondContact O-N 3.15Å; I327-A330 PolarHBondContact O-N 3.02Å; I327-T331 PolarHBondContact O-N 2.65Å; I327-T331 PolarHBondContact O-OG1 3.14Å; I327-T331 VanDerWaalsContact O-OG1 3.07Å; I327-I367 HydrophobicContact CB-CD1 3.8Å; I327-I367 HydrophobicContact CG1-CD1 4.32Å; I327-L368 HydrophobicContact CD1-CD1 3.83Å; I327-L368 HydrophobicContact CG1-CD1 4.32Å; I327-L374 HydrophobicContact CD1-CD1 3.47Å; I327-L374 VanDerWaalsContact CD1-CD1 3.47Å; I327-L374 HydrophobicContact CG1-CD1 3.81Å |
| 328 | H | 97.1 | Very high | 95 | Very high | 17 Ų | 17 | 24.4 Ų | 24.4 | 8% | 0.079 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.4 | -39.7 | 178 | -62.1 | -60.8 | 0 | 0 | 0 | 111 | D132 G134 Y136 R318 F322 N326 T331 A332 | D132-H328 PolarHBondContact O-NE2 2.91Å; G134-H328 VanDerWaalsContact CA-NE2 3.35Å; G134-H328 WeakPolarHBondContact CA-NE2 3.48Å; G134-H328 PolarHBondContact N-NE2 3.49Å; Y136-H328 PolarHBondContact OH-CE1 3.49Å; R318-H328 WeakPolarHBondContact CD-O 3.45Å; R318-H328 HydrophobicContact CG-CB 4.38Å; R318-H328 PolarHBondContact NH1-O 3.44Å; F322-H328 HydrophobicContact CD2-CB 3.94Å; F322-H328 HydrophobicContact CE2-CB 4.02Å; F322-H328 AromaticContact CE2-CD2 3.82Å; F322-H328 AromaticContact CZ-CD2 3.87Å; N326-H328 VanDerWaalsContact C-N 3.26Å; N326-H328 PolarHBondContact O-N 3.15Å; N326-H328 WeakPolarHBondContact OD1-CB 3.32Å; N326-H328 PolarHBondContact OD1-CD2 3.4Å; N326-H328 PolarHBondContact OD1-N 3.12Å; H328-T331 PolarHBondContact O-N 3.44Å; H328-A332 PolarHBondContact O-N 3.42Å; H328-A332 VanDerWaalsContact O-N 3.09Å |
| 329 | V | 97.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.8 | -41.3 | 176.8 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | L315 R318 Q319 F322 G323 N326 I327 A332 H333 I363 | L315-V329 HydrophobicContact CD1-CG1 4.18Å; R318-V329 HydrophobicContact CB-CG2 4.13Å; Q319-V329 HydrophobicContact CG-CG1 3.89Å; Q319-V329 HydrophobicContact CG-CG2 4.5Å; F322-V329 HydrophobicContact CB-CG2 4.13Å; G323-V329 WeakPolarHBondContact O-CG2 3.21Å; N326-V329 HydrophobicContact CB-CB 4.36Å; N326-V329 HydrophobicContact CB-CG2 4.01Å; N326-V329 WeakPolarHBondContact O-CB 3.36Å; N326-V329 PolarHBondContact O-N 3.49Å; N326-V329 VanDerWaalsContact O-N 3.07Å; I327-V329 VanDerWaalsContact C-N 3.34Å; I327-V329 PolarHBondContact O-N 3.15Å; V329-A332 PolarHBondContact O-N 3.12Å; V329-H333 PolarHBondContact O-CD2 3.49Å; V329-H333 PolarHBondContact O-N 2.68Å; V329-I363 HydrophobicContact CG1-CD1 4.01Å |
| 330 | A | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.9 | -46 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | N326 I327 A332 H333 E334 A360 I363 I364 | N326-A330 PolarHBondContact O-N 2.91Å; I327-A330 PolarHBondContact O-N 3.02Å; A330-A332 VanDerWaalsContact C-N 3.32Å; A330-A332 PolarHBondContact O-N 3.12Å; A330-H333 WeakPolarHBondContact O-CB 3.21Å; A330-H333 PolarHBondContact O-N 3.36Å; A330-E334 PolarHBondContact O-N 2.9Å; A330-A360 WeakPolarHBondContact O-CB 3.39Å; A330-I363 HydrophobicContact CB-CB 3.92Å; A330-I363 HydrophobicContact CB-CD1 4.41Å; A330-I363 HydrophobicContact CB-CG2 3.77Å; A330-I364 HydrophobicContact CB-CD1 4.15Å; A330-I364 HydrophobicContact CB-CG1 3.67Å |
| 331 | T | 96.7 | Very high | 95 | Very high | 45 Ų | 45 | 17.8 Ų | 17.8 | 28% | 0.276 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | I327 H328 H333 E334 D335 | I327-T331 PolarHBondContact O-N 2.65Å; I327-T331 PolarHBondContact O-OG1 3.14Å; I327-T331 VanDerWaalsContact O-OG1 3.07Å; H328-T331 PolarHBondContact O-N 3.44Å; T331-H333 VanDerWaalsContact C-N 3.34Å; T331-H333 PolarHBondContact O-N 2.94Å; T331-E334 PolarHBondContact O-N 3.34Å; T331-D335 PolarHBondContact O-N 3.43Å |
| 332 | A | 98 | Very high | 95 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.4 | -36.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L292 L315 H328 V329 A330 L336 | L292-A332 HydrophobicContact CD2-CB 4.19Å; L315-A332 HydrophobicContact CB-CB 4.1Å; L315-A332 HydrophobicContact CD1-CB 3.84Å; H328-A332 PolarHBondContact O-N 3.42Å; H328-A332 VanDerWaalsContact O-N 3.09Å; V329-A332 PolarHBondContact O-N 3.12Å; A330-A332 VanDerWaalsContact C-N 3.32Å; A330-A332 PolarHBondContact O-N 3.12Å; A332-L336 VanDerWaalsContact O-CB 3.28Å; A332-L336 WeakPolarHBondContact O-CB 3.18Å; A332-L336 PolarHBondContact O-N 3.07Å |
| 333 | H | 98.3 | Very high | 94.8 | Very high | 7 Ų | 7 | 23.2 Ų | 23.2 | 3% | 0.032 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 170.5 | -83.7 | -51.2 | 0 | 0 | 0 | 112.2 | L315 Q319 V329 A330 T331 L336 A337 H356 A360 | L315-H333 WeakPolarHBondContact CD2-ND1 3.43Å; Q319-H333 PolarHBondContact NE2-NE2 2.9Å; V329-H333 PolarHBondContact O-CD2 3.49Å; V329-H333 PolarHBondContact O-N 2.68Å; A330-H333 WeakPolarHBondContact O-CB 3.21Å; A330-H333 PolarHBondContact O-N 3.36Å; T331-H333 VanDerWaalsContact C-N 3.34Å; T331-H333 PolarHBondContact O-N 2.94Å; H333-L336 PolarHBondContact O-N 3.19Å; H333-A337 VanDerWaalsContact O-CB 3.24Å; H333-A337 WeakPolarHBondContact O-CB 3.48Å; H333-A337 PolarHBondContact O-N 3.46Å; H333-H356 AromaticContact CE1-ND1 3.5Å; H333-H356 AromaticContact ND1-CE1 3.76Å; H333-H356 AromaticContact ND1-CG 3.9Å; H333-H356 AromaticContact ND1-ND1 2.97Å; H333-H356 PolarHBondContact ND1-ND1 3.1Å; H333-A360 HydrophobicContact CB-CB 3.97Å |
| 334 | E | 97.8 | Very high | 94.7 | Very high | 22 Ų | 22 | 23.9 Ų | 23.9 | 10% | 0.103 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.9 | -49.1 | 177.2 | -175.9 | -173.1 | 132.5 | 0 | 0 | 111.9 | A330 T331 L336 A337 Y338 A360 S377 S378 | A330-E334 PolarHBondContact O-N 2.9Å; T331-E334 PolarHBondContact O-N 3.34Å; E334-L336 VanDerWaalsContact C-N 3.35Å; E334-L336 PolarHBondContact O-N 2.76Å; E334-A337 WeakPolarHBondContact O-CB 3.47Å; E334-A337 PolarHBondContact O-N 3.09Å; E334-Y338 PolarHBondContact O-N 3.37Å; E334-A360 HydrophobicContact CB-CB 4.13Å; E334-S377 WeakPolarHBondContact OE1-CB 3.16Å; E334-S377 PolarHBondContact OE1-OG 2.87Å; E334-S378 PolarHBondContact OE2-N 3.25Å; E334-S378 VanDerWaalsContact OE2-N 3.15Å; E334-S378 PolarHBondContact OE2-OG 3.36Å |
| 335 | D | 97.8 | Very high | 94.9 | Very high | 41 Ų | 41 | 26.3 Ų | 26.3 | 22% | 0.219 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.9 | -45.1 | -179.8 | -72.9 | -27.2 | 0 | 0 | 0 | 111.3 | Y311 T331 Y338 S339 | Y311-D335 HydrophobicContact CD1-CB 3.69Å; Y311-D335 HydrophobicContact CE1-CB 3.46Å; Y311-D335 VanDerWaalsContact CE1-CB 3.46Å; Y311-D335 HydrophobicContact CE2-CB 4.42Å; Y311-D335 HydrophobicContact CG-CB 4.31Å; T331-D335 PolarHBondContact O-N 3.43Å; D335-Y338 PolarHBondContact O-N 2.89Å; D335-S339 WeakPolarHBondContact O-CB 3.49Å; D335-S339 PolarHBondContact O-N 3.32Å |
| 336 | L | 97.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.7 | -37.7 | 176.2 | -178.5 | 57.8 | 0 | 0 | 0 | 112.1 | V308 L315 A332 H333 E334 S340 H356 | V308-L336 HydrophobicContact CG1-CD1 3.96Å; L315-L336 HydrophobicContact CD2-CD2 3.65Å; A332-L336 VanDerWaalsContact O-CB 3.28Å; A332-L336 WeakPolarHBondContact O-CB 3.18Å; A332-L336 PolarHBondContact O-N 3.07Å; H333-L336 PolarHBondContact O-N 3.19Å; E334-L336 VanDerWaalsContact C-N 3.35Å; E334-L336 PolarHBondContact O-N 2.76Å; L336-S340 WeakPolarHBondContact O-CB 3.37Å; L336-S340 PolarHBondContact O-N 2.95Å; L336-S340 PolarHBondContact O-OG 3.27Å; L336-H356 VanDerWaalsContact CD2-NE2 3.28Å; L336-H356 WeakPolarHBondContact CD2-NE2 3.36Å |
| 337 | A | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.3 | -47.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | H333 E334 S340 Y341 A353 H356 A357 V381 | H333-A337 VanDerWaalsContact O-CB 3.24Å; H333-A337 WeakPolarHBondContact O-CB 3.48Å; H333-A337 PolarHBondContact O-N 3.46Å; E334-A337 WeakPolarHBondContact O-CB 3.47Å; E334-A337 PolarHBondContact O-N 3.09Å; A337-S340 PolarHBondContact O-N 3.11Å; A337-Y341 WeakPolarHBondContact O-CB 3.42Å; A337-Y341 PolarHBondContact O-N 2.91Å; A337-A353 WeakPolarHBondContact CB-O 3.21Å; A337-H356 HydrophobicContact CB-CB 3.7Å; A337-A357 HydrophobicContact CB-CB 3.97Å; A337-V381 HydrophobicContact CB-CG1 3.98Å |
| 338 | Y | 97.1 | Very high | 92.8 | Very high | 85 Ų | 85 | 32.2 Ų | 32.2 | 33% | 0.333 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.6 | -45.5 | 179.2 | -176.8 | -117.2 | 0 | 0 | 0 | 112 | L299 E334 D335 S340 Y341 V342 V381 | L299-Y338 HydrophobicContact CD2-CD1 3.71Å; L299-Y338 HydrophobicContact CD2-CE1 3.66Å; E334-Y338 PolarHBondContact O-N 3.37Å; D335-Y338 PolarHBondContact O-N 2.89Å; Y338-S340 VanDerWaalsContact C-N 3.33Å; Y338-S340 PolarHBondContact O-N 3.03Å; Y338-Y341 HydrophobicContact CD2-CD1 4.28Å; Y338-Y341 HydrophobicContact CE2-CD1 4.28Å; Y338-Y341 WeakPolarHBondContact O-CB 3.36Å; Y338-Y341 PolarHBondContact O-N 3.41Å; Y338-V342 HydrophobicContact CD2-CG2 4.49Å; Y338-V342 HydrophobicContact CE1-CG2 4.31Å; Y338-V342 HydrophobicContact CE2-CG2 4.07Å; Y338-V342 WeakPolarHBondContact O-CG2 3.43Å; Y338-V342 PolarHBondContact O-N 2.97Å; Y338-V381 HydrophobicContact CD2-CG2 4.11Å; Y338-V381 HydrophobicContact CG-CG2 4.37Å |
| 339 | S | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 177.3 | -169.4 | 0 | 0 | 0 | 0 | 111.9 | S307 V308 D335 V342 H343 | S307-S339 WeakPolarHBondContact CB-OG 2.93Å; S307-S339 PolarHBondContact OG-OG 2.91Å; V308-S339 WeakPolarHBondContact CG2-OG 3.41Å; V308-S339 PolarHBondContact N-OG 2.86Å; D335-S339 WeakPolarHBondContact O-CB 3.49Å; D335-S339 PolarHBondContact O-N 3.32Å; S339-V342 PolarHBondContact O-N 3.45Å; S339-H343 WeakPolarHBondContact O-CB 3.44Å; S339-H343 PolarHBondContact O-N 2.98Å |
| 340 | S | 94.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66 | -39.5 | 175.3 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | L336 A337 Y338 H343 L344 | L336-S340 WeakPolarHBondContact O-CB 3.37Å; L336-S340 PolarHBondContact O-N 2.95Å; L336-S340 PolarHBondContact O-OG 3.27Å; A337-S340 PolarHBondContact O-N 3.11Å; Y338-S340 VanDerWaalsContact C-N 3.33Å; Y338-S340 PolarHBondContact O-N 3.03Å; S340-H343 PolarHBondContact O-N 2.97Å; S340-L344 VanDerWaalsContact O-CB 3.28Å; S340-L344 WeakPolarHBondContact O-CB 3.43Å; S340-L344 WeakPolarHBondContact O-CD1 3.18Å; S340-L344 WeakPolarHBondContact O-CG 3.17Å; S340-L344 PolarHBondContact O-N 3.07Å |
| 341 | Y | 95.1 | Very high | 92 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 4% | 0.043 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58 | -48.3 | 173.4 | 163.8 | -100.8 | 0 | 0 | 0 | 111.1 | A337 Y338 H343 L344 Y345 F350 L384 I385 E388 | A337-Y341 WeakPolarHBondContact O-CB 3.42Å; A337-Y341 PolarHBondContact O-N 2.91Å; Y338-Y341 HydrophobicContact CD2-CD1 4.28Å; Y338-Y341 HydrophobicContact CE2-CD1 4.28Å; Y338-Y341 WeakPolarHBondContact O-CB 3.36Å; Y338-Y341 PolarHBondContact O-N 3.41Å; Y341-H343 VanDerWaalsContact C-N 3.35Å; Y341-H343 PolarHBondContact O-N 3.3Å; Y341-L344 PolarHBondContact O-N 3.01Å; Y341-Y345 HydrophobicContact CE2-CD2 4.38Å; Y341-Y345 PolarHBondContact O-N 3.38Å; Y341-Y345 VanDerWaalsContact O-N 3.1Å; Y341-F350 AromaticContact CD2-CD1 3.92Å; Y341-F350 HydrophobicContact CD2-CD1 3.92Å; Y341-F350 AromaticContact CD2-CE1 3.82Å; Y341-F350 HydrophobicContact CD2-CE1 3.82Å; Y341-F350 HydrophobicContact CE2-CE1 4.11Å; Y341-L384 HydrophobicContact CE1-CB 4.4Å; Y341-L384 HydrophobicContact CE1-CD1 4.39Å; Y341-L384 HydrophobicContact CE2-CB 4.28Å; Y341-I385 HydrophobicContact CD2-CG1 3.59Å; Y341-I385 HydrophobicContact CE2-CG1 4.36Å; Y341-I385 HydrophobicContact CG-CG1 4.11Å; Y341-E388 HydrophobicContact CE2-CG 3.61Å; Y341-E388 PolarHBondContact OH-OE1 3.21Å; Y341-E388 VanDerWaalsContact OH-OE1 3.09Å |
| 342 | V | 91.4 | Very high | 91.8 | Very high | 40 Ų | 40 | 46.3 Ų | 46.3 | 24% | 0.242 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -40.9 | 178 | 177.4 | 0 | 0 | 0 | 0 | 111 | L299 I304 Y338 S339 L344 | L299-V342 HydrophobicContact CD1-CB 4.38Å; L299-V342 HydrophobicContact CD1-CG1 4.28Å; I304-V342 HydrophobicContact CD1-CG1 3.69Å; I304-V342 HydrophobicContact CG1-CG1 3.97Å; I304-V342 HydrophobicContact CG2-CB 4.42Å; I304-V342 HydrophobicContact CG2-CG1 4.17Å; Y338-V342 HydrophobicContact CD2-CG2 4.49Å; Y338-V342 HydrophobicContact CE1-CG2 4.31Å; Y338-V342 HydrophobicContact CE2-CG2 4.07Å; Y338-V342 WeakPolarHBondContact O-CG2 3.43Å; Y338-V342 PolarHBondContact O-N 2.97Å; S339-V342 PolarHBondContact O-N 3.45Å; V342-L344 PolarHBondContact O-N 3.3Å |
| 343 | H | 88.7 | Confident | 91.7 | Very high | 85 Ų | 85 | 46.3 Ų | 46.3 | 39% | 0.394 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.5 | -42.4 | 177.6 | -177.2 | 50.6 | 0 | 0 | 0 | 112.9 | I304 C305 V308 S339 S340 Y341 Y345 | I304-H343 HydrophobicContact CG2-CB 3.61Å; C305-H343 PolarHBondContact SG-CE1 2.94Å; V308-H343 HydrophobicContact CG2-CB 3.95Å; S339-H343 WeakPolarHBondContact O-CB 3.44Å; S339-H343 PolarHBondContact O-N 2.98Å; S340-H343 PolarHBondContact O-N 2.97Å; Y341-H343 VanDerWaalsContact C-N 3.35Å; Y341-H343 PolarHBondContact O-N 3.3Å; H343-Y345 VanDerWaalsContact C-N 3.35Å |
| 344 | L | 86.5 | Confident | 91.6 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 17% | 0.173 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -91.5 | -0.9 | -170.3 | -62.9 | 165.1 | 0 | 0 | 0 | 112.6 | S340 Y341 V342 S346 S347 G348 K349 F350 | S340-L344 VanDerWaalsContact O-CB 3.28Å; S340-L344 WeakPolarHBondContact O-CB 3.43Å; S340-L344 WeakPolarHBondContact O-CD1 3.18Å; S340-L344 WeakPolarHBondContact O-CG 3.17Å; S340-L344 PolarHBondContact O-N 3.07Å; Y341-L344 PolarHBondContact O-N 3.01Å; V342-L344 PolarHBondContact O-N 3.3Å; L344-S346 PolarHBondContact O-N 3.26Å; L344-S347 WeakPolarHBondContact O-CA 3.32Å; L344-S347 PolarHBondContact O-N 2.79Å; L344-S347 PolarHBondContact O-OG 2.6Å; L344-G348 PolarHBondContact O-N 3.28Å; L344-G348 VanDerWaalsContact O-N 3.08Å; L344-K349 VanDerWaalsContact CD1-O 3.27Å; L344-K349 WeakPolarHBondContact CD1-O 3.26Å; L344-F350 HydrophobicContact CB-CD1 4.32Å; L344-F350 HydrophobicContact CB-CE1 4.43Å |
| 345 | Y | 82.9 | Confident | 91.6 | Very high | 90 Ų | 90 | 51 Ų | 51 | 35% | 0.353 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -48.9 | -52.5 | -177.6 | -166.4 | -95.7 | 0 | 0 | 0 | 112.6 | Y341 H343 S347 E388 | Y341-Y345 HydrophobicContact CE2-CD2 4.38Å; Y341-Y345 PolarHBondContact O-N 3.38Å; Y341-Y345 VanDerWaalsContact O-N 3.1Å; H343-Y345 VanDerWaalsContact C-N 3.35Å; Y345-S347 PolarHBondContact O-N 3.27Å; Y345-E388 HydrophobicContact CE2-CG 4.24Å; Y345-E388 VanDerWaalsContact CE2-OE1 3.29Å; Y345-E388 WeakPolarHBondContact CE2-OE1 3.48Å |
| 346 | S | 75.3 | Confident | 91.6 | Very high | 108 Ų | 108 | 49.4 Ų | 49.4 | 76% | 0.755 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -70.7 | -16.1 | -180 | -47.3 | 0 | 0 | 0 | 0 | 114.1 | L344 | L344-S346 PolarHBondContact O-N 3.26Š|
| 347 | S | 82.3 | Confident | 91.7 | Very high | 61 Ų | 61 | 49.4 Ų | 49.4 | 43% | 0.427 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -96.4 | -18.6 | -176.8 | 76.9 | 0 | 0 | 0 | 0 | 114.2 | L344 Y345 K349 | L344-S347 WeakPolarHBondContact O-CA 3.32Å; L344-S347 PolarHBondContact O-N 2.79Å; L344-S347 PolarHBondContact O-OG 2.6Å; Y345-S347 PolarHBondContact O-N 3.27Å; S347-K349 PolarHBondContact O-N 3.01Å; S347-K349 PolarHBondContact OG-N 3.08Å |
| 348 | G | 83.5 | Confident | 91.7 | Very high | 28 Ų | 28 | 53.4 Ų | 53.4 | 29% | 0.289 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 1.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L344 F350 | L344-G348 PolarHBondContact O-N 3.28Å; L344-G348 VanDerWaalsContact O-N 3.08Å; G348-F350 WeakPolarHBondContact O-CD2 3.39Å; G348-F350 PolarHBondContact O-N 3.48Å |
| 349 | K | 89.2 | Confident | 91.7 | Very high | 148 Ų | 148 | 55 Ų | 55 | 64% | 0.643 | 28% | 0.282 | S | S | * | . | trans | -93.4 | 78.5 | -173 | -66.3 | 180 | -176.5 | 177.3 | 0 | 112 | L344 S347 | L344-K349 VanDerWaalsContact CD1-O 3.27Å; L344-K349 WeakPolarHBondContact CD1-O 3.26Å; S347-K349 PolarHBondContact O-N 3.01Å; S347-K349 PolarHBondContact OG-N 3.08Å | ||
| 350 | F | 92.9 | Very high | 91.8 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | trans | -89.9 | 4.6 | -171.8 | -56.2 | -70.4 | 0 | 0 | 0 | 116.2 | Y341 L344 G348 N352 A353 L354 I385 E388 I389 | Y341-F350 AromaticContact CD2-CD1 3.92Å; Y341-F350 HydrophobicContact CD2-CD1 3.92Å; Y341-F350 AromaticContact CD2-CE1 3.82Å; Y341-F350 HydrophobicContact CD2-CE1 3.82Å; Y341-F350 HydrophobicContact CE2-CE1 4.11Å; L344-F350 HydrophobicContact CB-CD1 4.32Å; L344-F350 HydrophobicContact CB-CE1 4.43Å; G348-F350 WeakPolarHBondContact O-CD2 3.39Å; G348-F350 PolarHBondContact O-N 3.48Å; F350-N352 VanDerWaalsContact C-N 3.3Å; F350-N352 PolarHBondContact O-N 2.86Å; F350-A353 PolarHBondContact O-N 2.68Å; F350-A353 VanDerWaalsContact O-N 3.1Å; F350-L354 WeakPolarHBondContact O-CB 3.32Å; F350-L354 PolarHBondContact O-N 2.87Å; F350-I385 HydrophobicContact CB-CG2 3.66Å; F350-I385 HydrophobicContact CG-CG2 4.33Å; F350-E388 HydrophobicContact CD2-CB 3.98Å; F350-E388 HydrophobicContact CE2-CB 3.35Å; F350-E388 HydrophobicContact CE2-CG 4.07Å; F350-E388 HydrophobicContact CZ-CB 3.73Å; F350-E388 HydrophobicContact CZ-CG 3.9Å; F350-I389 HydrophobicContact CB-CD1 4.22Å; F350-I389 HydrophobicContact CB-CG1 4.21Å; F350-I389 HydrophobicContact CD2-CG1 3.99Å | ||
| 351 | D | 92.4 | Very high | 92 | Very high | 129 Ų | 129 | 56.2 Ų | 56.2 | 69% | 0.69 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -53.3 | -44.3 | -174.6 | -63.1 | -46.5 | 0 | 0 | 0 | 113.3 | L354 F355 | D351-L354 PolarHBondContact O-N 3.22Å; D351-F355 WeakPolarHBondContact O-CB 3.45Å; D351-F355 PolarHBondContact O-N 3.22Å |
| 352 | N | 92.4 | Very high | 92.1 | Very high | 77 Ų | 77 | 59.6 Ų | 59.6 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.6 | -43.7 | 179.8 | -167.4 | 6.3 | 0 | 0 | 0 | 111.9 | F350 L354 F355 H356 | F350-N352 VanDerWaalsContact C-N 3.3Å; F350-N352 PolarHBondContact O-N 2.86Å; N352-L354 VanDerWaalsContact C-N 3.32Å; N352-L354 PolarHBondContact O-N 2.92Å; N352-F355 PolarHBondContact O-N 3.13Å; N352-H356 PolarHBondContact O-CD2 2.95Å; N352-H356 VanDerWaalsContact O-CD2 3.27Å; N352-H356 PolarHBondContact O-N 2.71Å; N352-H356 VanDerWaalsContact O-N 3.14Å; N352-H356 PolarHBondContact OD1-CD2 3.39Å; N352-H356 PolarHBondContact OD1-NE2 3.27Å; N352-H356 VanDerWaalsContact OD1-NE2 3.08Å |
| 353 | A | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A337 F350 H356 A357 I385 | A337-A353 WeakPolarHBondContact CB-O 3.21Å; F350-A353 PolarHBondContact O-N 2.68Å; F350-A353 VanDerWaalsContact O-N 3.1Å; A353-H356 PolarHBondContact O-N 2.83Å; A353-A357 WeakPolarHBondContact O-CB 3.38Å; A353-A357 PolarHBondContact O-N 3.34Å; A353-I385 HydrophobicContact CB-CD1 3.78Å; A353-I385 HydrophobicContact CB-CG1 4.32Å |
| 354 | L | 97.3 | Very high | 92.7 | Very high | 30 Ų | 30 | 54.1 Ų | 54.1 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 177.8 | -175.9 | 58.7 | 0 | 0 | 0 | 111.4 | F350 D351 N352 H356 A357 E358 K382 I385 L386 I389 | F350-L354 WeakPolarHBondContact O-CB 3.32Å; F350-L354 PolarHBondContact O-N 2.87Å; D351-L354 PolarHBondContact O-N 3.22Å; N352-L354 VanDerWaalsContact C-N 3.32Å; N352-L354 PolarHBondContact O-N 2.92Å; L354-H356 VanDerWaalsContact C-N 3.29Å; L354-H356 PolarHBondContact O-N 2.65Å; L354-A357 PolarHBondContact O-N 2.93Å; L354-E358 HydrophobicContact CD1-CG 4.11Å; L354-E358 HydrophobicContact CG-CG 4.4Å; L354-E358 WeakPolarHBondContact O-CG 3.36Å; L354-E358 PolarHBondContact O-N 3.05Å; L354-K382 HydrophobicContact CD1-CG 4.12Å; L354-I385 HydrophobicContact CB-CG2 3.94Å; L354-I385 HydrophobicContact CD1-CG2 4.15Å; L354-L386 HydrophobicContact CD1-CD2 4.25Å; L354-I389 HydrophobicContact CD2-CD1 4.04Å |
| 355 | F | 97.2 | Very high | 93.1 | Very high | 98 Ų | 98 | 55.5 Ų | 55.5 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -53.2 | -48.1 | 176.5 | 169.2 | -98.1 | 0 | 0 | 0 | 111.5 | D351 N352 E358 R359 | D351-F355 WeakPolarHBondContact O-CB 3.45Å; D351-F355 PolarHBondContact O-N 3.22Å; N352-F355 PolarHBondContact O-N 3.13Å; F355-E358 PolarHBondContact O-N 3.44Å; F355-R359 HydrophobicContact CD1-CG 4.47Å; F355-R359 HydrophobicContact CD2-CG 4.36Å; F355-R359 HydrophobicContact CE1-CG 4.1Å; F355-R359 HydrophobicContact CE2-CG 3.98Å; F355-R359 HydrophobicContact CZ-CG 3.84Å; F355-R359 WeakPolarHBondContact O-CB 3.43Å; F355-R359 WeakPolarHBondContact O-CG 3.48Å; F355-R359 PolarHBondContact O-N 3.04Å |
| 356 | H | 98.1 | Very high | 93.6 | Very high | 8 Ų | 8 | 56.5 Ų | 56.5 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 179.7 | -72.2 | -49.7 | 0 | 0 | 0 | 112.7 | H333 L336 A337 N352 A353 L354 E358 R359 A360 | H333-H356 AromaticContact CE1-ND1 3.5Å; H333-H356 AromaticContact ND1-CE1 3.76Å; H333-H356 AromaticContact ND1-CG 3.9Å; H333-H356 AromaticContact ND1-ND1 2.97Å; H333-H356 PolarHBondContact ND1-ND1 3.1Å; L336-H356 VanDerWaalsContact CD2-NE2 3.28Å; L336-H356 WeakPolarHBondContact CD2-NE2 3.36Å; A337-H356 HydrophobicContact CB-CB 3.7Å; N352-H356 PolarHBondContact O-CD2 2.95Å; N352-H356 VanDerWaalsContact O-CD2 3.27Å; N352-H356 PolarHBondContact O-N 2.71Å; N352-H356 VanDerWaalsContact O-N 3.14Å; N352-H356 PolarHBondContact OD1-CD2 3.39Å; N352-H356 PolarHBondContact OD1-NE2 3.27Å; N352-H356 VanDerWaalsContact OD1-NE2 3.08Å; A353-H356 PolarHBondContact O-N 2.83Å; L354-H356 VanDerWaalsContact C-N 3.29Å; L354-H356 PolarHBondContact O-N 2.65Å; H356-E358 VanDerWaalsContact C-N 3.33Å; H356-E358 PolarHBondContact O-N 2.95Å; H356-R359 PolarHBondContact O-N 3.22Å; H356-A360 PolarHBondContact O-N 3.33Å |
| 357 | A | 98.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A337 A353 L354 A360 I361 V381 K382 I385 | A337-A357 HydrophobicContact CB-CB 3.97Å; A353-A357 WeakPolarHBondContact O-CB 3.38Å; A353-A357 PolarHBondContact O-N 3.34Å; L354-A357 PolarHBondContact O-N 2.93Å; A357-A360 PolarHBondContact O-N 3.45Å; A357-I361 WeakPolarHBondContact O-CG1 3.4Å; A357-I361 PolarHBondContact O-N 2.99Å; A357-I361 VanDerWaalsContact O-N 3.14Å; A357-V381 HydrophobicContact CB-CG1 4.31Å; A357-K382 HydrophobicContact CB-CB 4.08Å; A357-I385 HydrophobicContact CB-CD1 4.12Å |
| 358 | E | 98.1 | Very high | 95.1 | Very high | 83 Ų | 83 | 52 Ų | 52 | 39% | 0.388 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 177.2 | -70.6 | -172.1 | 147.4 | 0 | 0 | 112.5 | L354 F355 H356 I361 D362 K382 | L354-E358 HydrophobicContact CD1-CG 4.11Å; L354-E358 HydrophobicContact CG-CG 4.4Å; L354-E358 WeakPolarHBondContact O-CG 3.36Å; L354-E358 PolarHBondContact O-N 3.05Å; F355-E358 PolarHBondContact O-N 3.44Å; H356-E358 VanDerWaalsContact C-N 3.33Å; H356-E358 PolarHBondContact O-N 2.95Å; E358-I361 PolarHBondContact O-N 3.25Å; E358-D362 WeakPolarHBondContact O-CB 3.44Å; E358-D362 PolarHBondContact O-N 3.42Å; E358-K382 HydrophobicContact CG-CD 4.08Å; E358-K382 IonicContact OE1-NZ 2.75Å; E358-K382 PolarHBondContact OE1-NZ 2.94Å |
| 359 | R | 97.8 | Very high | 95.5 | Very high | 119 Ų | 119 | 54.4 Ų | 54.4 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 175.3 | -72.1 | -73.3 | 158.3 | 175.6 | -4 | 112.1 | F355 H356 D362 I363 | F355-R359 HydrophobicContact CD1-CG 4.47Å; F355-R359 HydrophobicContact CD2-CG 4.36Å; F355-R359 HydrophobicContact CE1-CG 4.1Å; F355-R359 HydrophobicContact CE2-CG 3.98Å; F355-R359 HydrophobicContact CZ-CG 3.84Å; F355-R359 WeakPolarHBondContact O-CB 3.43Å; F355-R359 WeakPolarHBondContact O-CG 3.48Å; F355-R359 PolarHBondContact O-N 3.04Å; H356-R359 PolarHBondContact O-N 3.22Å; R359-D362 PolarHBondContact O-N 3.05Å; R359-I363 WeakPolarHBondContact O-CB 3.31Å; R359-I363 WeakPolarHBondContact O-CD1 3.4Å; R359-I363 VanDerWaalsContact O-CG1 3.24Å; R359-I363 WeakPolarHBondContact O-CG1 3.38Å; R359-I363 PolarHBondContact O-N 3.18Å |
| 360 | A | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A330 H333 E334 H356 A357 I363 I364 S378 | A330-A360 WeakPolarHBondContact O-CB 3.39Å; H333-A360 HydrophobicContact CB-CB 3.97Å; E334-A360 HydrophobicContact CB-CB 4.13Å; H356-A360 PolarHBondContact O-N 3.33Å; A357-A360 PolarHBondContact O-N 3.45Å; A360-I363 PolarHBondContact O-N 3.21Å; A360-I364 WeakPolarHBondContact O-CB 3.49Å; A360-I364 WeakPolarHBondContact O-CD1 3.48Å; A360-I364 WeakPolarHBondContact O-CG1 3.34Å; A360-I364 PolarHBondContact O-N 3.46Å; A360-S378 WeakPolarHBondContact CB-OG 3.22Å |
| 361 | I | 97.6 | Very high | 95.4 | Very high | 27 Ų | 27 | 59.1 Ų | 59.1 | 14% | 0.138 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 178.8 | -64.8 | 170.2 | 0 | 0 | 0 | 111.4 | A357 E358 I363 I364 T365 L375 K379 K382 | A357-I361 WeakPolarHBondContact O-CG1 3.4Å; A357-I361 PolarHBondContact O-N 2.99Å; A357-I361 VanDerWaalsContact O-N 3.14Å; E358-I361 PolarHBondContact O-N 3.25Å; I361-I363 PolarHBondContact O-N 3.36Å; I361-I364 PolarHBondContact O-N 3.23Å; I361-T365 HydrophobicContact CG2-CG2 4.1Å; I361-T365 WeakPolarHBondContact O-CB 3.44Å; I361-T365 WeakPolarHBondContact O-CG2 3.49Å; I361-T365 PolarHBondContact O-N 2.99Å; I361-T365 PolarHBondContact O-OG1 3.25Å; I361-L375 HydrophobicContact CG2-CD2 4.35Å; I361-K379 HydrophobicContact CD1-CG 4.24Å; I361-K382 HydrophobicContact CD1-CB 3.93Å; I361-K382 HydrophobicContact CD1-CD 3.78Å; I361-K382 HydrophobicContact CD1-CG 4.47Å |
| 362 | D | 97.1 | Very high | 95.6 | Very high | 82 Ų | 82 | 54.2 Ų | 54.2 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.3 | -48 | 178.9 | 177.8 | 66.9 | 0 | 0 | 0 | 111.5 | E358 R359 T365 H366 | E358-D362 WeakPolarHBondContact O-CB 3.44Å; E358-D362 PolarHBondContact O-N 3.42Å; R359-D362 PolarHBondContact O-N 3.05Å; D362-T365 PolarHBondContact O-OG1 3.25Å; D362-T365 VanDerWaalsContact O-OG1 3.09Å; D362-H366 WeakPolarHBondContact O-CB 3.35Å; D362-H366 PolarHBondContact O-N 3.22Å; D362-H366 VanDerWaalsContact O-N 3.12Å |
| 363 | I | 96.7 | Very high | 95.7 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -52.4 | 177.5 | -65.3 | 163.3 | 0 | 0 | 0 | 110 | G324 N326 V329 A330 R359 A360 I361 T365 H366 I367 | G324-I363 VanDerWaalsContact O-CD1 3.26Å; G324-I363 WeakPolarHBondContact O-CD1 3.3Å; N326-I363 WeakPolarHBondContact O-CG2 3.47Å; V329-I363 HydrophobicContact CG1-CD1 4.01Å; A330-I363 HydrophobicContact CB-CB 3.92Å; A330-I363 HydrophobicContact CB-CD1 4.41Å; A330-I363 HydrophobicContact CB-CG2 3.77Å; R359-I363 WeakPolarHBondContact O-CB 3.31Å; R359-I363 WeakPolarHBondContact O-CD1 3.4Å; R359-I363 VanDerWaalsContact O-CG1 3.24Å; R359-I363 WeakPolarHBondContact O-CG1 3.38Å; R359-I363 PolarHBondContact O-N 3.18Å; A360-I363 PolarHBondContact O-N 3.21Å; I361-I363 PolarHBondContact O-N 3.36Å; I363-T365 PolarHBondContact O-N 2.96Å; I363-H366 WeakPolarHBondContact O-CB 3.41Å; I363-H366 PolarHBondContact O-N 2.89Å; I363-H366 VanDerWaalsContact O-N 3.09Å; I363-I367 HydrophobicContact CG2-CD1 4.5Å; I363-I367 WeakPolarHBondContact O-CG1 3.34Å; I363-I367 PolarHBondContact O-N 2.84Å |
| 364 | I | 96.7 | Very high | 95.6 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.5 | -46.3 | -175.6 | -65.7 | 163.1 | 0 | 0 | 0 | 111 | A330 A360 I361 H366 I367 L368 L374 L375 | A330-I364 HydrophobicContact CB-CD1 4.15Å; A330-I364 HydrophobicContact CB-CG1 3.67Å; A360-I364 WeakPolarHBondContact O-CB 3.49Å; A360-I364 WeakPolarHBondContact O-CD1 3.48Å; A360-I364 WeakPolarHBondContact O-CG1 3.34Å; A360-I364 PolarHBondContact O-N 3.46Å; I361-I364 PolarHBondContact O-N 3.23Å; I364-H366 PolarHBondContact O-N 2.81Å; I364-I367 PolarHBondContact O-N 3.38Å; I364-L368 HydrophobicContact CG2-CB 4.28Å; I364-L368 HydrophobicContact CG2-CD1 4.06Å; I364-L368 WeakPolarHBondContact O-CB 2.98Å; I364-L368 PolarHBondContact O-N 3.27Å; I364-L374 HydrophobicContact CD1-CB 4.39Å; I364-L374 HydrophobicContact CG2-CB 4.38Å; I364-L375 HydrophobicContact CB-CD2 3.69Å; I364-L375 HydrophobicContact CB-CG 4.35Å; I364-L375 HydrophobicContact CG2-CD1 4.33Å; I364-L375 HydrophobicContact CG2-CD2 3.4Å; I364-L375 HydrophobicContact CG2-CG 3.49Å; I364-L375 VanDerWaalsContact CG2-CG 3.49Å |
| 365 | T | 95.7 | Very high | 95.5 | Very high | 61 Ų | 61 | 52 Ų | 52 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.6 | -24.9 | 178.4 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | I361 D362 I363 L375 | I361-T365 HydrophobicContact CG2-CG2 4.1Å; I361-T365 WeakPolarHBondContact O-CB 3.44Å; I361-T365 WeakPolarHBondContact O-CG2 3.49Å; I361-T365 PolarHBondContact O-N 2.99Å; I361-T365 PolarHBondContact O-OG1 3.25Å; D362-T365 PolarHBondContact O-OG1 3.25Å; D362-T365 VanDerWaalsContact O-OG1 3.09Å; I363-T365 PolarHBondContact O-N 2.96Å; T365-L375 HydrophobicContact CG2-CD1 4.07Å; T365-L375 HydrophobicContact CG2-CD2 3.75Å |
| 366 | H | 93.9 | Very high | 95.4 | Very high | 112 Ų | 112 | 47.5 Ų | 47.5 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -75.4 | -37 | 175.4 | -166.8 | 78.5 | 0 | 0 | 0 | 113.3 | K325 D362 I363 I364 | K325-H366 PolarHBondContact NZ-CE1 2.95Å; K325-H366 PolarHBondContact NZ-NE2 2.63Å; D362-H366 WeakPolarHBondContact O-CB 3.35Å; D362-H366 PolarHBondContact O-N 3.22Å; D362-H366 VanDerWaalsContact O-N 3.12Å; I363-H366 WeakPolarHBondContact O-CB 3.41Å; I363-H366 PolarHBondContact O-N 2.89Å; I363-H366 VanDerWaalsContact O-N 3.09Å; I364-H366 PolarHBondContact O-N 2.81Å |
| 367 | I | 93.4 | Very high | 95.1 | Very high | 44 Ų | 44 | 49 Ų | 49 | 23% | 0.226 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -103.3 | -19.6 | -172.5 | 59.9 | 158.6 | 0 | 0 | 0 | 114.4 | W135 K325 I327 I363 I364 | W135-I367 HydrophobicContact CH2-CG2 4.41Å; K325-I367 HydrophobicContact CB-CG2 4.48Å; I327-I367 HydrophobicContact CB-CD1 3.8Å; I327-I367 HydrophobicContact CG1-CD1 4.32Å; I363-I367 HydrophobicContact CG2-CD1 4.5Å; I363-I367 WeakPolarHBondContact O-CG1 3.34Å; I363-I367 PolarHBondContact O-N 2.84Å; I364-I367 PolarHBondContact O-N 3.38Å |
| 368 | L | 94.1 | Very high | 95 | Very high | 31 Ų | 31 | 49 Ų | 49 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -127.9 | 157.9 | -175.1 | -67.5 | 168.2 | 0 | 0 | 0 | 111.3 | I327 I364 H372 L374 | I327-L368 HydrophobicContact CD1-CD1 3.83Å; I327-L368 HydrophobicContact CG1-CD1 4.32Å; I364-L368 HydrophobicContact CG2-CB 4.28Å; I364-L368 HydrophobicContact CG2-CD1 4.06Å; I364-L368 WeakPolarHBondContact O-CB 2.98Å; I364-L368 PolarHBondContact O-N 3.27Å; L368-H372 HydrophobicContact CB-CB 4.04Å; L368-L374 HydrophobicContact CD1-CD1 3.81Å |
| 369 | P | 93.3 | Very high | 94.9 | Very high | 77 Ų | 77 | 46.5 Ų | 46.5 | 50% | 0.5 | 24% | 0.237 | S | C | . | . | trans | -57.3 | 150.9 | 176 | -24.2 | 34.4 | 0 | 0 | 0 | 113.2 | D371 H372 | P369-D371 PolarHBondContact O-N 2.97Å; P369-D371 VanDerWaalsContact O-N 3.12Å; P369-H372 WeakPolarHBondContact O-CB 3.09Å; P369-H372 PolarHBondContact O-N 3.35Å | ||
| 370 | E | 89.5 | Confident | 94.9 | Very high | 164 Ų | 164 | 42.4 Ų | 42.4 | 77% | 0.766 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.3 | -178.9 | -65.3 | -175.9 | 172.8 | 0 | 0 | 114.2 | L375 | E370-L375 WeakPolarHBondContact O-CD1 3.48Š|
| 371 | D | 90.2 | Very high | 94.9 | Very high | 88 Ų | 88 | 42.4 Ų | 42.4 | 47% | 0.471 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 15.4 | 176.8 | 79.6 | -39.3 | 0 | 0 | 0 | 113.4 | P369 L416 K419 | P369-D371 PolarHBondContact O-N 2.97Å; P369-D371 VanDerWaalsContact O-N 3.12Å; D371-L416 HydrophobicContact CB-CD2 4.24Å; D371-L416 WeakPolarHBondContact O-CD2 3.48Å; D371-K419 IonicContact OD2-NZ 2.96Å; D371-K419 PolarHBondContact OD2-NZ 3.16Å |
| 372 | H | 95.3 | Very high | 94.9 | Very high | 26 Ų | 26 | 43.2 Ų | 43.2 | 12% | 0.12 | 22% | 0.224 | C | C | . | . | trans | -70.8 | 136.4 | 178.8 | -163.7 | -86.3 | 0 | 0 | 0 | 111.8 | N176 L368 P369 L374 L375 | N176-H372 PolarHBondContact O-NE2 3.48Å; N176-H372 PolarHBondContact OD1-NE2 3.2Å; L368-H372 HydrophobicContact CB-CB 4.04Å; P369-H372 WeakPolarHBondContact O-CB 3.09Å; P369-H372 PolarHBondContact O-N 3.35Å; H372-L374 VanDerWaalsContact C-N 3.25Å; H372-L374 PolarHBondContact ND1-N 2.78Å; H372-L374 PolarHBondContact O-N 3.48Å; H372-L375 WeakPolarHBondContact O-CB 3.43Å; H372-L375 PolarHBondContact O-N 2.67Å | ||
| 373 | L | 95.5 | Very high | 94.9 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30.1 | -174.1 | -177.1 | 62.2 | 0 | 0 | 0 | 113.8 | C177 Y179 L375 A376 L416 A420 F421 | C177-L373 HydrophobicContact CB-CB 3.82Å; C177-L373 HydrophobicContact CB-CD2 3.79Å; C177-L373 HydrophobicContact CB-CG 4.29Å; Y179-L373 HydrophobicContact CD2-CD2 4.38Å; Y179-L373 HydrophobicContact CE2-CD2 3.55Å; L373-L375 PolarHBondContact O-N 3Å; L373-L375 VanDerWaalsContact O-N 3.1Å; L373-A376 HydrophobicContact CD1-CB 4.04Å; L373-A376 WeakPolarHBondContact O-CB 3.43Å; L373-A376 PolarHBondContact O-N 3.48Å; L373-L416 HydrophobicContact CD1-CB 4.18Å; L373-A420 HydrophobicContact CD1-CB 3.67Å; L373-A420 HydrophobicContact CD2-CB 3.43Å; L373-A420 VanDerWaalsContact CD2-CB 3.43Å; L373-A420 HydrophobicContact CG-CB 4.1Å; L373-F421 HydrophobicContact CD1-CE2 4.23Å; L373-F421 HydrophobicContact CD2-CE1 4.45Å; L373-F421 HydrophobicContact CD2-CE2 4.01Å; L373-F421 HydrophobicContact CD2-CZ 3.75Å |
| 374 | L | 94.2 | Very high | 94.9 | Very high | 35 Ų | 35 | 39.2 Ų | 39.2 | 18% | 0.183 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.2 | -23.9 | 175.2 | -71.7 | 172.5 | 0 | 0 | 0 | 113.3 | I327 I364 L368 H372 A376 | I327-L374 HydrophobicContact CD1-CD1 3.47Å; I327-L374 VanDerWaalsContact CD1-CD1 3.47Å; I327-L374 HydrophobicContact CG1-CD1 3.81Å; I364-L374 HydrophobicContact CD1-CB 4.39Å; I364-L374 HydrophobicContact CG2-CB 4.38Å; L368-L374 HydrophobicContact CD1-CD1 3.81Å; H372-L374 VanDerWaalsContact C-N 3.25Å; H372-L374 PolarHBondContact ND1-N 2.78Å; H372-L374 PolarHBondContact O-N 3.48Å; L374-A376 VanDerWaalsContact C-N 3.27Å; L374-A376 PolarHBondContact O-N 2.88Å |
| 375 | L | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.4 | -23.3 | 174 | -71.9 | 168.2 | 0 | 0 | 0 | 113 | I361 I364 T365 E370 H372 L373 S377 K379 L416 | I361-L375 HydrophobicContact CG2-CD2 4.35Å; I364-L375 HydrophobicContact CB-CD2 3.69Å; I364-L375 HydrophobicContact CB-CG 4.35Å; I364-L375 HydrophobicContact CG2-CD1 4.33Å; I364-L375 HydrophobicContact CG2-CD2 3.4Å; I364-L375 HydrophobicContact CG2-CG 3.49Å; I364-L375 VanDerWaalsContact CG2-CG 3.49Å; T365-L375 HydrophobicContact CG2-CD1 4.07Å; T365-L375 HydrophobicContact CG2-CD2 3.75Å; E370-L375 WeakPolarHBondContact O-CD1 3.48Å; H372-L375 WeakPolarHBondContact O-CB 3.43Å; H372-L375 PolarHBondContact O-N 2.67Å; L373-L375 PolarHBondContact O-N 3Å; L373-L375 VanDerWaalsContact O-N 3.1Å; L375-S377 PolarHBondContact O-N 2.91Å; L375-K379 HydrophobicContact CB-CD 4.16Å; L375-K379 HydrophobicContact CB-CG 4.5Å; L375-K379 WeakPolarHBondContact O-CB 3.4Å; L375-K379 WeakPolarHBondContact O-CG 3.49Å; L375-K379 PolarHBondContact O-N 2.89Å; L375-L416 HydrophobicContact CB-CD1 4.15Å |
| 376 | A | 94.8 | Very high | 95 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L373 L374 R380 S413 L416 | L373-A376 HydrophobicContact CD1-CB 4.04Å; L373-A376 WeakPolarHBondContact O-CB 3.43Å; L373-A376 PolarHBondContact O-N 3.48Å; L374-A376 VanDerWaalsContact C-N 3.27Å; L374-A376 PolarHBondContact O-N 2.88Å; A376-R380 VanDerWaalsContact O-CB 3.29Å; A376-R380 WeakPolarHBondContact O-CB 3.26Å; A376-R380 PolarHBondContact O-N 2.98Å; A376-R380 VanDerWaalsContact O-N 3.12Å; A376-S413 WeakPolarHBondContact O-CB 3.32Å; A376-S413 PolarHBondContact O-OG 3.48Å; A376-S413 VanDerWaalsContact O-OG 3.12Å; A376-L416 HydrophobicContact CB-CB 3.84Å; A376-L416 HydrophobicContact CB-CD1 4.03Å |
| 377 | S | 93.2 | Very high | 95.1 | Very high | 39 Ų | 39 | 31.4 Ų | 31.4 | 27% | 0.273 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -77.1 | -46.7 | -178.8 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | E334 L375 K379 R380 V381 | E334-S377 WeakPolarHBondContact OE1-CB 3.16Å; E334-S377 PolarHBondContact OE1-OG 2.87Å; L375-S377 PolarHBondContact O-N 2.91Å; S377-K379 PolarHBondContact O-N 3.45Å; S377-R380 WeakPolarHBondContact O-CB 3.44Å; S377-R380 PolarHBondContact O-N 3.22Å; S377-R380 VanDerWaalsContact O-N 3.14Å; S377-R380 PolarHBondContact OG-NH2 3.02Å; S377-V381 WeakPolarHBondContact O-CG2 3.36Å; S377-V381 PolarHBondContact O-N 3.27Å |
| 378 | S | 94.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55 | -45.3 | 173 | -72.7 | 0 | 0 | 0 | 0 | 113.5 | E334 A360 V381 K382 | E334-S378 PolarHBondContact OE2-N 3.25Å; E334-S378 VanDerWaalsContact OE2-N 3.15Å; E334-S378 PolarHBondContact OE2-OG 3.36Å; A360-S378 WeakPolarHBondContact CB-OG 3.22Å; S378-V381 PolarHBondContact O-N 3.2Å; S378-K382 PolarHBondContact O-N 3.24Å |
| 379 | K | 97.1 | Very high | 95.1 | Very high | 31 Ų | 31 | 31.1 Ų | 31.1 | 14% | 0.135 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 175.6 | -74.7 | 175.4 | 172.4 | 176.2 | 0 | 112.1 | I361 L375 S377 K382 A383 L409 S412 S413 | I361-K379 HydrophobicContact CD1-CG 4.24Å; L375-K379 HydrophobicContact CB-CD 4.16Å; L375-K379 HydrophobicContact CB-CG 4.5Å; L375-K379 WeakPolarHBondContact O-CB 3.4Å; L375-K379 WeakPolarHBondContact O-CG 3.49Å; L375-K379 PolarHBondContact O-N 2.89Å; S377-K379 PolarHBondContact O-N 3.45Å; K379-K382 PolarHBondContact O-N 3Å; K379-A383 WeakPolarHBondContact O-CB 3.47Å; K379-A383 PolarHBondContact O-N 3Å; K379-L409 HydrophobicContact CB-CD2 3.98Å; K379-L409 HydrophobicContact CD-CD2 4.33Å; K379-L409 HydrophobicContact CG-CD2 3.82Å; K379-S412 PolarHBondContact NZ-OG 3.29Å; K379-S413 WeakPolarHBondContact CB-OG 3Å |
| 380 | R | 97.5 | Very high | 95.2 | Very high | 33 Ų | 33 | 27.5 Ų | 27.5 | 13% | 0.125 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 174.7 | 179.5 | -167.6 | 60.2 | 78.4 | 4.8 | 111.9 | A376 S377 A383 L384 S413 | A376-R380 VanDerWaalsContact O-CB 3.29Å; A376-R380 WeakPolarHBondContact O-CB 3.26Å; A376-R380 PolarHBondContact O-N 2.98Å; A376-R380 VanDerWaalsContact O-N 3.12Å; S377-R380 WeakPolarHBondContact O-CB 3.44Å; S377-R380 PolarHBondContact O-N 3.22Å; S377-R380 VanDerWaalsContact O-N 3.14Å; S377-R380 PolarHBondContact OG-NH2 3.02Å; R380-A383 PolarHBondContact O-N 3.41Å; R380-L384 WeakPolarHBondContact O-CG 3.24Å; R380-L384 PolarHBondContact O-N 3.24Å; R380-S413 PolarHBondContact N-OG 2.93Å |
| 381 | V | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 177.8 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | A337 Y338 A357 S377 S378 A383 L384 I385 | A337-V381 HydrophobicContact CB-CG1 3.98Å; Y338-V381 HydrophobicContact CD2-CG2 4.11Å; Y338-V381 HydrophobicContact CG-CG2 4.37Å; A357-V381 HydrophobicContact CB-CG1 4.31Å; S377-V381 WeakPolarHBondContact O-CG2 3.36Å; S377-V381 PolarHBondContact O-N 3.27Å; S378-V381 PolarHBondContact O-N 3.2Å; V381-A383 VanDerWaalsContact C-N 3.34Å; V381-A383 PolarHBondContact O-N 3.48Å; V381-L384 WeakPolarHBondContact O-CB 3.48Å; V381-L384 PolarHBondContact O-N 3.42Å; V381-I385 HydrophobicContact CG1-CD1 3.96Å; V381-I385 WeakPolarHBondContact O-CD1 3.38Å; V381-I385 WeakPolarHBondContact O-CG1 3.49Å; V381-I385 PolarHBondContact O-N 3.18Å; V381-I385 VanDerWaalsContact O-N 3.16Å |
| 382 | K | 98.1 | Very high | 95.1 | Very high | 43 Ų | 43 | 24.2 Ų | 24.2 | 19% | 0.187 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.7 | -45.2 | 174.1 | 179.4 | 168.4 | 171.2 | 159.4 | 0 | 111.7 | L354 A357 E358 I361 S378 K379 L384 I385 L386 L409 | L354-K382 HydrophobicContact CD1-CG 4.12Å; A357-K382 HydrophobicContact CB-CB 4.08Å; E358-K382 HydrophobicContact CG-CD 4.08Å; E358-K382 IonicContact OE1-NZ 2.75Å; E358-K382 PolarHBondContact OE1-NZ 2.94Å; I361-K382 HydrophobicContact CD1-CB 3.93Å; I361-K382 HydrophobicContact CD1-CD 3.78Å; I361-K382 HydrophobicContact CD1-CG 4.47Å; S378-K382 PolarHBondContact O-N 3.24Å; K379-K382 PolarHBondContact O-N 3Å; K382-L384 PolarHBondContact O-N 2.99Å; K382-I385 PolarHBondContact O-N 2.89Å; K382-I385 VanDerWaalsContact O-N 3.16Å; K382-L386 HydrophobicContact CG-CD1 4.06Å; K382-L386 HydrophobicContact CG-CG 4.21Å; K382-L386 WeakPolarHBondContact O-CG 3.18Å; K382-L386 PolarHBondContact O-N 3.11Å; K382-L409 HydrophobicContact CB-CD1 4.23Å; K382-L409 HydrophobicContact CD-CD1 4.03Å; K382-L409 HydrophobicContact CG-CD1 3.82Å |
| 383 | A | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K379 R380 V381 I385 L386 E387 A406 L409 H410 | K379-A383 WeakPolarHBondContact O-CB 3.47Å; K379-A383 PolarHBondContact O-N 3Å; R380-A383 PolarHBondContact O-N 3.41Å; V381-A383 VanDerWaalsContact C-N 3.34Å; V381-A383 PolarHBondContact O-N 3.48Å; A383-I385 VanDerWaalsContact C-N 3.3Å; A383-I385 PolarHBondContact O-N 3.1Å; A383-L386 PolarHBondContact O-N 3.33Å; A383-E387 WeakPolarHBondContact O-CB 3.45Å; A383-E387 PolarHBondContact O-N 2.91Å; A383-A406 HydrophobicContact CB-CB 4.24Å; A383-L409 HydrophobicContact CB-CB 3.78Å; A383-L409 HydrophobicContact CB-CD1 4.33Å; A383-H410 WeakPolarHBondContact CB-CE1 3.44Å; A383-H410 WeakPolarHBondContact CB-NE2 3.13Å |
| 384 | L | 96.7 | Very high | 94.4 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.5 | -42.6 | 173.9 | -78.2 | 173.2 | 0 | 0 | 0 | 112.4 | Y341 R380 V381 K382 E387 E388 N434 | Y341-L384 HydrophobicContact CE1-CB 4.4Å; Y341-L384 HydrophobicContact CE1-CD1 4.39Å; Y341-L384 HydrophobicContact CE2-CB 4.28Å; R380-L384 WeakPolarHBondContact O-CG 3.24Å; R380-L384 PolarHBondContact O-N 3.24Å; V381-L384 WeakPolarHBondContact O-CB 3.48Å; V381-L384 PolarHBondContact O-N 3.42Å; K382-L384 PolarHBondContact O-N 2.99Å; L384-E387 PolarHBondContact O-N 3.27Å; L384-E388 PolarHBondContact O-N 2.68Å; L384-N434 WeakPolarHBondContact CD2-ND2 3.37Å |
| 385 | I | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.3 | -43.7 | 179.4 | -66.5 | 159.1 | 0 | 0 | 0 | 110.9 | Y341 F350 A353 L354 A357 V381 K382 A383 E387 E388 I389 | Y341-I385 HydrophobicContact CD2-CG1 3.59Å; Y341-I385 HydrophobicContact CE2-CG1 4.36Å; Y341-I385 HydrophobicContact CG-CG1 4.11Å; F350-I385 HydrophobicContact CB-CG2 3.66Å; F350-I385 HydrophobicContact CG-CG2 4.33Å; A353-I385 HydrophobicContact CB-CD1 3.78Å; A353-I385 HydrophobicContact CB-CG1 4.32Å; L354-I385 HydrophobicContact CB-CG2 3.94Å; L354-I385 HydrophobicContact CD1-CG2 4.15Å; A357-I385 HydrophobicContact CB-CD1 4.12Å; V381-I385 HydrophobicContact CG1-CD1 3.96Å; V381-I385 WeakPolarHBondContact O-CD1 3.38Å; V381-I385 WeakPolarHBondContact O-CG1 3.49Å; V381-I385 PolarHBondContact O-N 3.18Å; V381-I385 VanDerWaalsContact O-N 3.16Å; K382-I385 PolarHBondContact O-N 2.89Å; K382-I385 VanDerWaalsContact O-N 3.16Å; A383-I385 VanDerWaalsContact C-N 3.3Å; A383-I385 PolarHBondContact O-N 3.1Å; I385-E387 VanDerWaalsContact C-N 3.29Å; I385-E387 PolarHBondContact O-N 3.01Å; I385-E388 PolarHBondContact O-N 3.44Å; I385-I389 HydrophobicContact CG2-CD1 3.67Å; I385-I389 HydrophobicContact CG2-CG1 4.34Å; I385-I389 VanDerWaalsContact O-CG1 3.29Å; I385-I389 WeakPolarHBondContact O-CG1 3.4Å; I385-I389 PolarHBondContact O-N 3.42Å |
| 386 | L | 97.5 | Very high | 94.3 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -36.3 | 177.9 | -66.5 | 177.8 | 0 | 0 | 0 | 112 | L354 K382 A383 I389 A390 L402 D405 A406 L409 | L354-L386 HydrophobicContact CD1-CD2 4.25Å; K382-L386 HydrophobicContact CG-CD1 4.06Å; K382-L386 HydrophobicContact CG-CG 4.21Å; K382-L386 WeakPolarHBondContact O-CG 3.18Å; K382-L386 PolarHBondContact O-N 3.11Å; A383-L386 PolarHBondContact O-N 3.33Å; L386-I389 PolarHBondContact O-N 3.45Å; L386-A390 VanDerWaalsContact O-CB 3.3Å; L386-A390 WeakPolarHBondContact O-CB 3.34Å; L386-A390 PolarHBondContact O-N 3.48Å; L386-L402 HydrophobicContact CD2-CD2 3.92Å; L386-D405 HydrophobicContact CD1-CB 3.99Å; L386-A406 HydrophobicContact CB-CB 4.14Å; L386-L409 HydrophobicContact CD1-CD1 3.81Å |
| 387 | E | 95.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.3 | -51.8 | 173.8 | -175.9 | -170 | 142.4 | 0 | 0 | 111.1 | A383 L384 I385 I389 A390 I391 R437 L438 | A383-E387 WeakPolarHBondContact O-CB 3.45Å; A383-E387 PolarHBondContact O-N 2.91Å; L384-E387 PolarHBondContact O-N 3.27Å; I385-E387 VanDerWaalsContact C-N 3.29Å; I385-E387 PolarHBondContact O-N 3.01Å; E387-I389 PolarHBondContact O-N 3.11Å; E387-A390 WeakPolarHBondContact O-CB 3.43Å; E387-A390 PolarHBondContact O-N 3.02Å; E387-I391 HydrophobicContact CG-CD1 4.16Å; E387-I391 WeakPolarHBondContact O-CG1 3.48Å; E387-I391 PolarHBondContact O-N 3.42Å; E387-R437 IonicContact OE1-CZ 2.82Å; E387-R437 IonicContact OE1-NE 3.2Å; E387-R437 PolarHBondContact OE1-NE 2.79Å; E387-R437 IonicContact OE1-NH2 2.6Å; E387-R437 PolarHBondContact OE1-NH2 2.83Å; E387-R437 IonicContact OE2-NH2 2.7Å; E387-L438 HydrophobicContact CB-CD1 4.45Å; E387-L438 HydrophobicContact CG-CD1 4.21Å |
| 388 | E | 94.1 | Very high | 94.4 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 179.4 | -57.5 | -58.5 | 153.1 | 0 | 0 | 112.2 | Y341 Y345 F350 L384 I385 A390 I391 D392 R437 | Y341-E388 HydrophobicContact CE2-CG 3.61Å; Y341-E388 PolarHBondContact OH-OE1 3.21Å; Y341-E388 VanDerWaalsContact OH-OE1 3.09Å; Y345-E388 HydrophobicContact CE2-CG 4.24Å; Y345-E388 VanDerWaalsContact CE2-OE1 3.29Å; Y345-E388 WeakPolarHBondContact CE2-OE1 3.48Å; F350-E388 HydrophobicContact CD2-CB 3.98Å; F350-E388 HydrophobicContact CE2-CB 3.35Å; F350-E388 HydrophobicContact CE2-CG 4.07Å; F350-E388 HydrophobicContact CZ-CB 3.73Å; F350-E388 HydrophobicContact CZ-CG 3.9Å; L384-E388 PolarHBondContact O-N 2.68Å; I385-E388 PolarHBondContact O-N 3.44Å; E388-A390 PolarHBondContact O-N 3.33Å; E388-I391 PolarHBondContact O-N 3.18Å; E388-D392 PolarHBondContact O-N 3.36Å; E388-D392 VanDerWaalsContact O-N 3.17Å; E388-R437 IonicContact OE1-CZ 2.65Å; E388-R437 IonicContact OE1-NH2 3.49Å; E388-R437 PolarHBondContact OE1-NH2 3.35Å |
| 389 | I | 94.2 | Very high | 94.4 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.1 | -36.1 | 176.9 | -65.1 | 168.9 | 0 | 0 | 0 | 110.7 | F350 L354 I385 L386 E387 C393 L402 | F350-I389 HydrophobicContact CB-CD1 4.22Å; F350-I389 HydrophobicContact CB-CG1 4.21Å; F350-I389 HydrophobicContact CD2-CG1 3.99Å; L354-I389 HydrophobicContact CD2-CD1 4.04Å; I385-I389 HydrophobicContact CG2-CD1 3.67Å; I385-I389 HydrophobicContact CG2-CG1 4.34Å; I385-I389 VanDerWaalsContact O-CG1 3.29Å; I385-I389 WeakPolarHBondContact O-CG1 3.4Å; I385-I389 PolarHBondContact O-N 3.42Å; L386-I389 PolarHBondContact O-N 3.45Å; E387-I389 PolarHBondContact O-N 3.11Å; I389-C393 PolarHBondContact O-N 3.37Å; I389-L402 HydrophobicContact CG2-CD1 3.9Å |
| 390 | A | 94.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.5 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L386 E387 E388 D392 C393 E399 L402 L403 | L386-A390 VanDerWaalsContact O-CB 3.3Å; L386-A390 WeakPolarHBondContact O-CB 3.34Å; L386-A390 PolarHBondContact O-N 3.48Å; E387-A390 WeakPolarHBondContact O-CB 3.43Å; E387-A390 PolarHBondContact O-N 3.02Å; E388-A390 PolarHBondContact O-N 3.33Å; A390-D392 VanDerWaalsContact C-N 3.28Å; A390-D392 PolarHBondContact O-N 2.95Å; A390-C393 WeakPolarHBondContact O-CB 3.35Å; A390-C393 PolarHBondContact O-N 2.84Å; A390-E399 HydrophobicContact CB-CG 4.43Å; A390-L402 HydrophobicContact CB-CB 3.76Å; A390-L402 HydrophobicContact CB-CD1 4.28Å; A390-L403 HydrophobicContact CB-CD2 3.76Å; A390-L403 HydrophobicContact CB-CG 3.79Å |
| 391 | I | 89.9 | Confident | 94.3 | Very high | 86 Ų | 86 | 59.6 Ų | 59.6 | 44% | 0.441 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.6 | -37.6 | 179.8 | -66.9 | 164 | 0 | 0 | 0 | 111.3 | E387 E388 C393 | E387-I391 HydrophobicContact CG-CD1 4.16Å; E387-I391 WeakPolarHBondContact O-CG1 3.48Å; E387-I391 PolarHBondContact O-N 3.42Å; E388-I391 PolarHBondContact O-N 3.18Å; I391-C393 VanDerWaalsContact C-N 3.28Å; I391-C393 PolarHBondContact O-N 3.43Å |
| 392 | D | 88.6 | Confident | 94.4 | Very high | 98 Ų | 98 | 60.5 Ų | 60.5 | 52% | 0.524 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -4.9 | 177.1 | -74.9 | -17.5 | 0 | 0 | 0 | 113.3 | E388 A390 | E388-D392 PolarHBondContact O-N 3.36Å; E388-D392 VanDerWaalsContact O-N 3.17Å; A390-D392 VanDerWaalsContact C-N 3.28Å; A390-D392 PolarHBondContact O-N 2.95Å |
| 393 | C | 88.1 | Confident | 94.4 | Very high | 33 Ų | 33 | 58.9 Ų | 58.9 | 22% | 0.223 | 28% | 0.282 | C | S | . | . | trans | -77.6 | 128.5 | -176.8 | -163.8 | 0 | 0 | 0 | 0 | 112.1 | I389 A390 I391 N395 E399 | I389-C393 PolarHBondContact O-N 3.37Å; A390-C393 WeakPolarHBondContact O-CB 3.35Å; A390-C393 PolarHBondContact O-N 2.84Å; I391-C393 VanDerWaalsContact C-N 3.28Å; I391-C393 PolarHBondContact O-N 3.43Å; C393-N395 VanDerWaalsContact C-N 3.33Å; C393-E399 HydrophobicContact CB-CB 4.4Å | ||
| 394 | H | 86.6 | Confident | 94.4 | Very high | 193 Ų | 193 | 62.5 Ų | 62.5 | 89% | 0.894 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -84.4 | -5.9 | 176.1 | -57.2 | -37.3 | 0 | 0 | 0 | 114.1 | ||
| 395 | N | 94.8 | Very high | 94.4 | Very high | 80 Ų | 80 | 65.5 Ų | 65.5 | 43% | 0.428 | 32% | 0.315 | S | S | . | . | trans | -105.9 | 113.8 | 179.2 | -179.1 | -41.1 | 0 | 0 | 0 | 110.2 | C393 E397 T398 E399 | C393-N395 VanDerWaalsContact C-N 3.33Å; N395-E397 VanDerWaalsContact C-N 3.35Å; N395-E397 PolarHBondContact O-N 3.29Å; N395-E397 WeakPolarHBondContact OD1-CB 3.47Å; N395-E397 PolarHBondContact OD1-N 3.39Å; N395-T398 PolarHBondContact O-N 3.2Å; N395-T398 VanDerWaalsContact O-N 3.11Å; N395-T398 PolarHBondContact OD1-N 3.06Å; N395-E399 PolarHBondContact O-N 3.49Å | ||
| 396 | K | 92 | Very high | 94.5 | Very high | 134 Ų | 134 | 65.5 Ų | 65.5 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.8 | -37.6 | -176.7 | -165.7 | -178.2 | -176.1 | -151.2 | 0 | 114.3 | T398 E400 | K396-T398 VanDerWaalsContact C-N 3.32Å; K396-E400 WeakPolarHBondContact CE-OE1 3.39Å; K396-E400 HydrophobicContact CG-CG 4.5Å; K396-E400 IonicContact NZ-OE1 3.71Å; K396-E400 PolarHBondContact NZ-OE1 3Å; K396-E400 WeakPolarHBondContact O-CB 3.39Å; K396-E400 VanDerWaalsContact O-CG 3.3Å; K396-E400 WeakPolarHBondContact O-CG 3.18Å; K396-E400 PolarHBondContact O-N 3.49Å |
| 397 | E | 94.8 | Very high | 94.6 | Very high | 155 Ų | 155 | 66.1 Ų | 66.1 | 72% | 0.724 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.6 | -37.8 | 178 | -176 | -177.3 | 179 | 0 | 0 | 111 | N395 R401 | N395-E397 VanDerWaalsContact C-N 3.35Å; N395-E397 PolarHBondContact O-N 3.29Å; N395-E397 WeakPolarHBondContact OD1-CB 3.47Å; N395-E397 PolarHBondContact OD1-N 3.39Å; E397-R401 WeakPolarHBondContact O-CB 3.27Å; E397-R401 PolarHBondContact O-N 2.97Å; E397-R401 VanDerWaalsContact O-N 3.1Å |
| 398 | T | 94.8 | Very high | 94.7 | Very high | 41 Ų | 41 | 70.1 Ų | 70.1 | 25% | 0.252 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -71.3 | -43 | 176.8 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | N395 K396 R401 L402 | N395-T398 PolarHBondContact O-N 3.2Å; N395-T398 VanDerWaalsContact O-N 3.11Å; N395-T398 PolarHBondContact OD1-N 3.06Å; K396-T398 VanDerWaalsContact C-N 3.32Å; T398-R401 PolarHBondContact O-N 3.13Å; T398-L402 HydrophobicContact CG2-CD1 3.93Å; T398-L402 HydrophobicContact CG2-CG 4.34Å; T398-L402 WeakPolarHBondContact O-CB 3.32Å; T398-L402 VanDerWaalsContact O-CG 3.26Å; T398-L402 WeakPolarHBondContact O-CG 3.42Å; T398-L402 PolarHBondContact O-N 2.79Å |
| 399 | E | 95.6 | Very high | 94.9 | Very high | 39 Ų | 39 | 70.8 Ų | 70.8 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -53.9 | -54.6 | 171.8 | 177.9 | -169.3 | 169.2 | 0 | 0 | 110.8 | A390 C393 N395 R401 L402 L403 | A390-E399 HydrophobicContact CB-CG 4.43Å; C393-E399 HydrophobicContact CB-CB 4.4Å; N395-E399 PolarHBondContact O-N 3.49Å; E399-R401 VanDerWaalsContact C-N 3.32Å; E399-R401 PolarHBondContact O-N 3.31Å; E399-L402 PolarHBondContact O-N 3.03Å; E399-L403 HydrophobicContact CG-CD1 4.03Å; E399-L403 WeakPolarHBondContact O-CG 3.33Å; E399-L403 PolarHBondContact O-N 3.3Å |
| 400 | E | 95.6 | Very high | 95.1 | Very high | 109 Ų | 109 | 68.3 Ų | 68.3 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | -179.4 | -76 | 175.3 | -172.3 | 0 | 0 | 112 | K396 Q404 | K396-E400 WeakPolarHBondContact CE-OE1 3.39Å; K396-E400 HydrophobicContact CG-CG 4.5Å; K396-E400 IonicContact NZ-OE1 3.71Å; K396-E400 PolarHBondContact NZ-OE1 3Å; K396-E400 WeakPolarHBondContact O-CB 3.39Å; K396-E400 VanDerWaalsContact O-CG 3.3Å; K396-E400 WeakPolarHBondContact O-CG 3.18Å; K396-E400 PolarHBondContact O-N 3.49Å; E400-Q404 WeakPolarHBondContact O-CB 3.39Å; E400-Q404 PolarHBondContact O-N 3.47Å |
| 401 | R | 97.5 | Very high | 95.2 | Very high | 151 Ų | 151 | 71.7 Ų | 71.7 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.1 | -48 | 176.3 | -176.2 | -174.5 | 64.3 | 172.3 | -0.6 | 112.2 | E397 T398 E399 L403 Q404 D405 | E397-R401 WeakPolarHBondContact O-CB 3.27Å; E397-R401 PolarHBondContact O-N 2.97Å; E397-R401 VanDerWaalsContact O-N 3.1Å; T398-R401 PolarHBondContact O-N 3.13Å; E399-R401 VanDerWaalsContact C-N 3.32Å; E399-R401 PolarHBondContact O-N 3.31Å; R401-L403 PolarHBondContact O-N 2.86Å; R401-Q404 PolarHBondContact O-N 3.46Å; R401-D405 PolarHBondContact O-N 2.98Å |
| 402 | L | 97.9 | Very high | 95.6 | Very high | 21 Ų | 21 | 69.7 Ų | 69.7 | 11% | 0.11 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.9 | -39.7 | -178.8 | -70.5 | 172 | 0 | 0 | 0 | 111.9 | L386 I389 A390 T398 E399 Q404 D405 A406 | L386-L402 HydrophobicContact CD2-CD2 3.92Å; I389-L402 HydrophobicContact CG2-CD1 3.9Å; A390-L402 HydrophobicContact CB-CB 3.76Å; A390-L402 HydrophobicContact CB-CD1 4.28Å; T398-L402 HydrophobicContact CG2-CD1 3.93Å; T398-L402 HydrophobicContact CG2-CG 4.34Å; T398-L402 WeakPolarHBondContact O-CB 3.32Å; T398-L402 VanDerWaalsContact O-CG 3.26Å; T398-L402 WeakPolarHBondContact O-CG 3.42Å; T398-L402 PolarHBondContact O-N 2.79Å; E399-L402 PolarHBondContact O-N 3.03Å; L402-Q404 VanDerWaalsContact C-N 3.32Å; L402-D405 PolarHBondContact O-N 2.82Å; L402-A406 WeakPolarHBondContact O-CB 3.48Å; L402-A406 PolarHBondContact O-N 3.44Å |
| 403 | L | 98.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 174.2 | -68.9 | 176.7 | 0 | 0 | 0 | 111.8 | A390 E399 R401 A406 H407 L438 M442 | A390-L403 HydrophobicContact CB-CD2 3.76Å; A390-L403 HydrophobicContact CB-CG 3.79Å; E399-L403 HydrophobicContact CG-CD1 4.03Å; E399-L403 WeakPolarHBondContact O-CG 3.33Å; E399-L403 PolarHBondContact O-N 3.3Å; R401-L403 PolarHBondContact O-N 2.86Å; L403-A406 PolarHBondContact O-N 3.44Å; L403-H407 WeakPolarHBondContact O-CB 3.5Å; L403-H407 PolarHBondContact O-N 2.75Å; L403-L438 HydrophobicContact CD2-CD1 3.76Å; L403-M442 HydrophobicContact CB-CG 4.13Å; L403-M442 HydrophobicContact CD1-CG 4.2Å |
| 404 | Q | 98.2 | Very high | 96.4 | Very high | 76 Ų | 76 | 64.2 Ų | 64.2 | 36% | 0.355 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 174.5 | -170.9 | 56.8 | 53.6 | 0 | 0 | 112 | E400 R401 L402 A406 H407 D408 | E400-Q404 WeakPolarHBondContact O-CB 3.39Å; E400-Q404 PolarHBondContact O-N 3.47Å; R401-Q404 PolarHBondContact O-N 3.46Å; L402-Q404 VanDerWaalsContact C-N 3.32Å; Q404-A406 VanDerWaalsContact C-N 3.32Å; Q404-A406 PolarHBondContact O-N 2.91Å; Q404-H407 PolarHBondContact NE2-ND1 3.01Å; Q404-H407 WeakPolarHBondContact O-CB 3.32Å; Q404-H407 PolarHBondContact O-N 3.48Å; Q404-H407 VanDerWaalsContact O-N 3.15Å; Q404-D408 PolarHBondContact NE2-OD1 2.92Å; Q404-D408 PolarHBondContact O-N 3.04Å |
| 405 | D | 98.1 | Very high | 96.9 | Very high | 70 Ų | 70 | 60.7 Ų | 60.7 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 174.4 | -70.6 | -15 | 0 | 0 | 0 | 111.1 | L386 R401 L402 H407 D408 L409 | L386-D405 HydrophobicContact CD1-CB 3.99Å; R401-D405 PolarHBondContact O-N 2.98Å; L402-D405 PolarHBondContact O-N 2.82Å; D405-H407 VanDerWaalsContact C-N 3.33Å; D405-H407 PolarHBondContact O-N 2.82Å; D405-D408 PolarHBondContact O-N 3.22Å; D405-L409 WeakPolarHBondContact O-CB 3.45Å; D405-L409 VanDerWaalsContact O-CG 3.26Å; D405-L409 WeakPolarHBondContact O-CG 3.48Å; D405-L409 PolarHBondContact O-N 3.32Å; D405-L409 VanDerWaalsContact O-N 3.12Å |
| 406 | A | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A383 L386 L402 L403 Q404 L409 H410 L438 | A383-A406 HydrophobicContact CB-CB 4.24Å; L386-A406 HydrophobicContact CB-CB 4.14Å; L402-A406 WeakPolarHBondContact O-CB 3.48Å; L402-A406 PolarHBondContact O-N 3.44Å; L403-A406 PolarHBondContact O-N 3.44Å; Q404-A406 VanDerWaalsContact C-N 3.32Å; Q404-A406 PolarHBondContact O-N 2.91Å; A406-L409 PolarHBondContact O-N 3.11Å; A406-H410 WeakPolarHBondContact O-CB 3.19Å; A406-H410 PolarHBondContact O-N 3.41Å; A406-L438 HydrophobicContact CB-CD1 3.85Å; A406-L438 HydrophobicContact CB-CD2 4.35Å |
| 407 | H | 98.5 | Very high | 97.1 | Very high | 23 Ų | 23 | 51.3 Ų | 51.3 | 11% | 0.106 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.7 | -51.1 | 176.5 | -175.3 | -108.2 | 0 | 0 | 0 | 111.9 | L403 Q404 D405 L409 H410 L411 L438 Y439 | L403-H407 WeakPolarHBondContact O-CB 3.5Å; L403-H407 PolarHBondContact O-N 2.75Å; Q404-H407 PolarHBondContact NE2-ND1 3.01Å; Q404-H407 WeakPolarHBondContact O-CB 3.32Å; Q404-H407 PolarHBondContact O-N 3.48Å; Q404-H407 VanDerWaalsContact O-N 3.15Å; D405-H407 VanDerWaalsContact C-N 3.33Å; D405-H407 PolarHBondContact O-N 2.82Å; H407-L409 VanDerWaalsContact C-N 3.31Å; H407-L409 PolarHBondContact O-N 3.43Å; H407-H410 PolarHBondContact O-N 2.98Å; H407-L411 WeakPolarHBondContact CE1-CD1 3.29Å; H407-L411 WeakPolarHBondContact O-CG 3.42Å; H407-L411 PolarHBondContact O-N 3.33Å; H407-L438 HydrophobicContact CB-CD2 3.66Å; H407-Y439 AromaticContact CD2-CE1 3.49Å; H407-Y439 VanDerWaalsContact CD2-CE1 3.49Å; H407-Y439 WeakPolarHBondContact CD2-CE1 3.5Å; H407-Y439 AromaticContact NE2-CE1 3.39Å; H407-Y439 WeakPolarHBondContact NE2-CE1 3.38Å; H407-Y439 AromaticContact NE2-CZ 3.64Å; H407-Y439 PolarHBondContact NE2-OH 3.36Å; H407-Y439 VanDerWaalsContact NE2-OH 3.07Å |
| 408 | D | 98.2 | Very high | 97.2 | Very high | 87 Ų | 87 | 47.1 Ų | 47.1 | 47% | 0.465 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63 | -40.6 | -179.2 | -68.3 | -11.9 | 0 | 0 | 0 | 111.2 | Q404 D405 S412 | Q404-D408 PolarHBondContact NE2-OD1 2.92Å; Q404-D408 PolarHBondContact O-N 3.04Å; D405-D408 PolarHBondContact O-N 3.22Å; D408-S412 VanDerWaalsContact O-CB 3.27Å; D408-S412 WeakPolarHBondContact O-CB 3.5Å; D408-S412 PolarHBondContact O-N 3.43Å |
| 409 | L | 98.1 | Very high | 97.2 | Very high | 31 Ų | 31 | 52 Ų | 52 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65 | -44.2 | 175.7 | -72.9 | 170.6 | 0 | 0 | 0 | 112.3 | K379 K382 A383 L386 D405 A406 H407 S412 S413 | K379-L409 HydrophobicContact CB-CD2 3.98Å; K379-L409 HydrophobicContact CD-CD2 4.33Å; K379-L409 HydrophobicContact CG-CD2 3.82Å; K382-L409 HydrophobicContact CB-CD1 4.23Å; K382-L409 HydrophobicContact CD-CD1 4.03Å; K382-L409 HydrophobicContact CG-CD1 3.82Å; A383-L409 HydrophobicContact CB-CB 3.78Å; A383-L409 HydrophobicContact CB-CD1 4.33Å; L386-L409 HydrophobicContact CD1-CD1 3.81Å; D405-L409 WeakPolarHBondContact O-CB 3.45Å; D405-L409 VanDerWaalsContact O-CG 3.26Å; D405-L409 WeakPolarHBondContact O-CG 3.48Å; D405-L409 PolarHBondContact O-N 3.32Å; D405-L409 VanDerWaalsContact O-N 3.12Å; A406-L409 PolarHBondContact O-N 3.11Å; H407-L409 VanDerWaalsContact C-N 3.31Å; H407-L409 PolarHBondContact O-N 3.43Å; L409-S412 PolarHBondContact O-N 2.92Å; L409-S413 WeakPolarHBondContact O-CB 3.39Å; L409-S413 PolarHBondContact O-N 2.61Å; L409-S413 PolarHBondContact O-OG 3.26Å |
| 410 | H | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 177.1 | -84 | -36.1 | 0 | 0 | 0 | 112.3 | A383 A406 H407 S413 L414 L435 | A383-H410 WeakPolarHBondContact CB-CE1 3.44Å; A383-H410 WeakPolarHBondContact CB-NE2 3.13Å; A406-H410 WeakPolarHBondContact O-CB 3.19Å; A406-H410 PolarHBondContact O-N 3.41Å; H407-H410 PolarHBondContact O-N 2.98Å; H410-S413 PolarHBondContact O-N 3.44Å; H410-L414 WeakPolarHBondContact O-CB 3.25Å; H410-L414 PolarHBondContact O-N 2.84Å; H410-L435 HydrophobicContact CB-CD2 3.59Å; H410-L435 HydrophobicContact CB-CG 4.01Å |
| 411 | L | 98 | Very high | 97 | Very high | 71 Ų | 71 | 49 Ų | 49 | 37% | 0.372 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 175.4 | -74.9 | -174.9 | 0 | 0 | 0 | 112.1 | H407 S413 L414 Q415 L435 | H407-L411 WeakPolarHBondContact CE1-CD1 3.29Å; H407-L411 WeakPolarHBondContact O-CG 3.42Å; H407-L411 PolarHBondContact O-N 3.33Å; L411-S413 VanDerWaalsContact C-N 3.32Å; L411-S413 PolarHBondContact O-N 3.41Å; L411-L414 PolarHBondContact O-N 3.41Å; L411-Q415 WeakPolarHBondContact O-CB 3.42Å; L411-Q415 PolarHBondContact O-N 3.4Å; L411-L435 HydrophobicContact CD2-CD1 4.04Å; L411-L435 HydrophobicContact CD2-CD2 4.19Å; L411-L435 HydrophobicContact CG-CD2 4.45Å |
| 412 | S | 96.7 | Very high | 97 | Very high | 44 Ų | 44 | 43.3 Ų | 43.3 | 31% | 0.308 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.3 | -46 | 175.1 | -176.1 | 0 | 0 | 0 | 0 | 111 | K379 D408 L409 Q415 L416 | K379-S412 PolarHBondContact NZ-OG 3.29Å; D408-S412 VanDerWaalsContact O-CB 3.27Å; D408-S412 WeakPolarHBondContact O-CB 3.5Å; D408-S412 PolarHBondContact O-N 3.43Å; L409-S412 PolarHBondContact O-N 2.92Å; S412-Q415 PolarHBondContact O-N 2.92Å; S412-L416 WeakPolarHBondContact O-CG 3.44Å; S412-L416 PolarHBondContact O-N 2.77Å; S412-L416 VanDerWaalsContact O-N 3.11Å |
| 413 | S | 96.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.6 | -43.5 | 179.4 | -53.5 | 0 | 0 | 0 | 0 | 112.5 | A376 K379 R380 L409 H410 L411 Q415 L416 A417 H431 | A376-S413 WeakPolarHBondContact O-CB 3.32Å; A376-S413 PolarHBondContact O-OG 3.48Å; A376-S413 VanDerWaalsContact O-OG 3.12Å; K379-S413 WeakPolarHBondContact CB-OG 3Å; R380-S413 PolarHBondContact N-OG 2.93Å; L409-S413 WeakPolarHBondContact O-CB 3.39Å; L409-S413 PolarHBondContact O-N 2.61Å; L409-S413 PolarHBondContact O-OG 3.26Å; H410-S413 PolarHBondContact O-N 3.44Å; L411-S413 VanDerWaalsContact C-N 3.32Å; L411-S413 PolarHBondContact O-N 3.41Å; S413-Q415 VanDerWaalsContact C-N 3.33Å; S413-Q415 PolarHBondContact O-N 3.24Å; S413-L416 PolarHBondContact O-N 3.48Å; S413-A417 PolarHBondContact O-N 3.43Å; S413-H431 VanDerWaalsContact CB-CE1 3.45Å; S413-H431 WeakPolarHBondContact CB-CE1 3.49Å |
| 414 | L | 97.4 | Very high | 96.8 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 175.3 | 174.5 | 63 | 0 | 0 | 0 | 111.2 | H410 L411 L416 A417 K418 T428 H431 Y432 L435 | H410-L414 WeakPolarHBondContact O-CB 3.25Å; H410-L414 PolarHBondContact O-N 2.84Å; L411-L414 PolarHBondContact O-N 3.41Å; L414-L416 VanDerWaalsContact C-N 3.34Å; L414-L416 PolarHBondContact O-N 3.34Å; L414-A417 PolarHBondContact O-N 3.2Å; L414-K418 HydrophobicContact CD1-CD 3.95Å; L414-K418 HydrophobicContact CD1-CG 4.05Å; L414-K418 HydrophobicContact CG-CD 3.93Å; L414-K418 HydrophobicContact CG-CG 4.4Å; L414-K418 WeakPolarHBondContact O-CB 3.47Å; L414-K418 WeakPolarHBondContact O-CG 3.48Å; L414-K418 PolarHBondContact O-N 2.93Å; L414-T428 HydrophobicContact CD1-CG2 3.83Å; L414-H431 HydrophobicContact CB-CB 3.98Å; L414-H431 HydrophobicContact CD1-CB 3.79Å; L414-H431 HydrophobicContact CG-CB 4.46Å; L414-Y432 HydrophobicContact CD1-CD1 4.26Å; L414-Y432 HydrophobicContact CD1-CE1 3.92Å; L414-Y432 HydrophobicContact CD1-CE2 4.28Å; L414-Y432 HydrophobicContact CD2-CD1 4Å; L414-Y432 HydrophobicContact CD2-CE1 3.51Å; L414-Y432 HydrophobicContact CG-CE1 4.36Å; L414-L435 HydrophobicContact CD2-CD1 3.64Å |
| 415 | Q | 97 | Very high | 96.7 | Very high | 120 Ų | 120 | 46.1 Ų | 46.1 | 56% | 0.561 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.3 | -39.7 | -179.9 | -176.4 | 59 | 20.6 | 0 | 0 | 112 | L411 S412 S413 K419 | L411-Q415 WeakPolarHBondContact O-CB 3.42Å; L411-Q415 PolarHBondContact O-N 3.4Å; S412-Q415 PolarHBondContact O-N 2.92Å; S413-Q415 VanDerWaalsContact C-N 3.33Å; S413-Q415 PolarHBondContact O-N 3.24Å; Q415-K419 WeakPolarHBondContact O-CB 3.25Å; Q415-K419 PolarHBondContact O-N 3.01Å |
| 416 | L | 96.1 | Very high | 96.6 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 173.9 | -69.2 | 175.4 | 0 | 0 | 0 | 111.6 | D371 L373 L375 A376 S412 S413 L414 K418 K419 A420 | D371-L416 HydrophobicContact CB-CD2 4.24Å; D371-L416 WeakPolarHBondContact O-CD2 3.48Å; L373-L416 HydrophobicContact CD1-CB 4.18Å; L375-L416 HydrophobicContact CB-CD1 4.15Å; A376-L416 HydrophobicContact CB-CB 3.84Å; A376-L416 HydrophobicContact CB-CD1 4.03Å; S412-L416 WeakPolarHBondContact O-CG 3.44Å; S412-L416 PolarHBondContact O-N 2.77Å; S412-L416 VanDerWaalsContact O-N 3.11Å; S413-L416 PolarHBondContact O-N 3.48Å; L414-L416 VanDerWaalsContact C-N 3.34Å; L414-L416 PolarHBondContact O-N 3.34Å; L416-K418 PolarHBondContact O-N 3.38Å; L416-K419 PolarHBondContact O-N 3.49Å; L416-A420 WeakPolarHBondContact O-CB 3.49Å; L416-A420 PolarHBondContact O-N 2.96Å |
| 417 | A | 96.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | S413 L414 K419 A420 F421 H431 | S413-A417 PolarHBondContact O-N 3.43Å; L414-A417 PolarHBondContact O-N 3.2Å; A417-K419 PolarHBondContact O-N 2.88Å; A417-A420 PolarHBondContact O-N 3.4Å; A417-F421 HydrophobicContact CB-CD2 4.26Å; A417-F421 WeakPolarHBondContact O-CB 3.49Å; A417-F421 WeakPolarHBondContact O-CD2 3.45Å; A417-F421 PolarHBondContact O-N 2.93Å; A417-H431 VanDerWaalsContact CB-CD2 3.48Å; A417-H431 WeakPolarHBondContact CB-CD2 3.48Å |
| 418 | K | 96 | Very high | 96.4 | Very high | 67 Ų | 67 | 44.1 Ų | 44.1 | 29% | 0.291 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 175.7 | -76.4 | 176.1 | 58.9 | 136.4 | 0 | 112.5 | L414 L416 A420 G422 E423 T428 | L414-K418 HydrophobicContact CD1-CD 3.95Å; L414-K418 HydrophobicContact CD1-CG 4.05Å; L414-K418 HydrophobicContact CG-CD 3.93Å; L414-K418 HydrophobicContact CG-CG 4.4Å; L414-K418 WeakPolarHBondContact O-CB 3.47Å; L414-K418 WeakPolarHBondContact O-CG 3.48Å; L414-K418 PolarHBondContact O-N 2.93Å; L416-K418 PolarHBondContact O-N 3.38Å; K418-A420 VanDerWaalsContact C-N 3.33Å; K418-G422 WeakPolarHBondContact O-CA 3.47Å; K418-G422 PolarHBondContact O-N 3.02Å; K418-E423 VanDerWaalsContact CE-OE2 3.25Å; K418-E423 WeakPolarHBondContact CE-OE2 3.29Å; K418-E423 IonicContact NZ-OE2 3.8Å; K418-E423 PolarHBondContact NZ-OE2 3.47Å; K418-T428 HydrophobicContact CG-CG2 3.66Å |
| 419 | K | 94.5 | Very high | 96.4 | Very high | 145 Ų | 145 | 40 Ų | 40 | 63% | 0.63 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -63.7 | -38.8 | 176.7 | -177.9 | -179.8 | 175.2 | -177.7 | 0 | 111.7 | D371 Q415 L416 A417 | D371-K419 IonicContact OD2-NZ 2.96Å; D371-K419 PolarHBondContact OD2-NZ 3.16Å; Q415-K419 WeakPolarHBondContact O-CB 3.25Å; Q415-K419 PolarHBondContact O-N 3.01Å; L416-K419 PolarHBondContact O-N 3.49Å; A417-K419 PolarHBondContact O-N 2.88Å |
| 420 | A | 93.4 | Very high | 96.3 | Very high | 43 Ų | 43 | 41 Ų | 41 | 36% | 0.355 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -82.8 | -40.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L373 L416 A417 K418 | L373-A420 HydrophobicContact CD1-CB 3.67Å; L373-A420 HydrophobicContact CD2-CB 3.43Å; L373-A420 VanDerWaalsContact CD2-CB 3.43Å; L373-A420 HydrophobicContact CG-CB 4.1Å; L416-A420 WeakPolarHBondContact O-CB 3.49Å; L416-A420 PolarHBondContact O-N 2.96Å; A417-A420 PolarHBondContact O-N 3.4Å; K418-A420 VanDerWaalsContact C-N 3.33Å |
| 421 | F | 94.8 | Very high | 96.3 | Very high | 42 Ų | 42 | 41.4 Ų | 41.4 | 18% | 0.184 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -117.3 | -15.5 | -169 | -53.5 | -64.3 | 0 | 0 | 0 | 114.1 | Y179 A218 L373 A417 N425 Q427 | Y179-F421 HydrophobicContact CD2-CD1 4.44Å; Y179-F421 AromaticContact CD2-CE1 3.7Å; Y179-F421 HydrophobicContact CD2-CE1 3.7Å; Y179-F421 HydrophobicContact CD2-CZ 4.39Å; Y179-F421 HydrophobicContact CE2-CD1 4.49Å; Y179-F421 AromaticContact CE2-CE1 3.41Å; Y179-F421 HydrophobicContact CE2-CE1 3.41Å; Y179-F421 VanDerWaalsContact CE2-CE1 3.41Å; Y179-F421 AromaticContact CE2-CZ 3.69Å; Y179-F421 HydrophobicContact CE2-CZ 3.69Å; A218-F421 VanDerWaalsContact O-CE1 3.31Å; A218-F421 WeakPolarHBondContact O-CE1 3.49Å; L373-F421 HydrophobicContact CD1-CE2 4.23Å; L373-F421 HydrophobicContact CD2-CE1 4.45Å; L373-F421 HydrophobicContact CD2-CE2 4.01Å; L373-F421 HydrophobicContact CD2-CZ 3.75Å; A417-F421 HydrophobicContact CB-CD2 4.26Å; A417-F421 WeakPolarHBondContact O-CB 3.49Å; A417-F421 WeakPolarHBondContact O-CD2 3.45Å; A417-F421 PolarHBondContact O-N 2.93Å; F421-N425 HydrophobicContact CB-CB 3.67Å; F421-N425 VanDerWaalsContact CB-CG 3.46Å; F421-Q427 HydrophobicContact CD2-CB 4.08Å; F421-Q427 HydrophobicContact CE2-CB 4.03Å; F421-Q427 HydrophobicContact CE2-CG 4.18Å |
| 422 | G | 95.8 | Very high | 96.3 | Very high | 30 Ų | 30 | 38.4 Ų | 38.4 | 31% | 0.309 | 20% | 0.195 | S | C | . | . | trans | 85.7 | 179.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K418 T428 | K418-G422 WeakPolarHBondContact O-CA 3.47Å; K418-G422 PolarHBondContact O-N 3.02Å; G422-T428 PolarHBondContact O-OG1 3.29Å | ||
| 423 | E | 95.6 | Very high | 96.4 | Very high | 67 Ų | 67 | 36.6 Ų | 36.6 | 31% | 0.313 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -67.6 | -40.9 | -178.6 | -172.8 | 67.4 | -164 | 0 | 0 | 112 | K418 N425 Y432 K454 | K418-E423 VanDerWaalsContact CE-OE2 3.25Å; K418-E423 WeakPolarHBondContact CE-OE2 3.29Å; K418-E423 IonicContact NZ-OE2 3.8Å; K418-E423 PolarHBondContact NZ-OE2 3.47Å; E423-N425 PolarHBondContact O-N 3.2Å; E423-Y432 WeakPolarHBondContact OE1-CE2 3.49Å; E423-Y432 PolarHBondContact OE1-OH 3.38Å; E423-Y432 PolarHBondContact OE2-OH 3.18Å; E423-Y432 VanDerWaalsContact OE2-OH 3.08Å; E423-K454 WeakPolarHBondContact OE1-CE 3.15Å; E423-K454 IonicContact OE1-NZ 2.66Å; E423-K454 PolarHBondContact OE1-NZ 2.82Å |
| 424 | F | 96.5 | Very high | 96.5 | Very high | 87 Ų | 87 | 37.6 Ų | 37.6 | 38% | 0.382 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -97.4 | 69.5 | -171.3 | -160.9 | -103.2 | 0 | 0 | 0 | 110.9 | I458 Q461 L462 | F424-I458 HydrophobicContact CD2-CB 4.44Å; F424-I458 HydrophobicContact CD2-CG1 4.1Å; F424-I458 HydrophobicContact CD2-CG2 3.99Å; F424-I458 HydrophobicContact CE2-CB 4.22Å; F424-I458 HydrophobicContact CE2-CG1 4.17Å; F424-I458 HydrophobicContact CE2-CG2 3.97Å; F424-Q461 HydrophobicContact CE1-CG 4.18Å; F424-Q461 HydrophobicContact CE2-CB 4.12Å; F424-Q461 HydrophobicContact CE2-CG 4.1Å; F424-Q461 HydrophobicContact CZ-CB 3.59Å; F424-Q461 HydrophobicContact CZ-CG 3.36Å; F424-Q461 VanDerWaalsContact CZ-OE1 3.25Å; F424-L462 HydrophobicContact CD1-CD1 4.33Å; F424-L462 HydrophobicContact CD1-CD2 3.7Å; F424-L462 HydrophobicContact CD1-CG 4.06Å; F424-L462 HydrophobicContact CE1-CD1 4.15Å; F424-L462 HydrophobicContact CE1-CD2 3.19Å; F424-L462 HydrophobicContact CE1-CG 3.43Å; F424-L462 VanDerWaalsContact CE1-CG 3.43Å; F424-L462 HydrophobicContact CZ-CD1 4.35Å; F424-L462 HydrophobicContact CZ-CD2 3.93Å; F424-L462 HydrophobicContact CZ-CG 3.62Å |
| 425 | N | 96.8 | Very high | 96.5 | Very high | 10 Ų | 10 | 37 Ų | 37 | 5% | 0.053 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -143.4 | 148.6 | -179.4 | -172.8 | -88.6 | 0 | 0 | 0 | 111.5 | K219 F421 E423 Q427 T428 A429 | K219-N425 PolarHBondContact O-ND2 3.01Å; F421-N425 HydrophobicContact CB-CB 3.67Å; F421-N425 VanDerWaalsContact CB-CG 3.46Å; E423-N425 PolarHBondContact O-N 3.2Å; N425-Q427 PolarHBondContact O-N 3.42Å; N425-Q427 WeakPolarHBondContact OD1-CB 3.37Å; N425-Q427 PolarHBondContact OD1-N 3.22Å; N425-T428 PolarHBondContact O-N 2.88Å; N425-A429 PolarHBondContact O-N 2.88Å |
| 426 | V | 96.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.1 | -42.2 | -179.9 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | Y222 A429 K430 L462 L463 | Y222-V426 HydrophobicContact CE2-CB 4.47Å; Y222-V426 HydrophobicContact CE2-CG1 4.35Å; Y222-V426 HydrophobicContact CE2-CG2 4.18Å; V426-A429 PolarHBondContact O-N 2.87Å; V426-K430 WeakPolarHBondContact O-CG 3.34Å; V426-K430 PolarHBondContact O-N 3.34Å; V426-L462 HydrophobicContact CG2-CB 4.33Å; V426-L462 HydrophobicContact CG2-CD1 3.92Å; V426-L463 HydrophobicContact CG1-CD1 4.15Å; V426-L463 HydrophobicContact CG2-CD1 3.98Å; V426-L463 HydrophobicContact CG2-CD2 3.96Å; V426-L463 HydrophobicContact CG2-CG 4.03Å |
| 427 | Q | 95.2 | Very high | 96.6 | Very high | 50 Ų | 50 | 31.9 Ų | 31.9 | 23% | 0.234 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.3 | -41.5 | 179.1 | -56.3 | -54.9 | -34.5 | 0 | 0 | 111.3 | S220 Y222 F421 N425 A429 K430 H431 | S220-Q427 PolarHBondContact OG-NE2 2.89Å; Y222-Q427 PolarHBondContact OH-NE2 3.45Å; F421-Q427 HydrophobicContact CD2-CB 4.08Å; F421-Q427 HydrophobicContact CE2-CB 4.03Å; F421-Q427 HydrophobicContact CE2-CG 4.18Å; N425-Q427 PolarHBondContact O-N 3.42Å; N425-Q427 WeakPolarHBondContact OD1-CB 3.37Å; N425-Q427 PolarHBondContact OD1-N 3.22Å; Q427-A429 VanDerWaalsContact C-N 3.33Å; Q427-A429 PolarHBondContact O-N 2.99Å; Q427-K430 WeakPolarHBondContact O-CB 3.07Å; Q427-K430 PolarHBondContact O-N 3.48Å; Q427-H431 PolarHBondContact O-CD2 3.46Å; Q427-H431 PolarHBondContact O-N 3.04Å |
| 428 | T | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -43.5 | 173.3 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | L414 K418 G422 N425 K430 H431 Y432 | L414-T428 HydrophobicContact CD1-CG2 3.83Å; K418-T428 HydrophobicContact CG-CG2 3.66Å; G422-T428 PolarHBondContact O-OG1 3.29Å; N425-T428 PolarHBondContact O-N 2.88Å; T428-K430 VanDerWaalsContact C-N 3.34Å; T428-K430 PolarHBondContact O-N 3.46Å; T428-H431 PolarHBondContact O-N 3.45Å; T428-Y432 HydrophobicContact CG2-CD2 4.36Å; T428-Y432 HydrophobicContact CG2-CE2 3.8Å; T428-Y432 PolarHBondContact O-N 3.14Å |
| 429 | A | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.4 | -34.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | N425 V426 Q427 H431 Y432 G433 A455 I458 K459 | N425-A429 PolarHBondContact O-N 2.88Å; V426-A429 PolarHBondContact O-N 2.87Å; Q427-A429 VanDerWaalsContact C-N 3.33Å; Q427-A429 PolarHBondContact O-N 2.99Å; A429-H431 VanDerWaalsContact C-N 3.34Å; A429-H431 PolarHBondContact O-N 3.05Å; A429-Y432 PolarHBondContact O-N 3.07Å; A429-G433 PolarHBondContact O-N 2.84Å; A429-A455 WeakPolarHBondContact O-CB 3.39Å; A429-I458 HydrophobicContact CB-CB 3.98Å; A429-I458 HydrophobicContact CB-CG2 3.79Å; A429-K459 HydrophobicContact CB-CG 3.88Å |
| 430 | K | 96.8 | Very high | 97 | Very high | 53 Ų | 53 | 24.7 Ų | 24.7 | 23% | 0.23 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58 | -47.1 | 172.6 | -73.4 | -177.9 | -179.9 | -154.2 | 0 | 111.2 | V426 Q427 T428 Y432 G433 N434 E469 | V426-K430 WeakPolarHBondContact O-CG 3.34Å; V426-K430 PolarHBondContact O-N 3.34Å; Q427-K430 WeakPolarHBondContact O-CB 3.07Å; Q427-K430 PolarHBondContact O-N 3.48Å; T428-K430 VanDerWaalsContact C-N 3.34Å; T428-K430 PolarHBondContact O-N 3.46Å; K430-Y432 VanDerWaalsContact C-N 3.32Å; K430-Y432 PolarHBondContact O-N 2.74Å; K430-G433 PolarHBondContact O-N 3.37Å; K430-G433 VanDerWaalsContact O-N 3.1Å; K430-N434 PolarHBondContact O-N 3.16Å; K430-N434 PolarHBondContact O-OD1 3.41Å; K430-E469 WeakPolarHBondContact CE-OE1 3.22Å; K430-E469 VanDerWaalsContact CE-OE2 3.23Å; K430-E469 WeakPolarHBondContact CE-OE2 3.43Å; K430-E469 IonicContact NZ-OE1 2.67Å; K430-E469 PolarHBondContact NZ-OE1 3.21Å; K430-E469 IonicContact NZ-OE2 2.85Å |
| 431 | H | 97.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 23.9 Ų | 23.9 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62 | -36.8 | 177.8 | -66.7 | -67.9 | 0 | 0 | 0 | 113.1 | S413 L414 A417 Q427 T428 A429 N434 L435 | S413-H431 VanDerWaalsContact CB-CE1 3.45Å; S413-H431 WeakPolarHBondContact CB-CE1 3.49Å; L414-H431 HydrophobicContact CB-CB 3.98Å; L414-H431 HydrophobicContact CD1-CB 3.79Å; L414-H431 HydrophobicContact CG-CB 4.46Å; A417-H431 VanDerWaalsContact CB-CD2 3.48Å; A417-H431 WeakPolarHBondContact CB-CD2 3.48Å; Q427-H431 PolarHBondContact O-CD2 3.46Å; Q427-H431 PolarHBondContact O-N 3.04Å; T428-H431 PolarHBondContact O-N 3.45Å; A429-H431 VanDerWaalsContact C-N 3.34Å; A429-H431 PolarHBondContact O-N 3.05Å; H431-N434 PolarHBondContact O-N 3.38Å; H431-L435 PolarHBondContact O-N 3.49Å |
| 432 | Y | 98.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 23.8 Ų | 23.8 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 171.2 | -72 | -51.4 | 0 | 0 | 0 | 111.9 | L414 E423 T428 A429 K430 N434 L435 G436 M451 K454 I458 | L414-Y432 HydrophobicContact CD1-CD1 4.26Å; L414-Y432 HydrophobicContact CD1-CE1 3.92Å; L414-Y432 HydrophobicContact CD1-CE2 4.28Å; L414-Y432 HydrophobicContact CD2-CD1 4Å; L414-Y432 HydrophobicContact CD2-CE1 3.51Å; L414-Y432 HydrophobicContact CG-CE1 4.36Å; E423-Y432 WeakPolarHBondContact OE1-CE2 3.49Å; E423-Y432 PolarHBondContact OE1-OH 3.38Å; E423-Y432 PolarHBondContact OE2-OH 3.18Å; E423-Y432 VanDerWaalsContact OE2-OH 3.08Å; T428-Y432 HydrophobicContact CG2-CD2 4.36Å; T428-Y432 HydrophobicContact CG2-CE2 3.8Å; T428-Y432 PolarHBondContact O-N 3.14Å; A429-Y432 PolarHBondContact O-N 3.07Å; K430-Y432 VanDerWaalsContact C-N 3.32Å; K430-Y432 PolarHBondContact O-N 2.74Å; Y432-N434 VanDerWaalsContact C-N 3.3Å; Y432-N434 PolarHBondContact O-N 2.88Å; Y432-L435 PolarHBondContact O-N 3.45Å; Y432-G436 PolarHBondContact O-N 3.22Å; Y432-M451 HydrophobicContact CD1-SD 3.64Å; Y432-M451 HydrophobicContact CE1-SD 4.2Å; Y432-M451 WeakPolarHBondContact O-CB 3.3Å; Y432-K454 HydrophobicContact CD1-CD 4.32Å; Y432-K454 HydrophobicContact CD2-CD 4.16Å; Y432-K454 HydrophobicContact CD2-CG 4.28Å; Y432-K454 HydrophobicContact CE1-CD 4.2Å; Y432-K454 HydrophobicContact CE2-CD 4.03Å; Y432-K454 HydrophobicContact CE2-CG 4.47Å; Y432-K454 HydrophobicContact CG-CD 4.33Å; Y432-K454 VanDerWaalsContact CZ-NZ 3.29Å; Y432-K454 PolarHBondContact OH-NZ 3.17Å; Y432-I458 HydrophobicContact CD2-CD1 4.15Å; Y432-I458 HydrophobicContact CE2-CD1 4.17Å |
| 433 | G | 97.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 6% | 0.062 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A429 K430 G436 R437 H452 | A429-G433 PolarHBondContact O-N 2.84Å; K430-G433 PolarHBondContact O-N 3.37Å; K430-G433 VanDerWaalsContact O-N 3.1Å; G433-G436 PolarHBondContact O-N 3.44Å; G433-R437 PolarHBondContact O-N 3.33Å; G433-R437 VanDerWaalsContact O-N 3.15Å; G433-H452 PolarHBondContact O-CE1 3.37Å |
| 434 | N | 97.7 | Very high | 97.4 | Very high | 21 Ų | 21 | 31 Ų | 31 | 11% | 0.112 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.7 | -40.8 | 174.6 | -69 | 119 | 0 | 0 | 0 | 112.6 | L384 K430 H431 Y432 G436 R437 L438 | L384-N434 WeakPolarHBondContact CD2-ND2 3.37Å; K430-N434 PolarHBondContact O-N 3.16Å; K430-N434 PolarHBondContact O-OD1 3.41Å; H431-N434 PolarHBondContact O-N 3.38Å; Y432-N434 VanDerWaalsContact C-N 3.3Å; Y432-N434 PolarHBondContact O-N 2.88Å; N434-G436 VanDerWaalsContact C-N 3.29Å; N434-G436 PolarHBondContact O-N 3.16Å; N434-R437 WeakPolarHBondContact O-CB 3.48Å; N434-R437 PolarHBondContact O-N 3.21Å; N434-L438 PolarHBondContact O-N 2.91Å |
| 435 | L | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.3 | -36.3 | 172.5 | -79.7 | 167.8 | 0 | 0 | 0 | 112.2 | H410 L411 L414 H431 Y432 L438 Y439 M451 | H410-L435 HydrophobicContact CB-CD2 3.59Å; H410-L435 HydrophobicContact CB-CG 4.01Å; L411-L435 HydrophobicContact CD2-CD1 4.04Å; L411-L435 HydrophobicContact CD2-CD2 4.19Å; L411-L435 HydrophobicContact CG-CD2 4.45Å; L414-L435 HydrophobicContact CD2-CD1 3.64Å; H431-L435 PolarHBondContact O-N 3.49Å; Y432-L435 PolarHBondContact O-N 3.45Å; L435-L438 PolarHBondContact O-N 3.15Å; L435-Y439 HydrophobicContact CB-CE2 4.46Å; L435-Y439 WeakPolarHBondContact O-CB 3.43Å; L435-Y439 WeakPolarHBondContact O-CD2 3.35Å; L435-Y439 VanDerWaalsContact O-CG 3.32Å; L435-Y439 PolarHBondContact O-N 3.19Å; L435-M451 HydrophobicContact CB-CG 4.24Å |
| 436 | G | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58 | -50.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y432 G433 N434 L438 Y439 Q440 A448 H452 | Y432-G436 PolarHBondContact O-N 3.22Å; G433-G436 PolarHBondContact O-N 3.44Å; N434-G436 VanDerWaalsContact C-N 3.29Å; N434-G436 PolarHBondContact O-N 3.16Å; G436-L438 PolarHBondContact O-N 3.08Å; G436-Y439 PolarHBondContact O-N 3.06Å; G436-Q440 PolarHBondContact O-N 3.19Å; G436-A448 VanDerWaalsContact O-CB 3.22Å; G436-A448 WeakPolarHBondContact O-CB 3.42Å; G436-H452 VanDerWaalsContact C-NE2 3.26Å |
| 437 | R | 97.4 | Very high | 97.7 | Very high | 28 Ų | 28 | 40.1 Ų | 40.1 | 11% | 0.106 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.8 | -49 | 174 | -79.5 | -171.3 | 47.1 | -177.6 | -10.4 | 112.6 | E387 E388 G433 N434 Y439 Q440 S441 H452 H476 | E387-R437 IonicContact OE1-CZ 2.82Å; E387-R437 IonicContact OE1-NE 3.2Å; E387-R437 PolarHBondContact OE1-NE 2.79Å; E387-R437 IonicContact OE1-NH2 2.6Å; E387-R437 PolarHBondContact OE1-NH2 2.83Å; E387-R437 IonicContact OE2-NH2 2.7Å; E388-R437 IonicContact OE1-CZ 2.65Å; E388-R437 IonicContact OE1-NH2 3.49Å; E388-R437 PolarHBondContact OE1-NH2 3.35Å; G433-R437 PolarHBondContact O-N 3.33Å; G433-R437 VanDerWaalsContact O-N 3.15Å; N434-R437 WeakPolarHBondContact O-CB 3.48Å; N434-R437 PolarHBondContact O-N 3.21Å; R437-Y439 VanDerWaalsContact C-N 3.32Å; R437-Y439 PolarHBondContact O-N 2.81Å; R437-Q440 VanDerWaalsContact O-CB 3.29Å; R437-Q440 WeakPolarHBondContact O-CB 3.07Å; R437-Q440 PolarHBondContact O-N 3.24Å; R437-Q440 VanDerWaalsContact O-N 3.12Å; R437-S441 PolarHBondContact O-N 3.28Å; R437-S441 PolarHBondContact O-OG 3.21Å; R437-H452 PolarHBondContact N-CE1 3.35Å; R437-H452 PolarHBondContact N-NE2 3.06Å; R437-H476 HydrophobicContact CG-CB 4.4Å |
| 438 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -42.9 | 179 | 179.1 | 69.2 | 0 | 0 | 0 | 111.8 | E387 L403 A406 H407 N434 L435 G436 Q440 S441 M442 | E387-L438 HydrophobicContact CB-CD1 4.45Å; E387-L438 HydrophobicContact CG-CD1 4.21Å; L403-L438 HydrophobicContact CD2-CD1 3.76Å; A406-L438 HydrophobicContact CB-CD1 3.85Å; A406-L438 HydrophobicContact CB-CD2 4.35Å; H407-L438 HydrophobicContact CB-CD2 3.66Å; N434-L438 PolarHBondContact O-N 2.91Å; L435-L438 PolarHBondContact O-N 3.15Å; G436-L438 PolarHBondContact O-N 3.08Å; L438-Q440 VanDerWaalsContact C-N 3.29Å; L438-Q440 PolarHBondContact O-N 3.09Å; L438-S441 WeakPolarHBondContact O-CB 3.38Å; L438-S441 PolarHBondContact O-N 3.42Å; L438-S441 VanDerWaalsContact O-N 3.15Å; L438-M442 HydrophobicContact CG-CG 4.43Å; L438-M442 HydrophobicContact CG-SD 4.3Å; L438-M442 WeakPolarHBondContact O-CG 3.41Å; L438-M442 PolarHBondContact O-N 2.92Å |
| 439 | Y | 98.6 | Very high | 97.9 | Very high | 35 Ų | 35 | 39.8 Ų | 39.8 | 14% | 0.137 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.9 | -33.3 | 177.2 | -73.1 | -30.5 | 0 | 0 | 0 | 112.6 | H407 L435 G436 R437 M442 R443 K444 E447 M451 | H407-Y439 AromaticContact CD2-CE1 3.49Å; H407-Y439 VanDerWaalsContact CD2-CE1 3.49Å; H407-Y439 WeakPolarHBondContact CD2-CE1 3.5Å; H407-Y439 AromaticContact NE2-CE1 3.39Å; H407-Y439 WeakPolarHBondContact NE2-CE1 3.38Å; H407-Y439 AromaticContact NE2-CZ 3.64Å; H407-Y439 PolarHBondContact NE2-OH 3.36Å; H407-Y439 VanDerWaalsContact NE2-OH 3.07Å; L435-Y439 HydrophobicContact CB-CE2 4.46Å; L435-Y439 WeakPolarHBondContact O-CB 3.43Å; L435-Y439 WeakPolarHBondContact O-CD2 3.35Å; L435-Y439 VanDerWaalsContact O-CG 3.32Å; L435-Y439 PolarHBondContact O-N 3.19Å; G436-Y439 PolarHBondContact O-N 3.06Å; R437-Y439 VanDerWaalsContact C-N 3.32Å; R437-Y439 PolarHBondContact O-N 2.81Å; Y439-M442 HydrophobicContact CD1-SD 4.06Å; Y439-M442 HydrophobicContact CE1-SD 4.41Å; Y439-M442 CarbonylContact O-C 3.59Å; Y439-M442 PolarHBondContact O-N 3.42Å; Y439-R443 PolarHBondContact O-N 3.49Å; Y439-R443 VanDerWaalsContact O-N 3.12Å; Y439-K444 HydrophobicContact CD1-CD 4.02Å; Y439-K444 HydrophobicContact CE1-CD 4.41Å; Y439-K444 HydrophobicContact CG-CB 4.5Å; Y439-K444 WeakPolarHBondContact O-CA 3.25Å; Y439-K444 PolarHBondContact O-N 2.88Å; Y439-E447 HydrophobicContact CD2-CB 3.68Å; Y439-E447 HydrophobicContact CE2-CB 4.08Å; Y439-E447 HydrophobicContact CG-CB 4.09Å; Y439-M451 HydrophobicContact CD2-CG 3.93Å; Y439-M451 HydrophobicContact CE2-CG 3.91Å |
| 440 | Q | 97.6 | Very high | 97.9 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 12% | 0.121 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.8 | -49.1 | 169.5 | -176.6 | -178.2 | 4.3 | 0 | 0 | 110.5 | G436 R437 L438 M442 R443 A448 L480 D484 | G436-Q440 PolarHBondContact O-N 3.19Å; R437-Q440 VanDerWaalsContact O-CB 3.29Å; R437-Q440 WeakPolarHBondContact O-CB 3.07Å; R437-Q440 PolarHBondContact O-N 3.24Å; R437-Q440 VanDerWaalsContact O-N 3.12Å; L438-Q440 VanDerWaalsContact C-N 3.29Å; L438-Q440 PolarHBondContact O-N 3.09Å; Q440-M442 VanDerWaalsContact C-N 3.28Å; Q440-M442 PolarHBondContact O-N 2.97Å; Q440-R443 WeakPolarHBondContact O-CA 3.45Å; Q440-R443 PolarHBondContact O-N 3.4Å; Q440-A448 HydrophobicContact CB-CB 4.18Å; Q440-L480 HydrophobicContact CB-CD1 4.14Å; Q440-L480 HydrophobicContact CG-CD1 3.76Å; Q440-D484 WeakPolarHBondContact CG-OD2 3.45Å; Q440-D484 PolarHBondContact NE2-OD2 3.12Å |
| 441 | S | 96.6 | Very high | 98 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -34.6 | 176.3 | -54.6 | 0 | 0 | 0 | 0 | 112.9 | R437 L438 R443 | R437-S441 PolarHBondContact O-N 3.28Å; R437-S441 PolarHBondContact O-OG 3.21Å; L438-S441 WeakPolarHBondContact O-CB 3.38Å; L438-S441 PolarHBondContact O-N 3.42Å; L438-S441 VanDerWaalsContact O-N 3.15Å; S441-R443 PolarHBondContact O-N 3.09Å |
| 442 | M | 97.3 | Very high | 98.1 | Very high | 40 Ų | 40 | 44.2 Ų | 44.2 | 20% | 0.197 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 0.6 | 172.4 | -64 | -177.8 | 92.3 | 0 | 0 | 114.2 | L403 L438 Y439 Q440 K444 | L403-M442 HydrophobicContact CB-CG 4.13Å; L403-M442 HydrophobicContact CD1-CG 4.2Å; L438-M442 HydrophobicContact CG-CG 4.43Å; L438-M442 HydrophobicContact CG-SD 4.3Å; L438-M442 WeakPolarHBondContact O-CG 3.41Å; L438-M442 PolarHBondContact O-N 2.92Å; Y439-M442 HydrophobicContact CD1-SD 4.06Å; Y439-M442 HydrophobicContact CE1-SD 4.41Å; Y439-M442 CarbonylContact O-C 3.59Å; Y439-M442 PolarHBondContact O-N 3.42Å; Q440-M442 VanDerWaalsContact C-N 3.28Å; Q440-M442 PolarHBondContact O-N 2.97Å; M442-K444 VanDerWaalsContact C-N 3.27Å; M442-K444 HydrophobicContact CB-CD 4.29Å; M442-K444 HydrophobicContact CB-CG 4.24Å; M442-K444 PolarHBondContact O-N 3.36Å |
| 443 | R | 96.8 | Very high | 98.1 | Very high | 176 Ų | 176 | 46.6 Ų | 46.6 | 66% | 0.664 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 26.5 | -177.4 | -46 | 177 | -170.7 | -155.3 | 0.4 | 114.4 | Y439 Q440 S441 F445 | Y439-R443 PolarHBondContact O-N 3.49Å; Y439-R443 VanDerWaalsContact O-N 3.12Å; Q440-R443 WeakPolarHBondContact O-CA 3.45Å; Q440-R443 PolarHBondContact O-N 3.4Å; S441-R443 PolarHBondContact O-N 3.09Å; R443-F445 HydrophobicContact CB-CE1 4.31Å; R443-F445 HydrophobicContact CB-CE2 4.4Å; R443-F445 HydrophobicContact CB-CZ 3.91Å; R443-F445 HydrophobicContact CG-CZ 4.37Å; R443-F445 PolarHBondContact O-N 2.85Å |
| 444 | K | 98.2 | Very high | 98.1 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | trans | -99.3 | 66.4 | 176.1 | -65.2 | 179.1 | -175.2 | 170.7 | 0 | 109.9 | Y439 M442 K446 E447 A448 | Y439-K444 HydrophobicContact CD1-CD 4.02Å; Y439-K444 HydrophobicContact CE1-CD 4.41Å; Y439-K444 HydrophobicContact CG-CB 4.5Å; Y439-K444 WeakPolarHBondContact O-CA 3.25Å; Y439-K444 PolarHBondContact O-N 2.88Å; M442-K444 VanDerWaalsContact C-N 3.27Å; M442-K444 HydrophobicContact CB-CD 4.29Å; M442-K444 HydrophobicContact CB-CG 4.24Å; M442-K444 PolarHBondContact O-N 3.36Å; K444-K446 VanDerWaalsContact C-N 3.34Å; K444-K446 PolarHBondContact O-N 3.23Å; K444-E447 HydrophobicContact CB-CB 4.28Å; K444-E447 PolarHBondContact O-N 3.29Å; K444-A448 WeakPolarHBondContact O-CB 3.44Å; K444-A448 PolarHBondContact O-N 3Å | ||
| 445 | F | 98.4 | Very high | 98.1 | Very high | 58 Ų | 58 | 48.3 Ų | 48.3 | 25% | 0.254 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.1 | -31.2 | -164.9 | -53.7 | -50.6 | 0 | 0 | 0 | 114.5 | R443 A448 E449 L480 D484 M485 | R443-F445 HydrophobicContact CB-CE1 4.31Å; R443-F445 HydrophobicContact CB-CE2 4.4Å; R443-F445 HydrophobicContact CB-CZ 3.91Å; R443-F445 HydrophobicContact CG-CZ 4.37Å; R443-F445 PolarHBondContact O-N 2.85Å; F445-A448 WeakPolarHBondContact O-CB 3.43Å; F445-A448 PolarHBondContact O-N 3.25Å; F445-E449 WeakPolarHBondContact O-CB 3.26Å; F445-E449 PolarHBondContact O-N 3.12Å; F445-L480 HydrophobicContact CB-CD1 4.07Å; F445-L480 HydrophobicContact CD1-CD1 3.72Å; F445-L480 HydrophobicContact CG-CD1 4.29Å; F445-D484 HydrophobicContact CD1-CB 3.61Å; F445-D484 HydrophobicContact CD2-CB 4.3Å; F445-D484 HydrophobicContact CE1-CB 3.41Å; F445-D484 VanDerWaalsContact CE1-CB 3.41Å; F445-D484 VanDerWaalsContact CE1-OD1 3.32Å; F445-D484 WeakPolarHBondContact CE1-OD1 3.33Å; F445-D484 HydrophobicContact CE2-CB 4.14Å; F445-D484 HydrophobicContact CG-CB 4.05Å; F445-D484 HydrophobicContact CZ-CB 3.69Å; F445-D484 WeakPolarHBondContact CZ-OD1 3.42Å; F445-M485 HydrophobicContact CB-CE 4.49Å; F445-M485 HydrophobicContact CB-CG 4.38Å |
| 446 | K | 98.1 | Very high | 98.2 | Very high | 149 Ų | 149 | 48.9 Ų | 48.9 | 65% | 0.648 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -69.7 | -46 | 176.9 | -69.8 | -176.1 | 177.4 | -177.7 | 0 | 111.1 | K444 A448 E449 E450 | K444-K446 VanDerWaalsContact C-N 3.34Å; K444-K446 PolarHBondContact O-N 3.23Å; K446-A448 VanDerWaalsContact C-N 3.27Å; K446-A448 PolarHBondContact O-N 2.84Å; K446-E449 PolarHBondContact O-N 3.12Å; K446-E450 WeakPolarHBondContact O-CG 3.41Å; K446-E450 PolarHBondContact O-N 2.83Å |
| 447 | E | 98.4 | Very high | 98.2 | Very high | 82 Ų | 82 | 54.4 Ų | 54.4 | 38% | 0.383 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.2 | -37.1 | 175.4 | -61.2 | 93 | 141.3 | 0 | 0 | 111.1 | Y439 K444 M451 | Y439-E447 HydrophobicContact CD2-CB 3.68Å; Y439-E447 HydrophobicContact CE2-CB 4.08Å; Y439-E447 HydrophobicContact CG-CB 4.09Å; K444-E447 HydrophobicContact CB-CB 4.28Å; K444-E447 PolarHBondContact O-N 3.29Å; E447-M451 VanDerWaalsContact O-CG 3.28Å; E447-M451 WeakPolarHBondContact O-CG 3.38Å; E447-M451 PolarHBondContact O-N 3.24Å; E447-M451 VanDerWaalsContact O-N 3.12Å |
| 448 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -50.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G436 Q440 K444 F445 K446 E450 M451 H452 L480 | G436-A448 VanDerWaalsContact O-CB 3.22Å; G436-A448 WeakPolarHBondContact O-CB 3.42Å; Q440-A448 HydrophobicContact CB-CB 4.18Å; K444-A448 WeakPolarHBondContact O-CB 3.44Å; K444-A448 PolarHBondContact O-N 3Å; F445-A448 WeakPolarHBondContact O-CB 3.43Å; F445-A448 PolarHBondContact O-N 3.25Å; K446-A448 VanDerWaalsContact C-N 3.27Å; K446-A448 PolarHBondContact O-N 2.84Å; A448-E450 PolarHBondContact O-N 3.43Å; A448-M451 PolarHBondContact O-N 2.98Å; A448-H452 PolarHBondContact O-CD2 3.09Å; A448-H452 PolarHBondContact O-N 2.8Å; A448-L480 HydrophobicContact CB-CD1 4.09Å; A448-L480 HydrophobicContact CB-CD2 3.83Å |
| 449 | E | 98.6 | Very high | 98.2 | Very high | 44 Ų | 44 | 54 Ų | 54 | 21% | 0.206 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.6 | -48.4 | 178.3 | -178.9 | 176.3 | -152.7 | 0 | 0 | 111.5 | F445 K446 M451 H452 I453 L477 L480 Y481 | F445-E449 WeakPolarHBondContact O-CB 3.26Å; F445-E449 PolarHBondContact O-N 3.12Å; K446-E449 PolarHBondContact O-N 3.12Å; E449-M451 VanDerWaalsContact C-N 3.31Å; E449-M451 PolarHBondContact O-N 3.21Å; E449-H452 PolarHBondContact O-N 2.82Å; E449-I453 HydrophobicContact CG-CD1 3.71Å; E449-I453 HydrophobicContact CG-CG1 4.37Å; E449-I453 WeakPolarHBondContact O-CB 3.32Å; E449-I453 WeakPolarHBondContact O-CG1 3.38Å; E449-I453 PolarHBondContact O-N 2.94Å; E449-L477 HydrophobicContact CG-CD1 4.29Å; E449-L480 HydrophobicContact CB-CD2 3.75Å; E449-Y481 HydrophobicContact CG-CE1 4.14Å; E449-Y481 WeakPolarHBondContact OE1-CE1 3.48Å; E449-Y481 VanDerWaalsContact OE1-CZ 3.27Å; E449-Y481 PolarHBondContact OE1-OH 3.34Å |
| 450 | E | 98.6 | Very high | 98.2 | Very high | 122 Ų | 122 | 54.6 Ų | 54.6 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -56.3 | -44.8 | 177.5 | -74.5 | 177.8 | -173.2 | 0 | 0 | 112 | K446 A448 K454 | K446-E450 WeakPolarHBondContact O-CG 3.41Å; K446-E450 PolarHBondContact O-N 2.83Å; A448-E450 PolarHBondContact O-N 3.43Å; E450-K454 WeakPolarHBondContact O-CB 3.19Å; E450-K454 PolarHBondContact O-N 3.42Å |
| 451 | M | 98.7 | Very high | 98.1 | Very high | 32 Ų | 32 | 60.4 Ų | 60.4 | 16% | 0.158 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.6 | -39.9 | 179.8 | -69 | -54.2 | 95.6 | 0 | 0 | 112.3 | Y432 L435 Y439 E447 A448 E449 A455 | Y432-M451 HydrophobicContact CD1-SD 3.64Å; Y432-M451 HydrophobicContact CE1-SD 4.2Å; Y432-M451 WeakPolarHBondContact O-CB 3.3Å; L435-M451 HydrophobicContact CB-CG 4.24Å; Y439-M451 HydrophobicContact CD2-CG 3.93Å; Y439-M451 HydrophobicContact CE2-CG 3.91Å; E447-M451 VanDerWaalsContact O-CG 3.28Å; E447-M451 WeakPolarHBondContact O-CG 3.38Å; E447-M451 PolarHBondContact O-N 3.24Å; E447-M451 VanDerWaalsContact O-N 3.12Å; A448-M451 PolarHBondContact O-N 2.98Å; E449-M451 VanDerWaalsContact C-N 3.31Å; E449-M451 PolarHBondContact O-N 3.21Å; M451-A455 WeakPolarHBondContact O-CB 3.47Å; M451-A455 PolarHBondContact O-N 3.44Å |
| 452 | H | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -49.2 | 175.7 | -77.2 | -47.5 | 0 | 0 | 0 | 112.3 | G433 G436 R437 A448 E449 K454 A455 I456 L477 | G433-H452 PolarHBondContact O-CE1 3.37Å; G436-H452 VanDerWaalsContact C-NE2 3.26Å; R437-H452 PolarHBondContact N-CE1 3.35Å; R437-H452 PolarHBondContact N-NE2 3.06Å; A448-H452 PolarHBondContact O-CD2 3.09Å; A448-H452 PolarHBondContact O-N 2.8Å; E449-H452 PolarHBondContact O-N 2.82Å; H452-K454 VanDerWaalsContact C-N 3.3Å; H452-K454 PolarHBondContact O-N 2.9Å; H452-A455 PolarHBondContact O-N 3.31Å; H452-I456 VanDerWaalsContact O-CG1 3.28Å; H452-I456 WeakPolarHBondContact O-CG1 3.48Å; H452-I456 PolarHBondContact O-N 2.82Å; H452-L477 HydrophobicContact CB-CB 4.12Å; H452-L477 HydrophobicContact CB-CD1 3.92Å; H452-L477 HydrophobicContact CB-CG 4.45Å |
| 453 | I | 98.7 | Very high | 98 | Very high | 58 Ų | 58 | 62.5 Ų | 62.5 | 30% | 0.297 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 177.9 | -70.4 | 173.3 | 0 | 0 | 0 | 110.1 | E449 A455 I456 Q457 L477 | E449-I453 HydrophobicContact CG-CD1 3.71Å; E449-I453 HydrophobicContact CG-CG1 4.37Å; E449-I453 WeakPolarHBondContact O-CB 3.32Å; E449-I453 WeakPolarHBondContact O-CG1 3.38Å; E449-I453 PolarHBondContact O-N 2.94Å; I453-A455 PolarHBondContact O-N 2.95Å; I453-I456 PolarHBondContact O-N 3.22Å; I453-Q457 HydrophobicContact CG2-CG 4.28Å; I453-Q457 WeakPolarHBondContact O-CB 3.42Å; I453-Q457 VanDerWaalsContact O-CG 3.29Å; I453-Q457 WeakPolarHBondContact O-CG 3.41Å; I453-Q457 PolarHBondContact O-N 3.15Å; I453-L477 HydrophobicContact CG1-CD2 4.08Å |
| 454 | K | 98.4 | Very high | 97.9 | Very high | 63 Ų | 63 | 55.6 Ų | 55.6 | 27% | 0.274 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 177.8 | -173.3 | 175.2 | -175 | -178.3 | 0 | 112.4 | E423 Y432 E450 H452 I458 | E423-K454 WeakPolarHBondContact OE1-CE 3.15Å; E423-K454 IonicContact OE1-NZ 2.66Å; E423-K454 PolarHBondContact OE1-NZ 2.82Å; Y432-K454 HydrophobicContact CD1-CD 4.32Å; Y432-K454 HydrophobicContact CD2-CD 4.16Å; Y432-K454 HydrophobicContact CD2-CG 4.28Å; Y432-K454 HydrophobicContact CE1-CD 4.2Å; Y432-K454 HydrophobicContact CE2-CD 4.03Å; Y432-K454 HydrophobicContact CE2-CG 4.47Å; Y432-K454 HydrophobicContact CG-CD 4.33Å; Y432-K454 VanDerWaalsContact CZ-NZ 3.29Å; Y432-K454 PolarHBondContact OH-NZ 3.17Å; E450-K454 WeakPolarHBondContact O-CB 3.19Å; E450-K454 PolarHBondContact O-N 3.42Å; H452-K454 VanDerWaalsContact C-N 3.3Å; H452-K454 PolarHBondContact O-N 2.9Å; K454-I458 HydrophobicContact CG-CD1 4.18Å; K454-I458 WeakPolarHBondContact O-CG1 3.42Å; K454-I458 PolarHBondContact O-N 2.82Å |
| 455 | A | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | A429 M451 H452 I453 K459 | A429-A455 WeakPolarHBondContact O-CB 3.39Å; M451-A455 WeakPolarHBondContact O-CB 3.47Å; M451-A455 PolarHBondContact O-N 3.44Å; H452-A455 PolarHBondContact O-N 3.31Å; I453-A455 PolarHBondContact O-N 2.95Å; A455-K459 WeakPolarHBondContact O-CB 3.15Å; A455-K459 VanDerWaalsContact O-CG 3.26Å; A455-K459 WeakPolarHBondContact O-CG 3.1Å; A455-K459 PolarHBondContact O-N 3.28Å |
| 456 | I | 98.7 | Very high | 97.6 | Very high | 14 Ų | 14 | 59.7 Ų | 59.7 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 178.3 | -67.6 | 164.7 | 0 | 0 | 0 | 110.2 | H452 I453 I458 K459 E460 V474 L477 | H452-I456 VanDerWaalsContact O-CG1 3.28Å; H452-I456 WeakPolarHBondContact O-CG1 3.48Å; H452-I456 PolarHBondContact O-N 2.82Å; I453-I456 PolarHBondContact O-N 3.22Å; I456-I458 VanDerWaalsContact C-N 3.35Å; I456-I458 PolarHBondContact O-N 3.4Å; I456-K459 PolarHBondContact O-N 3.05Å; I456-K459 VanDerWaalsContact O-N 3.16Å; I456-E460 HydrophobicContact CG2-CG 4Å; I456-E460 WeakPolarHBondContact O-CB 3.46Å; I456-E460 WeakPolarHBondContact O-CG 3.27Å; I456-E460 PolarHBondContact O-N 3.13Å; I456-V474 HydrophobicContact CD1-CG2 3.99Å; I456-V474 HydrophobicContact CG1-CG2 4.24Å; I456-V474 HydrophobicContact CG2-CG2 4.31Å; I456-L477 HydrophobicContact CD1-CB 4.12Å; I456-L477 HydrophobicContact CD1-CD2 3.72Å |
| 457 | Q | 98.5 | Very high | 97.4 | Very high | 116 Ų | 116 | 54.1 Ų | 54.1 | 54% | 0.542 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56.1 | -46.7 | -179.3 | -74.8 | 173.2 | -9.7 | 0 | 0 | 112.4 | I453 Q461 | I453-Q457 HydrophobicContact CG2-CG 4.28Å; I453-Q457 WeakPolarHBondContact O-CB 3.42Å; I453-Q457 VanDerWaalsContact O-CG 3.29Å; I453-Q457 WeakPolarHBondContact O-CG 3.41Å; I453-Q457 PolarHBondContact O-N 3.15Å; Q457-Q461 WeakPolarHBondContact O-CB 3.36Å; Q457-Q461 PolarHBondContact O-N 3.02Å; Q457-Q461 VanDerWaalsContact O-N 3.11Å |
| 458 | I | 98.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 178.7 | -65.2 | 167 | 0 | 0 | 0 | 110.6 | F424 A429 Y432 K454 I456 Q461 L462 | F424-I458 HydrophobicContact CD2-CB 4.44Å; F424-I458 HydrophobicContact CD2-CG1 4.1Å; F424-I458 HydrophobicContact CD2-CG2 3.99Å; F424-I458 HydrophobicContact CE2-CB 4.22Å; F424-I458 HydrophobicContact CE2-CG1 4.17Å; F424-I458 HydrophobicContact CE2-CG2 3.97Å; A429-I458 HydrophobicContact CB-CB 3.98Å; A429-I458 HydrophobicContact CB-CG2 3.79Å; Y432-I458 HydrophobicContact CD2-CD1 4.15Å; Y432-I458 HydrophobicContact CE2-CD1 4.17Å; K454-I458 HydrophobicContact CG-CD1 4.18Å; K454-I458 WeakPolarHBondContact O-CG1 3.42Å; K454-I458 PolarHBondContact O-N 2.82Å; I456-I458 VanDerWaalsContact C-N 3.35Å; I456-I458 PolarHBondContact O-N 3.4Å; I458-Q461 PolarHBondContact O-N 3.48Å; I458-L462 HydrophobicContact CG2-CD1 3.72Å; I458-L462 HydrophobicContact CG2-CG 4.48Å; I458-L462 WeakPolarHBondContact O-CB 3.46Å; I458-L462 WeakPolarHBondContact O-CG 3.29Å; I458-L462 PolarHBondContact O-N 2.99Å |
| 459 | K | 98 | Very high | 96.9 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66 | -43 | -179.2 | -73.3 | 171.7 | 166.7 | -163.9 | 0 | 112.2 | A429 A455 I456 Q461 L462 L463 E469 V470 S473 | A429-K459 HydrophobicContact CB-CG 3.88Å; A455-K459 WeakPolarHBondContact O-CB 3.15Å; A455-K459 VanDerWaalsContact O-CG 3.26Å; A455-K459 WeakPolarHBondContact O-CG 3.1Å; A455-K459 PolarHBondContact O-N 3.28Å; I456-K459 PolarHBondContact O-N 3.05Å; I456-K459 VanDerWaalsContact O-N 3.16Å; K459-Q461 VanDerWaalsContact C-N 3.34Å; K459-Q461 PolarHBondContact O-N 2.92Å; K459-L462 PolarHBondContact O-N 3.4Å; K459-L463 WeakPolarHBondContact O-CB 3.5Å; K459-L463 PolarHBondContact O-N 3.36Å; K459-E469 HydrophobicContact CD-CB 4.09Å; K459-E469 WeakPolarHBondContact CD-O 3.15Å; K459-E469 PolarHBondContact NZ-O 3.31Å; K459-E469 IonicContact NZ-OE2 3.75Å; K459-E469 PolarHBondContact NZ-OE2 3.05Å; K459-V470 HydrophobicContact CB-CG2 3.73Å; K459-S473 PolarHBondContact NZ-OG 3.03Å |
| 460 | E | 97.8 | Very high | 96.8 | Very high | 47 Ų | 47 | 51.2 Ų | 51.2 | 22% | 0.22 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 177.1 | -73.9 | -175.2 | 158.2 | 0 | 0 | 111.8 | I456 G464 Q465 V470 R497 | I456-E460 HydrophobicContact CG2-CG 4Å; I456-E460 WeakPolarHBondContact O-CB 3.46Å; I456-E460 WeakPolarHBondContact O-CG 3.27Å; I456-E460 PolarHBondContact O-N 3.13Å; E460-G464 WeakPolarHBondContact O-CA 3.34Å; E460-G464 PolarHBondContact O-N 2.69Å; E460-Q465 HydrophobicContact CB-CG 4.48Å; E460-Q465 HydrophobicContact CG-CG 4.31Å; E460-V470 HydrophobicContact CG-CG1 3.79Å; E460-V470 HydrophobicContact CG-CG2 3.85Å; E460-R497 IonicContact OE1-CZ 3.77Å; E460-R497 IonicContact OE1-NH1 3.23Å; E460-R497 PolarHBondContact OE1-NH1 2.92Å; E460-R497 IonicContact OE1-NH2 3.53Å; E460-R497 PolarHBondContact OE1-NH2 3.25Å |
| 461 | Q | 97 | Very high | 96.7 | Very high | 148 Ų | 148 | 45.5 Ų | 45.5 | 69% | 0.692 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -71.4 | -29.8 | 179.4 | -178.3 | -169.5 | -18.4 | 0 | 0 | 112.4 | F424 Q457 I458 K459 | F424-Q461 HydrophobicContact CE1-CG 4.18Å; F424-Q461 HydrophobicContact CE2-CB 4.12Å; F424-Q461 HydrophobicContact CE2-CG 4.1Å; F424-Q461 HydrophobicContact CZ-CB 3.59Å; F424-Q461 HydrophobicContact CZ-CG 3.36Å; F424-Q461 VanDerWaalsContact CZ-OE1 3.25Å; Q457-Q461 WeakPolarHBondContact O-CB 3.36Å; Q457-Q461 PolarHBondContact O-N 3.02Å; Q457-Q461 VanDerWaalsContact O-N 3.11Å; I458-Q461 PolarHBondContact O-N 3.48Å; K459-Q461 VanDerWaalsContact C-N 3.34Å; K459-Q461 PolarHBondContact O-N 2.92Å |
| 462 | L | 95.8 | Very high | 96.5 | Very high | 66 Ų | 66 | 46.6 Ų | 46.6 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -87.3 | -39.3 | 179.1 | -75.1 | 173.6 | 0 | 0 | 0 | 114.6 | F424 V426 I458 K459 | F424-L462 HydrophobicContact CD1-CD1 4.33Å; F424-L462 HydrophobicContact CD1-CD2 3.7Å; F424-L462 HydrophobicContact CD1-CG 4.06Å; F424-L462 HydrophobicContact CE1-CD1 4.15Å; F424-L462 HydrophobicContact CE1-CD2 3.19Å; F424-L462 HydrophobicContact CE1-CG 3.43Å; F424-L462 VanDerWaalsContact CE1-CG 3.43Å; F424-L462 HydrophobicContact CZ-CD1 4.35Å; F424-L462 HydrophobicContact CZ-CD2 3.93Å; F424-L462 HydrophobicContact CZ-CG 3.62Å; V426-L462 HydrophobicContact CG2-CB 4.33Å; V426-L462 HydrophobicContact CG2-CD1 3.92Å; I458-L462 HydrophobicContact CG2-CD1 3.72Å; I458-L462 HydrophobicContact CG2-CG 4.48Å; I458-L462 WeakPolarHBondContact O-CB 3.46Å; I458-L462 WeakPolarHBondContact O-CG 3.29Å; I458-L462 PolarHBondContact O-N 2.99Å; K459-L462 PolarHBondContact O-N 3.4Å |
| 463 | L | 94.4 | Very high | 96.5 | Very high | 45 Ų | 45 | 46.7 Ų | 46.7 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -114.5 | -17.7 | -168.4 | -57 | 173.8 | 0 | 0 | 0 | 113 | Y222 V426 K459 D467 E469 | Y222-L463 HydrophobicContact CD2-CD2 3.82Å; Y222-L463 HydrophobicContact CE2-CD2 4.14Å; V426-L463 HydrophobicContact CG1-CD1 4.15Å; V426-L463 HydrophobicContact CG2-CD1 3.98Å; V426-L463 HydrophobicContact CG2-CD2 3.96Å; V426-L463 HydrophobicContact CG2-CG 4.03Å; K459-L463 WeakPolarHBondContact O-CB 3.5Å; K459-L463 PolarHBondContact O-N 3.36Å; L463-D467 HydrophobicContact CB-CB 3.61Å; L463-D467 HydrophobicContact CD1-CB 4.45Å; L463-E469 HydrophobicContact CD1-CB 3.84Å; L463-E469 HydrophobicContact CD1-CG 4.17Å |
| 464 | G | 95.3 | Very high | 96.5 | Very high | 30 Ų | 30 | 44 Ų | 44 | 31% | 0.309 | 22% | 0.218 | S | C | . | . | trans | 94.4 | 161.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E460 E466 D467 V470 | E460-G464 WeakPolarHBondContact O-CA 3.34Å; E460-G464 PolarHBondContact O-N 2.69Å; G464-E466 PolarHBondContact O-N 3.46Å; G464-D467 PolarHBondContact O-N 2.92Å; G464-V470 WeakPolarHBondContact O-CG2 3.32Å | ||
| 465 | Q | 96.1 | Very high | 96.4 | Very high | 125 Ų | 125 | 41 Ų | 41 | 58% | 0.584 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -18.5 | -172.8 | -69.3 | -179.2 | -2.1 | 0 | 0 | 115 | E460 R497 I501 | E460-Q465 HydrophobicContact CB-CG 4.48Å; E460-Q465 HydrophobicContact CG-CG 4.31Å; Q465-R497 PolarHBondContact O-NH2 3.25Å; Q465-I501 WeakPolarHBondContact O-CD1 3.44Å |
| 466 | E | 94.9 | Very high | 96.4 | Very high | 94 Ų | 94 | 42.8 Ų | 42.8 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 8.8 | -174.5 | -64.7 | -75.2 | 123.8 | 0 | 0 | 112 | G464 I501 K504 | G464-E466 PolarHBondContact O-N 3.46Å; E466-I501 VanDerWaalsContact O-CG2 3.27Å; E466-I501 WeakPolarHBondContact O-CG2 3.35Å; E466-K504 IonicContact OE2-NZ 3.49Å; E466-K504 PolarHBondContact OE2-NZ 3.04Å |
| 467 | D | 93.8 | Very high | 96.4 | Very high | 31 Ų | 31 | 42.5 Ų | 42.5 | 17% | 0.166 | 21% | 0.212 | C | C | . | . | trans | -74.9 | 146.4 | 178.5 | -167.6 | -85.3 | 0 | 0 | 0 | 111.5 | L463 G464 E469 V470 A471 | L463-D467 HydrophobicContact CB-CB 3.61Å; L463-D467 HydrophobicContact CD1-CB 4.45Å; G464-D467 PolarHBondContact O-N 2.92Å; D467-E469 VanDerWaalsContact C-N 3.29Å; D467-E469 PolarHBondContact O-N 3.14Å; D467-E469 WeakPolarHBondContact OD1-CB 3.44Å; D467-E469 PolarHBondContact OD1-N 3.29Å; D467-V470 HydrophobicContact CB-CG2 4.35Å; D467-V470 WeakPolarHBondContact O-CA 3.41Å; D467-V470 WeakPolarHBondContact O-CB 3.49Å; D467-V470 PolarHBondContact O-N 3.01Å; D467-A471 PolarHBondContact O-N 3.28Å; D467-A471 VanDerWaalsContact O-N 3.09Å | ||
| 468 | Y | 92.1 | Very high | 96.4 | Very high | 39 Ų | 39 | 37 Ų | 37 | 15% | 0.153 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -54.9 | -40.9 | 176.1 | 167.8 | -108.7 | 0 | 0 | 0 | 113.9 | R260 V470 A471 L472 F506 Y510 | R260-Y468 VanDerWaalsContact NH2-CD1 3.31Å; Y468-V470 PolarHBondContact O-N 2.84Å; Y468-A471 WeakPolarHBondContact O-CB 3.46Å; Y468-A471 PolarHBondContact O-N 2.96Å; Y468-A471 VanDerWaalsContact O-N 3.13Å; Y468-L472 HydrophobicContact CD1-CD1 4.23Å; Y468-L472 HydrophobicContact CD2-CG 4.35Å; Y468-L472 HydrophobicContact CE1-CD1 3.46Å; Y468-L472 VanDerWaalsContact CE1-CD1 3.46Å; Y468-L472 HydrophobicContact CE1-CG 4.02Å; Y468-L472 HydrophobicContact CE2-CD1 4.14Å; Y468-L472 HydrophobicContact CE2-CD2 3.96Å; Y468-L472 HydrophobicContact CE2-CG 3.82Å; Y468-L472 VanDerWaalsContact CZ-CD1 3.45Å; Y468-L472 PolarHBondContact O-N 3.4Å; Y468-F506 HydrophobicContact CD1-CZ 4.43Å; Y468-F506 HydrophobicContact CD2-CD2 4.34Å; Y468-F506 AromaticContact CD2-CE2 3.23Å; Y468-F506 HydrophobicContact CD2-CE2 3.23Å; Y468-F506 AromaticContact CD2-CZ 3.53Å; Y468-F506 HydrophobicContact CD2-CZ 3.53Å; Y468-F506 AromaticContact CE2-CE2 3.73Å; Y468-F506 HydrophobicContact CE2-CE2 3.73Å; Y468-F506 AromaticContact CE2-CZ 3.82Å; Y468-F506 HydrophobicContact CE2-CZ 3.82Å; Y468-F506 AromaticContact CG-CE2 3.83Å; Y468-F506 HydrophobicContact CG-CE2 3.83Å; Y468-F506 AromaticContact CG-CZ 3.8Å; Y468-F506 HydrophobicContact CG-CZ 3.8Å; Y468-Y510 HydrophobicContact CE2-CE1 4.18Å; Y468-Y510 AromaticContact CE2-CZ 3.74Å; Y468-Y510 WeakPolarHBondContact CE2-OH 3.49Å; Y468-Y510 PolarHBondContact OH-OH 3.4Å |
| 469 | E | 94.4 | Very high | 96.3 | Very high | 26 Ų | 26 | 36.7 Ų | 36.7 | 12% | 0.121 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.9 | -28.2 | 179.6 | -73.4 | -72.2 | 168 | 0 | 0 | 111.6 | K430 K459 L463 D467 S473 | K430-E469 WeakPolarHBondContact CE-OE1 3.22Å; K430-E469 VanDerWaalsContact CE-OE2 3.23Å; K430-E469 WeakPolarHBondContact CE-OE2 3.43Å; K430-E469 IonicContact NZ-OE1 2.67Å; K430-E469 PolarHBondContact NZ-OE1 3.21Å; K430-E469 IonicContact NZ-OE2 2.85Å; K459-E469 HydrophobicContact CD-CB 4.09Å; K459-E469 WeakPolarHBondContact CD-O 3.15Å; K459-E469 PolarHBondContact NZ-O 3.31Å; K459-E469 IonicContact NZ-OE2 3.75Å; K459-E469 PolarHBondContact NZ-OE2 3.05Å; L463-E469 HydrophobicContact CD1-CB 3.84Å; L463-E469 HydrophobicContact CD1-CG 4.17Å; D467-E469 VanDerWaalsContact C-N 3.29Å; D467-E469 PolarHBondContact O-N 3.14Å; D467-E469 WeakPolarHBondContact OD1-CB 3.44Å; D467-E469 PolarHBondContact OD1-N 3.29Å; E469-S473 PolarHBondContact O-N 3.25Å; E469-S473 PolarHBondContact O-OG 3.37Å |
| 470 | V | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.9 | -46.3 | 172 | 175.7 | 0 | 0 | 0 | 0 | 110 | K459 E460 G464 D467 Y468 L472 S473 V474 | K459-V470 HydrophobicContact CB-CG2 3.73Å; E460-V470 HydrophobicContact CG-CG1 3.79Å; E460-V470 HydrophobicContact CG-CG2 3.85Å; G464-V470 WeakPolarHBondContact O-CG2 3.32Å; D467-V470 HydrophobicContact CB-CG2 4.35Å; D467-V470 WeakPolarHBondContact O-CA 3.41Å; D467-V470 WeakPolarHBondContact O-CB 3.49Å; D467-V470 PolarHBondContact O-N 3.01Å; Y468-V470 PolarHBondContact O-N 2.84Å; V470-L472 PolarHBondContact O-N 3.14Å; V470-S473 PolarHBondContact O-N 3.23Å; V470-S473 VanDerWaalsContact O-N 3.11Å; V470-V474 HydrophobicContact CG1-CG2 3.94Å; V470-V474 WeakPolarHBondContact O-CB 3.43Å; V470-V474 VanDerWaalsContact O-CG2 3.31Å; V470-V474 WeakPolarHBondContact O-CG2 3.47Å; V470-V474 PolarHBondContact O-N 3.26Å |
| 471 | A | 96.2 | Very high | 96.4 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.8 | -50 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D467 Y468 S473 V474 G475 S498 I501 | D467-A471 PolarHBondContact O-N 3.28Å; D467-A471 VanDerWaalsContact O-N 3.09Å; Y468-A471 WeakPolarHBondContact O-CB 3.46Å; Y468-A471 PolarHBondContact O-N 2.96Å; Y468-A471 VanDerWaalsContact O-N 3.13Å; A471-S473 VanDerWaalsContact C-N 3.34Å; A471-S473 PolarHBondContact O-N 3.03Å; A471-V474 PolarHBondContact O-N 3.34Å; A471-G475 PolarHBondContact O-N 3.32Å; A471-S498 PolarHBondContact O-OG 3.48Å; A471-I501 HydrophobicContact CB-CB 3.83Å; A471-I501 HydrophobicContact CB-CD1 4.13Å; A471-I501 HydrophobicContact CB-CG2 3.72Å |
| 472 | L | 94.9 | Very high | 96.4 | Very high | 54 Ų | 54 | 28.2 Ų | 28.2 | 28% | 0.283 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -56.4 | -45.4 | 175.9 | -72.2 | -177.6 | 0 | 0 | 0 | 112.8 | Y468 V470 H476 | Y468-L472 HydrophobicContact CD1-CD1 4.23Å; Y468-L472 HydrophobicContact CD2-CG 4.35Å; Y468-L472 HydrophobicContact CE1-CD1 3.46Å; Y468-L472 VanDerWaalsContact CE1-CD1 3.46Å; Y468-L472 HydrophobicContact CE1-CG 4.02Å; Y468-L472 HydrophobicContact CE2-CD1 4.14Å; Y468-L472 HydrophobicContact CE2-CD2 3.96Å; Y468-L472 HydrophobicContact CE2-CG 3.82Å; Y468-L472 VanDerWaalsContact CZ-CD1 3.45Å; Y468-L472 PolarHBondContact O-N 3.4Å; V470-L472 PolarHBondContact O-N 3.14Å; L472-H476 PolarHBondContact O-N 3.35Å; L472-H476 PolarHBondContact O-ND1 2.9Å |
| 473 | S | 97.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.5 | -36.3 | -179.2 | -79.1 | 0 | 0 | 0 | 0 | 112.5 | K459 E469 V470 A471 L477 | K459-S473 PolarHBondContact NZ-OG 3.03Å; E469-S473 PolarHBondContact O-N 3.25Å; E469-S473 PolarHBondContact O-OG 3.37Å; V470-S473 PolarHBondContact O-N 3.23Å; V470-S473 VanDerWaalsContact O-N 3.11Å; A471-S473 VanDerWaalsContact C-N 3.34Å; A471-S473 PolarHBondContact O-N 3.03Å; S473-L477 PolarHBondContact O-N 3.44Å; S473-L477 VanDerWaalsContact O-N 3.16Å |
| 474 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.6 | -43 | 175.6 | 164.8 | 0 | 0 | 0 | 0 | 111.2 | I456 V470 A471 H476 L477 A478 L494 R497 | I456-V474 HydrophobicContact CD1-CG2 3.99Å; I456-V474 HydrophobicContact CG1-CG2 4.24Å; I456-V474 HydrophobicContact CG2-CG2 4.31Å; V470-V474 HydrophobicContact CG1-CG2 3.94Å; V470-V474 WeakPolarHBondContact O-CB 3.43Å; V470-V474 VanDerWaalsContact O-CG2 3.31Å; V470-V474 WeakPolarHBondContact O-CG2 3.47Å; V470-V474 PolarHBondContact O-N 3.26Å; A471-V474 PolarHBondContact O-N 3.34Å; V474-H476 PolarHBondContact O-N 3.37Å; V474-L477 PolarHBondContact O-N 3.28Å; V474-A478 PolarHBondContact O-N 3.04Å; V474-L494 HydrophobicContact CG1-CB 3.76Å; V474-L494 HydrophobicContact CG1-CD2 3.79Å; V474-L494 HydrophobicContact CG1-CG 4.32Å; V474-L494 WeakPolarHBondContact CG1-O 3.41Å; V474-R497 HydrophobicContact CG1-CB 4.36Å; V474-R497 HydrophobicContact CG1-CG 4.5Å |
| 475 | G | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.1 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A471 A478 S479 | A471-G475 PolarHBondContact O-N 3.32Å; G475-A478 WeakPolarHBondContact O-CB 3.43Å; G475-A478 PolarHBondContact O-N 2.79Å; G475-S479 PolarHBondContact O-N 3.4Å |
| 476 | H | 97.5 | Very high | 96.6 | Very high | 38 Ų | 38 | 30.5 Ų | 30.5 | 18% | 0.176 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.2 | -40.9 | 173.5 | -64 | 147.3 | 0 | 0 | 0 | 112.7 | R437 L472 V474 A478 S479 L480 | R437-H476 HydrophobicContact CG-CB 4.4Å; L472-H476 PolarHBondContact O-N 3.35Å; L472-H476 PolarHBondContact O-ND1 2.9Å; V474-H476 PolarHBondContact O-N 3.37Å; H476-A478 VanDerWaalsContact C-N 3.32Å; H476-A478 PolarHBondContact O-N 2.93Å; H476-S479 WeakPolarHBondContact O-CB 3.34Å; H476-S479 PolarHBondContact O-N 3.38Å; H476-L480 PolarHBondContact O-N 3.37Å; H476-L480 VanDerWaalsContact O-N 3.14Å |
| 477 | L | 98.6 | Very high | 96.8 | Very high | 8 Ų | 8 | 29.1 Ų | 29.1 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.2 | -38.7 | 174.4 | -177.8 | 58.3 | 0 | 0 | 0 | 111.7 | E449 H452 I453 I456 S473 V474 S479 L480 Y481 L494 | E449-L477 HydrophobicContact CG-CD1 4.29Å; H452-L477 HydrophobicContact CB-CB 4.12Å; H452-L477 HydrophobicContact CB-CD1 3.92Å; H452-L477 HydrophobicContact CB-CG 4.45Å; I453-L477 HydrophobicContact CG1-CD2 4.08Å; I456-L477 HydrophobicContact CD1-CB 4.12Å; I456-L477 HydrophobicContact CD1-CD2 3.72Å; S473-L477 PolarHBondContact O-N 3.44Å; S473-L477 VanDerWaalsContact O-N 3.16Å; V474-L477 PolarHBondContact O-N 3.28Å; L477-S479 VanDerWaalsContact C-N 3.26Å; L477-S479 PolarHBondContact O-N 3.26Å; L477-L480 HydrophobicContact CD1-CD2 4.2Å; L477-L480 WeakPolarHBondContact O-CB 3.28Å; L477-L480 PolarHBondContact O-N 2.86Å; L477-Y481 HydrophobicContact CD1-CD1 4.4Å; L477-Y481 HydrophobicContact CD1-CE1 3.9Å; L477-Y481 HydrophobicContact CD1-CE2 4.13Å; L477-Y481 HydrophobicContact CD2-CE2 4.24Å; L477-Y481 HydrophobicContact CG-CD2 4.36Å; L477-Y481 HydrophobicContact CG-CE2 3.92Å; L477-Y481 PolarHBondContact O-N 3.3Å; L477-Y481 VanDerWaalsContact O-N 3.08Å; L477-L494 HydrophobicContact CB-CD1 4.19Å; L477-L494 HydrophobicContact CD2-CD1 3.9Å; L477-L494 HydrophobicContact CG-CD1 3.78Å |
| 478 | A | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.1 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V474 G475 H476 Y481 N482 A491 L494 Y495 | V474-A478 PolarHBondContact O-N 3.04Å; G475-A478 WeakPolarHBondContact O-CB 3.43Å; G475-A478 PolarHBondContact O-N 2.79Å; H476-A478 VanDerWaalsContact C-N 3.32Å; H476-A478 PolarHBondContact O-N 2.93Å; A478-Y481 PolarHBondContact O-N 3.4Å; A478-N482 VanDerWaalsContact O-CB 3.23Å; A478-N482 WeakPolarHBondContact O-CB 3.41Å; A478-N482 PolarHBondContact O-N 2.98Å; A478-A491 WeakPolarHBondContact O-CB 3.09Å; A478-L494 HydrophobicContact CB-CB 3.59Å; A478-L494 HydrophobicContact CB-CD1 4.48Å; A478-Y495 HydrophobicContact CB-CD1 3.57Å; A478-Y495 HydrophobicContact CB-CD2 3.75Å; A478-Y495 HydrophobicContact CB-CE1 3.63Å; A478-Y495 HydrophobicContact CB-CE2 3.81Å; A478-Y495 HydrophobicContact CB-CG 3.64Å |
| 479 | S | 97.8 | Very high | 97.2 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.2 | -49.1 | 174.6 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | G475 H476 L477 Y481 N482 Y483 Y495 Y515 | G475-S479 PolarHBondContact O-N 3.4Å; H476-S479 WeakPolarHBondContact O-CB 3.34Å; H476-S479 PolarHBondContact O-N 3.38Å; L477-S479 VanDerWaalsContact C-N 3.26Å; L477-S479 PolarHBondContact O-N 3.26Å; S479-Y481 VanDerWaalsContact C-N 3.3Å; S479-Y481 PolarHBondContact O-N 3.14Å; S479-N482 PolarHBondContact O-N 2.94Å; S479-N482 VanDerWaalsContact O-N 3.16Å; S479-Y483 WeakPolarHBondContact O-CB 3.48Å; S479-Y483 WeakPolarHBondContact O-CD2 3.5Å; S479-Y483 PolarHBondContact O-N 2.81Å; S479-Y495 WeakPolarHBondContact CA-OH 3.43Å; S479-Y495 PolarHBondContact N-OH 2.86Å; S479-Y515 WeakPolarHBondContact CB-OH 3.49Å; S479-Y515 PolarHBondContact OG-OH 3.18Å |
| 480 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.3 | -45.9 | 175.6 | 177.8 | 66.9 | 0 | 0 | 0 | 112.1 | Q440 F445 A448 E449 H476 L477 D484 M485 | Q440-L480 HydrophobicContact CB-CD1 4.14Å; Q440-L480 HydrophobicContact CG-CD1 3.76Å; F445-L480 HydrophobicContact CB-CD1 4.07Å; F445-L480 HydrophobicContact CD1-CD1 3.72Å; F445-L480 HydrophobicContact CG-CD1 4.29Å; A448-L480 HydrophobicContact CB-CD1 4.09Å; A448-L480 HydrophobicContact CB-CD2 3.83Å; E449-L480 HydrophobicContact CB-CD2 3.75Å; H476-L480 PolarHBondContact O-N 3.37Å; H476-L480 VanDerWaalsContact O-N 3.14Å; L477-L480 HydrophobicContact CD1-CD2 4.2Å; L477-L480 WeakPolarHBondContact O-CB 3.28Å; L477-L480 PolarHBondContact O-N 2.86Å; L480-D484 HydrophobicContact CD1-CB 4.19Å; L480-D484 PolarHBondContact O-N 3.37Å; L480-D484 VanDerWaalsContact O-N 3.13Å; L480-M485 HydrophobicContact CD2-SD 4.23Å; L480-M485 HydrophobicContact CG-CG 4.32Å; L480-M485 HydrophobicContact CG-SD 4.05Å; L480-M485 PolarHBondContact O-N 3.35Å; L480-M485 VanDerWaalsContact O-N 3.14Å |
| 481 | Y | 98.6 | Very high | 97.5 | Very high | 21 Ų | 21 | 36.5 Ų | 36.5 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65 | -39.5 | 178.1 | -72.3 | -13.3 | 0 | 0 | 0 | 113.4 | E449 L477 A478 S479 M485 N486 Q487 D490 L494 | E449-Y481 HydrophobicContact CG-CE1 4.14Å; E449-Y481 WeakPolarHBondContact OE1-CE1 3.48Å; E449-Y481 VanDerWaalsContact OE1-CZ 3.27Å; E449-Y481 PolarHBondContact OE1-OH 3.34Å; L477-Y481 HydrophobicContact CD1-CD1 4.4Å; L477-Y481 HydrophobicContact CD1-CE1 3.9Å; L477-Y481 HydrophobicContact CD1-CE2 4.13Å; L477-Y481 HydrophobicContact CD2-CE2 4.24Å; L477-Y481 HydrophobicContact CG-CD2 4.36Å; L477-Y481 HydrophobicContact CG-CE2 3.92Å; L477-Y481 PolarHBondContact O-N 3.3Å; L477-Y481 VanDerWaalsContact O-N 3.08Å; A478-Y481 PolarHBondContact O-N 3.4Å; S479-Y481 VanDerWaalsContact C-N 3.3Å; S479-Y481 PolarHBondContact O-N 3.14Å; Y481-M485 HydrophobicContact CD1-CB 4.45Å; Y481-M485 HydrophobicContact CD1-CG 4.5Å; Y481-M485 HydrophobicContact CD1-SD 3.74Å; Y481-M485 HydrophobicContact CE1-SD 3.86Å; Y481-N486 PolarHBondContact O-N 3.06Å; Y481-Q487 HydrophobicContact CD1-CB 4.41Å; Y481-Q487 HydrophobicContact CG-CB 4.14Å; Y481-Q487 PolarHBondContact O-N 2.98Å; Y481-D490 HydrophobicContact CD2-CB 3.68Å; Y481-D490 HydrophobicContact CE2-CB 3.95Å; Y481-L494 HydrophobicContact CD2-CD1 3.71Å; Y481-L494 HydrophobicContact CE2-CD1 3.72Å |
| 482 | N | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.011 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -74.5 | -49.3 | -177.5 | -173 | 21.1 | 0 | 0 | 0 | 112.8 | A478 S479 Y488 A491 Y495 G519 L523 | A478-N482 VanDerWaalsContact O-CB 3.23Å; A478-N482 WeakPolarHBondContact O-CB 3.41Å; A478-N482 PolarHBondContact O-N 2.98Å; S479-N482 PolarHBondContact O-N 2.94Å; S479-N482 VanDerWaalsContact O-N 3.16Å; N482-Y488 WeakPolarHBondContact O-CE1 3.44Å; N482-A491 HydrophobicContact CB-CB 3.88Å; N482-Y495 HydrophobicContact CB-CE2 3.99Å; N482-G519 PolarHBondContact ND2-O 2.9Å; N482-L523 WeakPolarHBondContact OD1-CA 3.5Å; N482-L523 WeakPolarHBondContact OD1-CB 3.44Å |
| 483 | Y | 96.1 | Very high | 97.7 | Very high | 107 Ų | 107 | 43.6 Ų | 43.6 | 42% | 0.42 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -86.3 | -32.8 | -170.4 | -75.1 | -89.1 | 0 | 0 | 0 | 113 | S479 K522 | S479-Y483 WeakPolarHBondContact O-CB 3.48Å; S479-Y483 WeakPolarHBondContact O-CD2 3.5Å; S479-Y483 PolarHBondContact O-N 2.81Å; Y483-K522 HydrophobicContact CD1-CG 4.34Å; Y483-K522 HydrophobicContact CE1-CB 4.37Å; Y483-K522 HydrophobicContact CE1-CD 4.29Å; Y483-K522 HydrophobicContact CE1-CG 3.67Å |
| 484 | D | 96.8 | Very high | 97.8 | Very high | 53 Ų | 53 | 45 Ų | 45 | 28% | 0.283 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -32.1 | -166.4 | -59.1 | -68.6 | 0 | 0 | 0 | 114.1 | Q440 F445 L480 | Q440-D484 WeakPolarHBondContact CG-OD2 3.45Å; Q440-D484 PolarHBondContact NE2-OD2 3.12Å; F445-D484 HydrophobicContact CD1-CB 3.61Å; F445-D484 HydrophobicContact CD2-CB 4.3Å; F445-D484 HydrophobicContact CE1-CB 3.41Å; F445-D484 VanDerWaalsContact CE1-CB 3.41Å; F445-D484 VanDerWaalsContact CE1-OD1 3.32Å; F445-D484 WeakPolarHBondContact CE1-OD1 3.33Å; F445-D484 HydrophobicContact CE2-CB 4.14Å; F445-D484 HydrophobicContact CG-CB 4.05Å; F445-D484 HydrophobicContact CZ-CB 3.69Å; F445-D484 WeakPolarHBondContact CZ-OD1 3.42Å; L480-D484 HydrophobicContact CD1-CB 4.19Å; L480-D484 PolarHBondContact O-N 3.37Å; L480-D484 VanDerWaalsContact O-N 3.13Å |
| 485 | M | 97.1 | Very high | 97.8 | Very high | 49 Ų | 49 | 45 Ų | 45 | 24% | 0.241 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -103.9 | -7.1 | -175.9 | -53.6 | -172.9 | 94.1 | 0 | 0 | 114.7 | F445 L480 Y481 Q487 | F445-M485 HydrophobicContact CB-CE 4.49Å; F445-M485 HydrophobicContact CB-CG 4.38Å; L480-M485 HydrophobicContact CD2-SD 4.23Å; L480-M485 HydrophobicContact CG-CG 4.32Å; L480-M485 HydrophobicContact CG-SD 4.05Å; L480-M485 PolarHBondContact O-N 3.35Å; L480-M485 VanDerWaalsContact O-N 3.14Å; Y481-M485 HydrophobicContact CD1-CB 4.45Å; Y481-M485 HydrophobicContact CD1-CG 4.5Å; Y481-M485 HydrophobicContact CD1-SD 3.74Å; Y481-M485 HydrophobicContact CE1-SD 3.86Å; M485-Q487 HydrophobicContact CB-CG 4.13Å; M485-Q487 PolarHBondContact O-N 3.08Å |
| 486 | N | 95.8 | Very high | 97.9 | Very high | 104 Ų | 104 | 48.2 Ų | 48.2 | 56% | 0.556 | 22% | 0.224 | S | C | * | . | trans | 55.9 | 29.8 | -176.5 | -57.6 | -79 | 0 | 0 | 0 | 114.1 | Y481 Y488 | Y481-N486 PolarHBondContact O-N 3.06Å; N486-Y488 HydrophobicContact CB-CE2 3.98Å; N486-Y488 PolarHBondContact O-N 2.88Å; N486-Y488 PolarHBondContact OD1-OH 3.42Å | ||
| 487 | Q | 97.7 | Very high | 97.9 | Very high | 66 Ų | 66 | 49.6 Ų | 49.6 | 31% | 0.308 | 23% | 0.227 | S | C | . | . | trans | -94.4 | 67.1 | 177.6 | -65.3 | -174.1 | 57.6 | 0 | 0 | 109.8 | Y481 M485 E489 D490 A491 | Y481-Q487 HydrophobicContact CD1-CB 4.41Å; Y481-Q487 HydrophobicContact CG-CB 4.14Å; Y481-Q487 PolarHBondContact O-N 2.98Å; M485-Q487 HydrophobicContact CB-CG 4.13Å; M485-Q487 PolarHBondContact O-N 3.08Å; Q487-E489 PolarHBondContact O-N 3.28Å; Q487-D490 HydrophobicContact CB-CB 4.44Å; Q487-D490 PolarHBondContact O-N 2.94Å; Q487-A491 WeakPolarHBondContact O-CB 3.41Å; Q487-A491 PolarHBondContact O-N 2.93Å | ||
| 488 | Y | 97.8 | Very high | 97.9 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 18% | 0.18 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65 | -37.5 | -169.1 | -59.3 | -63.9 | 0 | 0 | 0 | 113.7 | N482 N486 D490 A491 E492 L523 L527 | N482-Y488 WeakPolarHBondContact O-CE1 3.44Å; N486-Y488 HydrophobicContact CB-CE2 3.98Å; N486-Y488 PolarHBondContact O-N 2.88Å; N486-Y488 PolarHBondContact OD1-OH 3.42Å; Y488-D490 PolarHBondContact O-N 2.64Å; Y488-A491 PolarHBondContact O-N 2.87Å; Y488-E492 WeakPolarHBondContact O-CB 3.43Å; Y488-E492 PolarHBondContact O-N 3.29Å; Y488-L523 HydrophobicContact CD1-CG 3.93Å; Y488-L523 HydrophobicContact CG-CG 4.45Å; Y488-L523 WeakPolarHBondContact O-CD1 3.27Å; Y488-L527 HydrophobicContact CD2-CD2 3.78Å; Y488-L527 HydrophobicContact CG-CD2 4.07Å; Y488-L527 HydrophobicContact CG-CG 4.41Å |
| 489 | E | 97.6 | Very high | 97.9 | Very high | 151 Ų | 151 | 50.2 Ų | 50.2 | 71% | 0.706 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66.9 | -36.7 | 179.6 | -65.3 | 179.8 | -175.8 | 0 | 0 | 112.8 | Q487 R493 | Q487-E489 PolarHBondContact O-N 3.28Å; E489-R493 WeakPolarHBondContact O-CG 3.42Å; E489-R493 PolarHBondContact O-N 3.18Å; E489-R493 PolarHBondContact O-NE 3.14Å |
| 490 | D | 98.1 | Very high | 97.9 | Very high | 54 Ų | 54 | 52.7 Ų | 52.7 | 29% | 0.289 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.7 | -44.2 | 174 | -69.7 | -64.5 | 0 | 0 | 0 | 110.8 | Y481 Q487 Y488 E492 R493 L494 | Y481-D490 HydrophobicContact CD2-CB 3.68Å; Y481-D490 HydrophobicContact CE2-CB 3.95Å; Q487-D490 HydrophobicContact CB-CB 4.44Å; Q487-D490 PolarHBondContact O-N 2.94Å; Y488-D490 PolarHBondContact O-N 2.64Å; D490-E492 PolarHBondContact O-N 3.32Å; D490-R493 PolarHBondContact O-N 3.1Å; D490-R493 IonicContact OD1-CZ 2.71Å; D490-R493 IonicContact OD1-NH1 3.22Å; D490-R493 IonicContact OD1-NH2 2.68Å; D490-R493 PolarHBondContact OD1-NH2 3.1Å; D490-L494 WeakPolarHBondContact O-CG 3.5Å; D490-L494 PolarHBondContact O-N 3.43Å |
| 491 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A478 N482 Q487 Y488 R493 L494 Y495 L523 | A478-A491 WeakPolarHBondContact O-CB 3.09Å; N482-A491 HydrophobicContact CB-CB 3.88Å; Q487-A491 WeakPolarHBondContact O-CB 3.41Å; Q487-A491 PolarHBondContact O-N 2.93Å; Y488-A491 PolarHBondContact O-N 2.87Å; A491-R493 PolarHBondContact O-N 3.09Å; A491-L494 PolarHBondContact O-N 3.4Å; A491-Y495 HydrophobicContact CB-CD2 4.47Å; A491-Y495 HydrophobicContact CB-CE2 4.42Å; A491-Y495 VanDerWaalsContact O-CD2 3.23Å; A491-Y495 WeakPolarHBondContact O-CD2 3.37Å; A491-Y495 PolarHBondContact O-N 2.91Å; A491-L523 HydrophobicContact CB-CD1 3.74Å |
| 492 | E | 98.4 | Very high | 97.6 | Very high | 54 Ų | 54 | 51.9 Ų | 51.9 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.8 | -47.5 | 178.9 | -176.6 | -179.9 | -165.5 | 0 | 0 | 111.1 | Y488 D490 L494 Y495 L496 L520 L523 Y524 | Y488-E492 WeakPolarHBondContact O-CB 3.43Å; Y488-E492 PolarHBondContact O-N 3.29Å; D490-E492 PolarHBondContact O-N 3.32Å; E492-L494 VanDerWaalsContact C-N 3.33Å; E492-L494 PolarHBondContact O-N 3.01Å; E492-Y495 PolarHBondContact O-N 3.28Å; E492-L496 HydrophobicContact CG-CD1 3.98Å; E492-L496 HydrophobicContact CG-CG 4.46Å; E492-L496 WeakPolarHBondContact O-CB 3.47Å; E492-L496 VanDerWaalsContact O-CG 3.25Å; E492-L496 WeakPolarHBondContact O-CG 3.38Å; E492-L496 PolarHBondContact O-N 3.05Å; E492-L520 HydrophobicContact CB-CD2 4.46Å; E492-L520 HydrophobicContact CG-CD2 4.12Å; E492-L523 HydrophobicContact CB-CD1 3.91Å; E492-L523 HydrophobicContact CB-CD2 4.37Å; E492-Y524 WeakPolarHBondContact OE1-CE1 3.47Å; E492-Y524 VanDerWaalsContact OE1-CZ 3.23Å; E492-Y524 PolarHBondContact OE1-OH 3.29Å |
| 493 | R | 98.6 | Very high | 97.4 | Very high | 152 Ų | 152 | 55.2 Ų | 55.2 | 57% | 0.574 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59.3 | -43.3 | 177.7 | -76.6 | -175 | -76.7 | 153.6 | -11.5 | 112.2 | E489 D490 A491 R497 | E489-R493 WeakPolarHBondContact O-CG 3.42Å; E489-R493 PolarHBondContact O-N 3.18Å; E489-R493 PolarHBondContact O-NE 3.14Å; D490-R493 PolarHBondContact O-N 3.1Å; D490-R493 IonicContact OD1-CZ 2.71Å; D490-R493 IonicContact OD1-NH1 3.22Å; D490-R493 IonicContact OD1-NH2 2.68Å; D490-R493 PolarHBondContact OD1-NH2 3.1Å; A491-R493 PolarHBondContact O-N 3.09Å; R493-R497 WeakPolarHBondContact O-CB 3.41Å; R493-R497 PolarHBondContact O-N 3.34Å |
| 494 | L | 98.6 | Very high | 97.3 | Very high | 32 Ų | 32 | 56.8 Ų | 56.8 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.8 | -43.9 | -180 | -66.8 | 176.3 | 0 | 0 | 0 | 111.9 | V474 L477 A478 Y481 D490 A491 E492 L496 R497 S498 | V474-L494 HydrophobicContact CG1-CB 3.76Å; V474-L494 HydrophobicContact CG1-CD2 3.79Å; V474-L494 HydrophobicContact CG1-CG 4.32Å; V474-L494 WeakPolarHBondContact CG1-O 3.41Å; L477-L494 HydrophobicContact CB-CD1 4.19Å; L477-L494 HydrophobicContact CD2-CD1 3.9Å; L477-L494 HydrophobicContact CG-CD1 3.78Å; A478-L494 HydrophobicContact CB-CB 3.59Å; A478-L494 HydrophobicContact CB-CD1 4.48Å; Y481-L494 HydrophobicContact CD2-CD1 3.71Å; Y481-L494 HydrophobicContact CE2-CD1 3.72Å; D490-L494 WeakPolarHBondContact O-CG 3.5Å; D490-L494 PolarHBondContact O-N 3.43Å; A491-L494 PolarHBondContact O-N 3.4Å; E492-L494 VanDerWaalsContact C-N 3.33Å; E492-L494 PolarHBondContact O-N 3.01Å; L494-L496 PolarHBondContact O-N 3.24Å; L494-R497 WeakPolarHBondContact O-CB 3.24Å; L494-R497 PolarHBondContact O-N 2.92Å; L494-S498 PolarHBondContact O-N 2.88Å |
| 495 | Y | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -47 | 174.8 | -79.8 | -52.4 | 0 | 0 | 0 | 112.1 | A478 S479 N482 A491 E492 R497 S498 I499 Y515 D516 G519 L520 L523 | A478-Y495 HydrophobicContact CB-CD1 3.57Å; A478-Y495 HydrophobicContact CB-CD2 3.75Å; A478-Y495 HydrophobicContact CB-CE1 3.63Å; A478-Y495 HydrophobicContact CB-CE2 3.81Å; A478-Y495 HydrophobicContact CB-CG 3.64Å; S479-Y495 WeakPolarHBondContact CA-OH 3.43Å; S479-Y495 PolarHBondContact N-OH 2.86Å; N482-Y495 HydrophobicContact CB-CE2 3.99Å; A491-Y495 HydrophobicContact CB-CD2 4.47Å; A491-Y495 HydrophobicContact CB-CE2 4.42Å; A491-Y495 VanDerWaalsContact O-CD2 3.23Å; A491-Y495 WeakPolarHBondContact O-CD2 3.37Å; A491-Y495 PolarHBondContact O-N 2.91Å; E492-Y495 PolarHBondContact O-N 3.28Å; Y495-R497 VanDerWaalsContact C-N 3.26Å; Y495-R497 PolarHBondContact O-N 2.93Å; Y495-S498 PolarHBondContact O-N 3.34Å; Y495-I499 WeakPolarHBondContact O-CB 3.47Å; Y495-I499 WeakPolarHBondContact O-CD1 3.48Å; Y495-I499 VanDerWaalsContact O-CG1 3.3Å; Y495-I499 WeakPolarHBondContact O-CG1 3.39Å; Y495-I499 PolarHBondContact O-N 2.83Å; Y495-Y515 HydrophobicContact CE1-CE1 4.42Å; Y495-D516 HydrophobicContact CD1-CB 3.84Å; Y495-D516 WeakPolarHBondContact CD1-OD1 3.35Å; Y495-D516 HydrophobicContact CE1-CB 4.47Å; Y495-G519 WeakPolarHBondContact OH-CA 3.39Å; Y495-L520 HydrophobicContact CD2-CD2 3.96Å; Y495-L520 HydrophobicContact CD2-CG 4.21Å; Y495-L520 HydrophobicContact CG-CD2 4.21Å; Y495-L520 HydrophobicContact CG-CG 4.18Å; Y495-L523 HydrophobicContact CD2-CD1 4.49Å |
| 496 | L | 98.4 | Very high | 96.6 | Very high | 69 Ų | 69 | 56.1 Ų | 56.1 | 36% | 0.361 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61 | -37.5 | 177.7 | -70.7 | 175 | 0 | 0 | 0 | 112 | E492 L494 A500 L520 Y536 | E492-L496 HydrophobicContact CG-CD1 3.98Å; E492-L496 HydrophobicContact CG-CG 4.46Å; E492-L496 WeakPolarHBondContact O-CB 3.47Å; E492-L496 VanDerWaalsContact O-CG 3.25Å; E492-L496 WeakPolarHBondContact O-CG 3.38Å; E492-L496 PolarHBondContact O-N 3.05Å; L494-L496 PolarHBondContact O-N 3.24Å; L496-A500 VanDerWaalsContact O-CB 3.31Å; L496-A500 WeakPolarHBondContact O-CB 3.46Å; L496-A500 PolarHBondContact O-N 3.35Å; L496-L520 HydrophobicContact CD2-CD1 4.03Å; L496-Y536 VanDerWaalsContact CD2-OH 3.32Å; L496-Y536 WeakPolarHBondContact CD2-OH 3.34Å |
| 497 | R | 98.1 | Very high | 96.3 | Very high | 67 Ų | 67 | 52.6 Ų | 52.6 | 25% | 0.253 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 173.6 | -178.5 | 179.6 | 175.3 | -158.5 | -4.7 | 111.8 | E460 Q465 V474 R493 L494 Y495 I499 A500 I501 | E460-R497 IonicContact OE1-CZ 3.77Å; E460-R497 IonicContact OE1-NH1 3.23Å; E460-R497 PolarHBondContact OE1-NH1 2.92Å; E460-R497 IonicContact OE1-NH2 3.53Å; E460-R497 PolarHBondContact OE1-NH2 3.25Å; Q465-R497 PolarHBondContact O-NH2 3.25Å; V474-R497 HydrophobicContact CG1-CB 4.36Å; V474-R497 HydrophobicContact CG1-CG 4.5Å; R493-R497 WeakPolarHBondContact O-CB 3.41Å; R493-R497 PolarHBondContact O-N 3.34Å; L494-R497 WeakPolarHBondContact O-CB 3.24Å; L494-R497 PolarHBondContact O-N 2.92Å; Y495-R497 VanDerWaalsContact C-N 3.26Å; Y495-R497 PolarHBondContact O-N 2.93Å; R497-I499 PolarHBondContact O-N 3.41Å; R497-A500 PolarHBondContact O-N 3.23Å; R497-I501 HydrophobicContact CG-CD1 4.11Å; R497-I501 WeakPolarHBondContact O-CG1 3.03Å; R497-I501 PolarHBondContact O-N 3.48Å; R497-I501 VanDerWaalsContact O-N 3.13Å |
| 498 | S | 98.2 | Very high | 96 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.1 | -48.1 | 176.7 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | A471 L494 Y495 A500 I501 G502 D516 | A471-S498 PolarHBondContact O-OG 3.48Å; L494-S498 PolarHBondContact O-N 2.88Å; Y495-S498 PolarHBondContact O-N 3.34Å; S498-A500 PolarHBondContact O-N 2.9Å; S498-I501 PolarHBondContact O-N 2.88Å; S498-G502 PolarHBondContact O-N 2.88Å; S498-D516 WeakPolarHBondContact CB-OD2 3.4Å; S498-D516 PolarHBondContact OG-OD2 3.15Å |
| 499 | I | 98.1 | Very high | 95.5 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 177.6 | -70.8 | 161.6 | 0 | 0 | 0 | 111.4 | Y495 R497 I501 G502 K503 L513 D516 Y517 L520 | Y495-I499 WeakPolarHBondContact O-CB 3.47Å; Y495-I499 WeakPolarHBondContact O-CD1 3.48Å; Y495-I499 VanDerWaalsContact O-CG1 3.3Å; Y495-I499 WeakPolarHBondContact O-CG1 3.39Å; Y495-I499 PolarHBondContact O-N 2.83Å; R497-I499 PolarHBondContact O-N 3.41Å; I499-I501 PolarHBondContact O-N 3.02Å; I499-G502 PolarHBondContact O-N 3.13Å; I499-K503 HydrophobicContact CG2-CD 3.66Å; I499-K503 HydrophobicContact CG2-CG 4.26Å; I499-K503 WeakPolarHBondContact O-CB 3.45Å; I499-K503 VanDerWaalsContact O-CG 3.32Å; I499-K503 WeakPolarHBondContact O-CG 3.43Å; I499-K503 PolarHBondContact O-N 3.41Å; I499-L513 HydrophobicContact CB-CD2 4.42Å; I499-L513 HydrophobicContact CG1-CD2 4.38Å; I499-L513 HydrophobicContact CG2-CD2 4.31Å; I499-D516 HydrophobicContact CD1-CB 3.73Å; I499-D516 HydrophobicContact CG1-CB 3.48Å; I499-D516 VanDerWaalsContact CG1-CB 3.48Å; I499-Y517 HydrophobicContact CD1-CD1 3.72Å; I499-Y517 HydrophobicContact CD1-CE1 3.71Å; I499-Y517 HydrophobicContact CG1-CD1 4.34Å; I499-Y517 HydrophobicContact CG1-CE1 4.04Å; I499-Y517 HydrophobicContact CG2-CE1 3.94Å; I499-L520 HydrophobicContact CD1-CD1 3.5Å; I499-L520 VanDerWaalsContact CD1-CD1 3.5Å |
| 500 | A | 97.9 | Very high | 95.1 | Very high | 59 Ų | 59 | 46 Ų | 46 | 49% | 0.488 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.9 | -45.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L496 R497 S498 K504 | L496-A500 VanDerWaalsContact O-CB 3.31Å; L496-A500 WeakPolarHBondContact O-CB 3.46Å; L496-A500 PolarHBondContact O-N 3.35Å; R497-A500 PolarHBondContact O-N 3.23Å; S498-A500 PolarHBondContact O-N 2.9Å; A500-K504 WeakPolarHBondContact O-CB 3.34Å; A500-K504 PolarHBondContact O-N 3.16Å; A500-K504 VanDerWaalsContact O-N 3.13Å |
| 501 | I | 96.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.4 | -47.8 | 176.5 | -62.7 | 166.4 | 0 | 0 | 0 | 110.4 | Q465 E466 A471 R497 S498 I499 K503 K504 L505 | Q465-I501 WeakPolarHBondContact O-CD1 3.44Å; E466-I501 VanDerWaalsContact O-CG2 3.27Å; E466-I501 WeakPolarHBondContact O-CG2 3.35Å; A471-I501 HydrophobicContact CB-CB 3.83Å; A471-I501 HydrophobicContact CB-CD1 4.13Å; A471-I501 HydrophobicContact CB-CG2 3.72Å; R497-I501 HydrophobicContact CG-CD1 4.11Å; R497-I501 WeakPolarHBondContact O-CG1 3.03Å; R497-I501 PolarHBondContact O-N 3.48Å; R497-I501 VanDerWaalsContact O-N 3.13Å; S498-I501 PolarHBondContact O-N 2.88Å; I499-I501 PolarHBondContact O-N 3.02Å; I501-K503 PolarHBondContact O-N 3.42Å; I501-K504 PolarHBondContact O-N 3.14Å; I501-L505 HydrophobicContact CG2-CD1 3.77Å; I501-L505 HydrophobicContact CG2-CG 4.32Å; I501-L505 WeakPolarHBondContact O-CG 3.24Å; I501-L505 PolarHBondContact O-N 2.97Å |
| 502 | G | 94.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.4 | -48.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S498 I499 K504 L505 F506 | S498-G502 PolarHBondContact O-N 2.88Å; I499-G502 PolarHBondContact O-N 3.13Å; G502-K504 PolarHBondContact O-N 3.4Å; G502-L505 PolarHBondContact O-N 3.37Å; G502-F506 PolarHBondContact O-N 3.29Å |
| 503 | K | 94.3 | Very high | 93.8 | Very high | 72 Ų | 72 | 43.3 Ų | 43.3 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.4 | -42 | 176.7 | -75.4 | 173.9 | 56.6 | 131.4 | 0 | 112.6 | I499 I501 L505 G507 E508 L513 | I499-K503 HydrophobicContact CG2-CD 3.66Å; I499-K503 HydrophobicContact CG2-CG 4.26Å; I499-K503 WeakPolarHBondContact O-CB 3.45Å; I499-K503 VanDerWaalsContact O-CG 3.32Å; I499-K503 WeakPolarHBondContact O-CG 3.43Å; I499-K503 PolarHBondContact O-N 3.41Å; I501-K503 PolarHBondContact O-N 3.42Å; K503-L505 VanDerWaalsContact C-N 3.34Å; K503-L505 PolarHBondContact O-N 2.8Å; K503-G507 WeakPolarHBondContact O-CA 3.33Å; K503-G507 PolarHBondContact O-N 3.22Å; K503-E508 VanDerWaalsContact CE-CD 3.43Å; K503-E508 WeakPolarHBondContact CE-OE1 3.3Å; K503-E508 WeakPolarHBondContact CE-OE2 3.35Å; K503-E508 IonicContact NZ-OE1 3.59Å; K503-E508 PolarHBondContact NZ-OE1 2.79Å; K503-E508 IonicContact NZ-OE2 3.88Å; K503-E508 PolarHBondContact NZ-OE2 2.9Å; K503-L513 HydrophobicContact CG-CD1 3.9Å; K503-L513 HydrophobicContact CG-CD2 4.2Å |
| 504 | K | 93.9 | Very high | 93.6 | Very high | 141 Ų | 141 | 38 Ų | 38 | 61% | 0.613 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -64.2 | -37.9 | 179.6 | 178.3 | 179.3 | 170.8 | -175.3 | 0 | 112.4 | E466 A500 I501 G502 | E466-K504 IonicContact OE2-NZ 3.49Å; E466-K504 PolarHBondContact OE2-NZ 3.04Å; A500-K504 WeakPolarHBondContact O-CB 3.34Å; A500-K504 PolarHBondContact O-N 3.16Å; A500-K504 VanDerWaalsContact O-N 3.13Å; I501-K504 PolarHBondContact O-N 3.14Å; G502-K504 PolarHBondContact O-N 3.4Å |
| 505 | L | 91 | Very high | 93.3 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 24% | 0.241 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -89.9 | -34.2 | -174.8 | -64.4 | -179.2 | 0 | 0 | 0 | 114.1 | R260 I501 G502 K503 | R260-L505 HydrophobicContact CG-CD2 4.32Å; I501-L505 HydrophobicContact CG2-CD1 3.77Å; I501-L505 HydrophobicContact CG2-CG 4.32Å; I501-L505 WeakPolarHBondContact O-CG 3.24Å; I501-L505 PolarHBondContact O-N 2.97Å; G502-L505 PolarHBondContact O-N 3.37Å; K503-L505 VanDerWaalsContact C-N 3.34Å; K503-L505 PolarHBondContact O-N 2.8Å |
| 506 | F | 87.9 | Confident | 93.2 | Very high | 42 Ų | 42 | 40.7 Ų | 40.7 | 18% | 0.184 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -123.5 | -11 | -171.1 | -57.8 | -88.4 | 0 | 0 | 0 | 113.9 | F262 N300 Y468 G502 Y510 | F262-F506 AromaticContact CE2-CD1 3.87Å; F262-F506 HydrophobicContact CE2-CD1 3.87Å; F262-F506 AromaticContact CE2-CE1 3.79Å; F262-F506 HydrophobicContact CE2-CE1 3.79Å; F262-F506 AromaticContact CZ-CD1 4Å; F262-F506 HydrophobicContact CZ-CD1 4Å; F262-F506 AromaticContact CZ-CE1 3.45Å; F262-F506 HydrophobicContact CZ-CE1 3.45Å; F262-F506 VanDerWaalsContact CZ-CE1 3.45Å; F262-F506 HydrophobicContact CZ-CZ 4.21Å; N300-F506 WeakPolarHBondContact O-CE1 3.44Å; Y468-F506 HydrophobicContact CD1-CZ 4.43Å; Y468-F506 HydrophobicContact CD2-CD2 4.34Å; Y468-F506 AromaticContact CD2-CE2 3.23Å; Y468-F506 HydrophobicContact CD2-CE2 3.23Å; Y468-F506 AromaticContact CD2-CZ 3.53Å; Y468-F506 HydrophobicContact CD2-CZ 3.53Å; Y468-F506 AromaticContact CE2-CE2 3.73Å; Y468-F506 HydrophobicContact CE2-CE2 3.73Å; Y468-F506 AromaticContact CE2-CZ 3.82Å; Y468-F506 HydrophobicContact CE2-CZ 3.82Å; Y468-F506 AromaticContact CG-CE2 3.83Å; Y468-F506 HydrophobicContact CG-CE2 3.83Å; Y468-F506 AromaticContact CG-CZ 3.8Å; Y468-F506 HydrophobicContact CG-CZ 3.8Å; G502-F506 PolarHBondContact O-N 3.29Å; F506-Y510 HydrophobicContact CB-CD1 4.4Å; F506-Y510 HydrophobicContact CB-CD2 3.91Å; F506-Y510 HydrophobicContact CB-CG 3.69Å; F506-Y510 HydrophobicContact CD1-CD2 4.19Å; F506-Y510 HydrophobicContact CD1-CE2 4.49Å; F506-Y510 HydrophobicContact CD2-CD1 4.27Å; F506-Y510 HydrophobicContact CD2-CD2 4.35Å; F506-Y510 HydrophobicContact CD2-CE1 4.49Å; F506-Y510 HydrophobicContact CD2-CG 4.23Å; F506-Y510 HydrophobicContact CG-CD1 4.48Å; F506-Y510 AromaticContact CG-CD2 3.9Å; F506-Y510 HydrophobicContact CG-CD2 3.9Å; F506-Y510 HydrophobicContact CG-CE2 4.4Å; F506-Y510 AromaticContact CG-CG 3.99Å; F506-Y510 HydrophobicContact CG-CG 3.99Å |
| 507 | G | 89.9 | Confident | 93.2 | Very high | 29 Ų | 29 | 37.7 Ų | 37.7 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | trans | 85.2 | -177.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K503 G509 | K503-G507 WeakPolarHBondContact O-CA 3.33Å; K503-G507 PolarHBondContact O-N 3.22Å; G507-G509 VanDerWaalsContact C-N 3.25Å; G507-G509 PolarHBondContact O-N 2.88Å | ||
| 508 | E | 90.4 | Very high | 93.1 | Very high | 94 Ų | 94 | 40.5 Ų | 40.5 | 44% | 0.439 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -15.4 | -173.2 | -58.6 | -71.5 | 174.5 | 0 | 0 | 114 | K503 W543 L546 | K503-E508 VanDerWaalsContact CE-CD 3.43Å; K503-E508 WeakPolarHBondContact CE-OE1 3.3Å; K503-E508 WeakPolarHBondContact CE-OE2 3.35Å; K503-E508 IonicContact NZ-OE1 3.59Å; K503-E508 PolarHBondContact NZ-OE1 2.79Å; K503-E508 IonicContact NZ-OE2 3.88Å; K503-E508 PolarHBondContact NZ-OE2 2.9Å; E508-W543 VanDerWaalsContact O-CD1 3.27Å; E508-L546 HydrophobicContact CB-CD1 3.95Å |
| 509 | G | 87.3 | Confident | 93 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 8% | 0.082 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 9.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G507 R547 | G507-G509 VanDerWaalsContact C-N 3.25Å; G507-G509 PolarHBondContact O-N 2.88Å; G509-R547 WeakPolarHBondContact O-CD 3.31Å; G509-R547 PolarHBondContact O-NH1 2.92Å |
| 510 | Y | 89.4 | Confident | 93 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 9% | 0.094 | 20% | 0.203 | C | C | . | . | trans | -71.1 | 135.2 | -176.8 | 173.2 | -123.2 | 0 | 0 | 0 | 112.6 | D302 Y468 F506 G512 L513 W543 | D302-Y510 HydrophobicContact CB-CD2 4.36Å; D302-Y510 VanDerWaalsContact OD2-CD2 3.32Å; D302-Y510 WeakPolarHBondContact OD2-CD2 3.49Å; Y468-Y510 HydrophobicContact CE2-CE1 4.18Å; Y468-Y510 AromaticContact CE2-CZ 3.74Å; Y468-Y510 WeakPolarHBondContact CE2-OH 3.49Å; Y468-Y510 PolarHBondContact OH-OH 3.4Å; F506-Y510 HydrophobicContact CB-CD1 4.4Å; F506-Y510 HydrophobicContact CB-CD2 3.91Å; F506-Y510 HydrophobicContact CB-CG 3.69Å; F506-Y510 HydrophobicContact CD1-CD2 4.19Å; F506-Y510 HydrophobicContact CD1-CE2 4.49Å; F506-Y510 HydrophobicContact CD2-CD1 4.27Å; F506-Y510 HydrophobicContact CD2-CD2 4.35Å; F506-Y510 HydrophobicContact CD2-CE1 4.49Å; F506-Y510 HydrophobicContact CD2-CG 4.23Å; F506-Y510 HydrophobicContact CG-CD1 4.48Å; F506-Y510 AromaticContact CG-CD2 3.9Å; F506-Y510 HydrophobicContact CG-CD2 3.9Å; F506-Y510 HydrophobicContact CG-CE2 4.4Å; F506-Y510 AromaticContact CG-CG 3.99Å; F506-Y510 HydrophobicContact CG-CG 3.99Å; Y510-G512 VanDerWaalsContact CE1-CA 3.41Å; Y510-G512 PolarHBondContact O-N 3.39Å; Y510-L513 HydrophobicContact CD1-CD2 4.37Å; Y510-L513 HydrophobicContact CD1-CG 3.99Å; Y510-L513 WeakPolarHBondContact O-CB 3.08Å; Y510-L513 PolarHBondContact O-N 3.23Å; Y510-W543 PolarHBondContact O-NE1 2.84Å | ||
| 511 | S | 87.3 | Confident | 93.1 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 22% | 0.217 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -40.4 | -174.1 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | D302 L513 E514 | D302-S511 WeakPolarHBondContact OD1-CB 3.19Å; D302-S511 PolarHBondContact OD1-OG 3.15Å; D302-S511 WeakPolarHBondContact OD2-CB 3.38Å; D302-S511 PolarHBondContact OD2-N 3.24Å; D302-S511 PolarHBondContact OD2-OG 3.45Å; D302-S511 VanDerWaalsContact OD2-OG 3.09Å; S511-L513 PolarHBondContact O-N 3.28Å; S511-L513 VanDerWaalsContact O-N 3.12Å; S511-E514 WeakPolarHBondContact O-CB 3.49Å; S511-E514 PolarHBondContact O-N 3.02Å; S511-E514 VanDerWaalsContact O-N 3.12Å |
| 512 | G | 87.9 | Confident | 93.1 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y510 E514 Y515 | Y510-G512 VanDerWaalsContact CE1-CA 3.41Å; Y510-G512 PolarHBondContact O-N 3.39Å; G512-E514 PolarHBondContact O-N 3.12Å; G512-Y515 PolarHBondContact O-N 2.94Å |
| 513 | L | 93.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.4 | -27 | 176.2 | -61.4 | 177.6 | 0 | 0 | 0 | 112.4 | I499 K503 Y510 S511 Y515 D516 Y517 | I499-L513 HydrophobicContact CB-CD2 4.42Å; I499-L513 HydrophobicContact CG1-CD2 4.38Å; I499-L513 HydrophobicContact CG2-CD2 4.31Å; K503-L513 HydrophobicContact CG-CD1 3.9Å; K503-L513 HydrophobicContact CG-CD2 4.2Å; Y510-L513 HydrophobicContact CD1-CD2 4.37Å; Y510-L513 HydrophobicContact CD1-CG 3.99Å; Y510-L513 WeakPolarHBondContact O-CB 3.08Å; Y510-L513 PolarHBondContact O-N 3.23Å; S511-L513 PolarHBondContact O-N 3.28Å; S511-L513 VanDerWaalsContact O-N 3.12Å; L513-Y515 VanDerWaalsContact C-N 3.3Å; L513-Y515 PolarHBondContact O-N 2.81Å; L513-D516 PolarHBondContact O-N 3.49Å; L513-Y517 HydrophobicContact CB-CD2 4.08Å; L513-Y517 HydrophobicContact CB-CE2 3.59Å; L513-Y517 HydrophobicContact CD1-CE2 4.37Å; L513-Y517 WeakPolarHBondContact O-CB 3.47Å; L513-Y517 WeakPolarHBondContact O-CD2 3.33Å; L513-Y517 PolarHBondContact O-N 2.85Å |
| 514 | E | 93.3 | Very high | 93.4 | Very high | 41 Ų | 41 | 38.7 Ų | 38.7 | 19% | 0.192 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.3 | -44.9 | 177.2 | 176.3 | 170.8 | -160.3 | 0 | 0 | 111.8 | S511 G512 D516 Y517 R518 L540 W543 | S511-E514 WeakPolarHBondContact O-CB 3.49Å; S511-E514 PolarHBondContact O-N 3.02Å; S511-E514 VanDerWaalsContact O-N 3.12Å; G512-E514 PolarHBondContact O-N 3.12Å; E514-D516 PolarHBondContact O-N 3.44Å; E514-Y517 PolarHBondContact O-N 2.85Å; E514-R518 HydrophobicContact CG-CG 4.37Å; E514-R518 WeakPolarHBondContact O-CB 3.46Å; E514-R518 VanDerWaalsContact O-CG 3.29Å; E514-R518 WeakPolarHBondContact O-CG 3.4Å; E514-R518 PolarHBondContact O-N 2.96Å; E514-R518 IonicContact OE1-CZ 3.88Å; E514-R518 VanDerWaalsContact OE1-CZ 3.23Å; E514-R518 IonicContact OE1-NE 2.76Å; E514-R518 PolarHBondContact OE1-NE 3.26Å; E514-R518 IonicContact OE1-NH2 3.84Å; E514-R518 PolarHBondContact OE1-NH2 2.7Å; E514-L540 HydrophobicContact CB-CD1 4.41Å; E514-L540 HydrophobicContact CG-CD1 4.04Å; E514-W543 HydrophobicContact CB-CE3 4.38Å; E514-W543 HydrophobicContact CB-CH2 3.53Å; E514-W543 HydrophobicContact CB-CZ2 3.75Å; E514-W543 HydrophobicContact CB-CZ3 3.83Å; E514-W543 HydrophobicContact CG-CH2 3.99Å; E514-W543 HydrophobicContact CG-CZ3 3.97Å; E514-W543 VanDerWaalsContact OE2-CH2 3.25Å; E514-W543 WeakPolarHBondContact OE2-CH2 3.33Å |
| 515 | Y | 92.8 | Very high | 93.6 | Very high | 80 Ų | 80 | 35.9 Ų | 35.9 | 31% | 0.314 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.6 | -48.6 | -178.8 | -176 | -92.6 | 0 | 0 | 0 | 111.1 | S479 Y495 G512 L513 R518 G519 | S479-Y515 WeakPolarHBondContact CB-OH 3.49Å; S479-Y515 PolarHBondContact OG-OH 3.18Å; Y495-Y515 HydrophobicContact CE1-CE1 4.42Å; G512-Y515 PolarHBondContact O-N 2.94Å; L513-Y515 VanDerWaalsContact C-N 3.3Å; L513-Y515 PolarHBondContact O-N 2.81Å; Y515-R518 PolarHBondContact O-N 3.2Å; Y515-G519 PolarHBondContact O-N 2.72Å |
| 516 | D | 96.5 | Very high | 93.8 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.3 | -40.4 | -178.6 | -64.3 | -29.5 | 0 | 0 | 0 | 112.1 | Y495 S498 I499 L513 E514 G519 L520 | Y495-D516 HydrophobicContact CD1-CB 3.84Å; Y495-D516 WeakPolarHBondContact CD1-OD1 3.35Å; Y495-D516 HydrophobicContact CE1-CB 4.47Å; S498-D516 WeakPolarHBondContact CB-OD2 3.4Å; S498-D516 PolarHBondContact OG-OD2 3.15Å; I499-D516 HydrophobicContact CD1-CB 3.73Å; I499-D516 HydrophobicContact CG1-CB 3.48Å; I499-D516 VanDerWaalsContact CG1-CB 3.48Å; L513-D516 PolarHBondContact O-N 3.49Å; E514-D516 PolarHBondContact O-N 3.44Å; D516-G519 WeakPolarHBondContact O-CA 3.17Å; D516-G519 PolarHBondContact O-N 2.51Å; D516-L520 PolarHBondContact O-N 3.34Å |
| 517 | Y | 97.5 | Very high | 94.2 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 175.9 | -66.7 | -32.8 | 0 | 0 | 0 | 112.2 | I499 L513 E514 G519 L520 I521 Y536 I539 L540 W543 | I499-Y517 HydrophobicContact CD1-CD1 3.72Å; I499-Y517 HydrophobicContact CD1-CE1 3.71Å; I499-Y517 HydrophobicContact CG1-CD1 4.34Å; I499-Y517 HydrophobicContact CG1-CE1 4.04Å; I499-Y517 HydrophobicContact CG2-CE1 3.94Å; L513-Y517 HydrophobicContact CB-CD2 4.08Å; L513-Y517 HydrophobicContact CB-CE2 3.59Å; L513-Y517 HydrophobicContact CD1-CE2 4.37Å; L513-Y517 WeakPolarHBondContact O-CB 3.47Å; L513-Y517 WeakPolarHBondContact O-CD2 3.33Å; L513-Y517 PolarHBondContact O-N 2.85Å; E514-Y517 PolarHBondContact O-N 2.85Å; Y517-G519 VanDerWaalsContact C-N 3.29Å; Y517-G519 PolarHBondContact O-N 3.41Å; Y517-L520 PolarHBondContact O-N 2.98Å; Y517-I521 VanDerWaalsContact O-CG1 3.29Å; Y517-I521 WeakPolarHBondContact O-CG1 3.35Å; Y517-I521 PolarHBondContact O-N 3.47Å; Y517-Y536 AromaticContact CD1-CD1 3.85Å; Y517-Y536 HydrophobicContact CD1-CD1 3.85Å; Y517-Y536 AromaticContact CD1-CE1 3.98Å; Y517-Y536 HydrophobicContact CD1-CE1 3.98Å; Y517-Y536 HydrophobicContact CE1-CD1 4.49Å; Y517-Y536 HydrophobicContact CE1-CE1 4.32Å; Y517-I539 HydrophobicContact CD1-CG2 4.08Å; Y517-I539 HydrophobicContact CD2-CG2 4.02Å; Y517-I539 HydrophobicContact CE1-CG2 3.73Å; Y517-I539 HydrophobicContact CE2-CG2 3.64Å; Y517-I539 HydrophobicContact CG-CG2 4.23Å; Y517-L540 HydrophobicContact CD2-CD1 4.37Å; Y517-W543 HydrophobicContact CE2-CB 4.36Å; Y517-W543 HydrophobicContact CE2-CG 4.41Å |
| 518 | R | 96.6 | Very high | 94.6 | Very high | 126 Ų | 126 | 39 Ų | 39 | 48% | 0.475 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.1 | -39 | 174.1 | -72.7 | 177.7 | 179.9 | -81.3 | 2.2 | 111.4 | E514 Y515 I521 K522 L540 | E514-R518 HydrophobicContact CG-CG 4.37Å; E514-R518 WeakPolarHBondContact O-CB 3.46Å; E514-R518 VanDerWaalsContact O-CG 3.29Å; E514-R518 WeakPolarHBondContact O-CG 3.4Å; E514-R518 PolarHBondContact O-N 2.96Å; E514-R518 IonicContact OE1-CZ 3.88Å; E514-R518 VanDerWaalsContact OE1-CZ 3.23Å; E514-R518 IonicContact OE1-NE 2.76Å; E514-R518 PolarHBondContact OE1-NE 3.26Å; E514-R518 IonicContact OE1-NH2 3.84Å; E514-R518 PolarHBondContact OE1-NH2 2.7Å; Y515-R518 PolarHBondContact O-N 3.2Å; R518-I521 PolarHBondContact O-N 3.07Å; R518-K522 PolarHBondContact O-N 3.21Å; R518-L540 HydrophobicContact CG-CD2 3.99Å |
| 519 | G | 97.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.9 | -52.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N482 Y495 Y515 D516 Y517 I521 K522 L523 | N482-G519 PolarHBondContact ND2-O 2.9Å; Y495-G519 WeakPolarHBondContact OH-CA 3.39Å; Y515-G519 PolarHBondContact O-N 2.72Å; D516-G519 WeakPolarHBondContact O-CA 3.17Å; D516-G519 PolarHBondContact O-N 2.51Å; Y517-G519 VanDerWaalsContact C-N 3.29Å; Y517-G519 PolarHBondContact O-N 3.41Å; G519-I521 PolarHBondContact O-N 3.11Å; G519-K522 WeakPolarHBondContact O-CB 3.39Å; G519-K522 PolarHBondContact O-N 2.68Å; G519-L523 WeakPolarHBondContact O-CB 3.32Å; G519-L523 PolarHBondContact O-N 2.74Å |
| 520 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 178.2 | -72.3 | 176.1 | 0 | 0 | 0 | 113 | E492 Y495 L496 I499 D516 Y517 K522 L523 Y524 Y536 | E492-L520 HydrophobicContact CB-CD2 4.46Å; E492-L520 HydrophobicContact CG-CD2 4.12Å; Y495-L520 HydrophobicContact CD2-CD2 3.96Å; Y495-L520 HydrophobicContact CD2-CG 4.21Å; Y495-L520 HydrophobicContact CG-CD2 4.21Å; Y495-L520 HydrophobicContact CG-CG 4.18Å; L496-L520 HydrophobicContact CD2-CD1 4.03Å; I499-L520 HydrophobicContact CD1-CD1 3.5Å; I499-L520 VanDerWaalsContact CD1-CD1 3.5Å; D516-L520 PolarHBondContact O-N 3.34Å; Y517-L520 PolarHBondContact O-N 2.98Å; L520-K522 VanDerWaalsContact C-N 3.32Å; L520-K522 PolarHBondContact O-N 3.08Å; L520-L523 HydrophobicContact CD2-CD1 4.45Å; L520-L523 WeakPolarHBondContact O-CB 3.44Å; L520-L523 PolarHBondContact O-N 2.95Å; L520-Y524 HydrophobicContact CB-CD2 4.36Å; L520-Y524 HydrophobicContact CB-CE2 4.09Å; L520-Y524 HydrophobicContact CD2-CE2 4.26Å; L520-Y524 WeakPolarHBondContact O-CD2 3.4Å; L520-Y524 PolarHBondContact O-N 2.87Å; L520-Y536 HydrophobicContact CB-CD1 4.23Å; L520-Y536 HydrophobicContact CB-CD2 4.42Å; L520-Y536 HydrophobicContact CB-CE1 4.3Å; L520-Y536 HydrophobicContact CB-CE2 4.49Å; L520-Y536 HydrophobicContact CB-CG 4.29Å; L520-Y536 HydrophobicContact CD1-CD1 4.12Å; L520-Y536 HydrophobicContact CD1-CE1 3.41Å; L520-Y536 VanDerWaalsContact CD1-CE1 3.41Å; L520-Y536 HydrophobicContact CD1-CE2 4.26Å; L520-Y536 VanDerWaalsContact CD1-CZ 3.49Å; L520-Y536 HydrophobicContact CG-CE1 4.5Å |
| 521 | I | 98.1 | Very high | 95.7 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.3 | -48.1 | 174.4 | -70.4 | 165.1 | 0 | 0 | 0 | 110.5 | Y517 R518 G519 L523 N525 V533 L540 | Y517-I521 VanDerWaalsContact O-CG1 3.29Å; Y517-I521 WeakPolarHBondContact O-CG1 3.35Å; Y517-I521 PolarHBondContact O-N 3.47Å; R518-I521 PolarHBondContact O-N 3.07Å; G519-I521 PolarHBondContact O-N 3.11Å; I521-L523 VanDerWaalsContact C-N 3.35Å; I521-L523 PolarHBondContact O-N 3.13Å; I521-N525 VanDerWaalsContact O-CB 3.3Å; I521-N525 WeakPolarHBondContact O-CB 3.38Å; I521-N525 PolarHBondContact O-N 3.38Å; I521-V533 HydrophobicContact CG2-CG1 4.4Å; I521-L540 HydrophobicContact CD1-CB 4.43Å; I521-L540 HydrophobicContact CD1-CD2 3.98Å |
| 522 | K | 97.3 | Very high | 96.2 | Very high | 89 Ų | 89 | 52.8 Ų | 52.8 | 39% | 0.387 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 177.9 | 175.4 | 63.2 | 174.8 | 174.4 | 0 | 111.4 | Y483 R518 G519 L520 N525 S526 | Y483-K522 HydrophobicContact CD1-CG 4.34Å; Y483-K522 HydrophobicContact CE1-CB 4.37Å; Y483-K522 HydrophobicContact CE1-CD 4.29Å; Y483-K522 HydrophobicContact CE1-CG 3.67Å; R518-K522 PolarHBondContact O-N 3.21Å; G519-K522 WeakPolarHBondContact O-CB 3.39Å; G519-K522 PolarHBondContact O-N 2.68Å; L520-K522 VanDerWaalsContact C-N 3.32Å; L520-K522 PolarHBondContact O-N 3.08Å; K522-N525 PolarHBondContact O-N 3.42Å; K522-S526 PolarHBondContact O-N 3.21Å; K522-S526 PolarHBondContact O-OG 3.44Å |
| 523 | L | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.9 | -54.1 | 180 | -176.2 | 155.4 | 0 | 0 | 0 | 111.4 | N482 Y488 A491 E492 Y495 G519 L520 I521 N525 S526 L527 | N482-L523 WeakPolarHBondContact OD1-CA 3.5Å; N482-L523 WeakPolarHBondContact OD1-CB 3.44Å; Y488-L523 HydrophobicContact CD1-CG 3.93Å; Y488-L523 HydrophobicContact CG-CG 4.45Å; Y488-L523 WeakPolarHBondContact O-CD1 3.27Å; A491-L523 HydrophobicContact CB-CD1 3.74Å; E492-L523 HydrophobicContact CB-CD1 3.91Å; E492-L523 HydrophobicContact CB-CD2 4.37Å; Y495-L523 HydrophobicContact CD2-CD1 4.49Å; G519-L523 WeakPolarHBondContact O-CB 3.32Å; G519-L523 PolarHBondContact O-N 2.74Å; L520-L523 HydrophobicContact CD2-CD1 4.45Å; L520-L523 WeakPolarHBondContact O-CB 3.44Å; L520-L523 PolarHBondContact O-N 2.95Å; I521-L523 VanDerWaalsContact C-N 3.35Å; I521-L523 PolarHBondContact O-N 3.13Å; L523-N525 VanDerWaalsContact C-N 3.28Å; L523-N525 PolarHBondContact O-N 3.38Å; L523-S526 WeakPolarHBondContact O-CB 3.34Å; L523-S526 PolarHBondContact O-N 3.04Å; L523-S526 VanDerWaalsContact O-N 3.14Å; L523-L527 HydrophobicContact CD2-CD1 3.68Å; L523-L527 HydrophobicContact CD2-CG 4.41Å; L523-L527 PolarHBondContact O-N 3.32Å |
| 524 | Y | 98.3 | Very high | 96.9 | Very high | 6 Ų | 6 | 59.4 Ų | 59.4 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -30.1 | -178.7 | -67.5 | -58.1 | 0 | 0 | 0 | 112.7 | E492 L520 L527 G528 N529 K532 Y536 | E492-Y524 WeakPolarHBondContact OE1-CE1 3.47Å; E492-Y524 VanDerWaalsContact OE1-CZ 3.23Å; E492-Y524 PolarHBondContact OE1-OH 3.29Å; L520-Y524 HydrophobicContact CB-CD2 4.36Å; L520-Y524 HydrophobicContact CB-CE2 4.09Å; L520-Y524 HydrophobicContact CD2-CE2 4.26Å; L520-Y524 WeakPolarHBondContact O-CD2 3.4Å; L520-Y524 PolarHBondContact O-N 2.87Å; Y524-L527 CarbonylContact O-C 3.57Å; Y524-L527 PolarHBondContact O-N 3.18Å; Y524-G528 PolarHBondContact O-N 3.19Å; Y524-N529 HydrophobicContact CD1-CB 4.22Å; Y524-N529 PolarHBondContact O-N 3.29Å; Y524-K532 HydrophobicContact CD1-CB 3.7Å; Y524-K532 HydrophobicContact CD1-CG 4.04Å; Y524-K532 HydrophobicContact CD2-CB 3.53Å; Y524-K532 HydrophobicContact CD2-CG 4.37Å; Y524-K532 HydrophobicContact CE1-CB 4Å; Y524-K532 HydrophobicContact CE1-CD 4.21Å; Y524-K532 HydrophobicContact CE1-CG 3.89Å; Y524-K532 HydrophobicContact CE2-CB 3.83Å; Y524-K532 HydrophobicContact CE2-CD 4.02Å; Y524-K532 HydrophobicContact CE2-CG 4.23Å; Y524-K532 HydrophobicContact CG-CB 3.44Å; Y524-K532 VanDerWaalsContact CG-CB 3.44Å; Y524-K532 HydrophobicContact CG-CG 4.27Å; Y524-Y536 AromaticContact CD2-CD2 3.95Å; Y524-Y536 HydrophobicContact CD2-CD2 3.95Å; Y524-Y536 HydrophobicContact CD2-CE2 4.2Å; Y524-Y536 AromaticContact CE2-CD2 3.58Å; Y524-Y536 HydrophobicContact CE2-CD2 3.58Å; Y524-Y536 AromaticContact CE2-CE2 3.37Å; Y524-Y536 HydrophobicContact CE2-CE2 3.37Å |
| 525 | N | 96.9 | Very high | 97.1 | Very high | 83 Ų | 83 | 61.1 Ų | 61.1 | 44% | 0.444 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 172.5 | -168.2 | 40.8 | 0 | 0 | 0 | 111.2 | I521 K522 L523 L527 G528 V533 | I521-N525 VanDerWaalsContact O-CB 3.3Å; I521-N525 WeakPolarHBondContact O-CB 3.38Å; I521-N525 PolarHBondContact O-N 3.38Å; K522-N525 PolarHBondContact O-N 3.42Å; L523-N525 VanDerWaalsContact C-N 3.28Å; L523-N525 PolarHBondContact O-N 3.38Å; N525-L527 VanDerWaalsContact C-N 3.26Å; N525-L527 PolarHBondContact O-N 2.81Å; N525-G528 PolarHBondContact O-N 3.36Å; N525-G528 VanDerWaalsContact O-N 3.1Å; N525-V533 HydrophobicContact CB-CG2 3.95Å |
| 526 | S | 96.6 | Very high | 97.4 | Very high | 53 Ų | 53 | 58.1 Ų | 58.1 | 37% | 0.371 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.4 | -32.6 | 174.1 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | K522 L523 G528 | K522-S526 PolarHBondContact O-N 3.21Å; K522-S526 PolarHBondContact O-OG 3.44Å; L523-S526 WeakPolarHBondContact O-CB 3.34Å; L523-S526 PolarHBondContact O-N 3.04Å; L523-S526 VanDerWaalsContact O-N 3.14Å; S526-G528 VanDerWaalsContact C-N 3.34Å |
| 527 | L | 96.5 | Very high | 97.4 | Very high | 94 Ų | 94 | 62.3 Ų | 62.3 | 49% | 0.492 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -6.3 | 175.6 | -64.2 | 179.8 | 0 | 0 | 0 | 113.9 | Y488 L523 Y524 N525 N529 | Y488-L527 HydrophobicContact CD2-CD2 3.78Å; Y488-L527 HydrophobicContact CG-CD2 4.07Å; Y488-L527 HydrophobicContact CG-CG 4.41Å; L523-L527 HydrophobicContact CD2-CD1 3.68Å; L523-L527 HydrophobicContact CD2-CG 4.41Å; L523-L527 PolarHBondContact O-N 3.32Å; Y524-L527 CarbonylContact O-C 3.57Å; Y524-L527 PolarHBondContact O-N 3.18Å; N525-L527 VanDerWaalsContact C-N 3.26Å; N525-L527 PolarHBondContact O-N 2.81Å; L527-N529 VanDerWaalsContact C-N 3.26Å; L527-N529 PolarHBondContact O-N 2.99Å |
| 528 | G | 96.6 | Very high | 97.4 | Very high | 36 Ų | 36 | 65.2 Ų | 65.2 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 17.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y524 N525 S526 Y530 | Y524-G528 PolarHBondContact O-N 3.19Å; N525-G528 PolarHBondContact O-N 3.36Å; N525-G528 VanDerWaalsContact O-N 3.1Å; S526-G528 VanDerWaalsContact C-N 3.34Å; G528-Y530 VanDerWaalsContact O-CD2 3.27Å; G528-Y530 WeakPolarHBondContact O-CD2 3.48Å; G528-Y530 PolarHBondContact O-N 3.06Å; G528-Y530 VanDerWaalsContact O-N 3.17Å |
| 529 | N | 97.6 | Very high | 97.4 | Very high | 63 Ų | 63 | 61.7 Ų | 61.7 | 34% | 0.337 | 31% | 0.305 | S | S | . | . | trans | -87 | 77.1 | 177.1 | -171 | -20 | 0 | 0 | 0 | 110.8 | Y524 L527 E531 K532 V533 | Y524-N529 HydrophobicContact CD1-CB 4.22Å; Y524-N529 PolarHBondContact O-N 3.29Å; L527-N529 VanDerWaalsContact C-N 3.26Å; L527-N529 PolarHBondContact O-N 2.99Å; N529-E531 PolarHBondContact O-N 2.93Å; N529-K532 HydrophobicContact CB-CB 4.43Å; N529-K532 WeakPolarHBondContact ND2-CG 3.32Å; N529-K532 PolarHBondContact O-N 3.21Å; N529-K532 PolarHBondContact OD1-N 3.36Å; N529-V533 WeakPolarHBondContact O-CG2 3.07Å; N529-V533 PolarHBondContact O-N 2.87Å; N529-V533 VanDerWaalsContact O-N 3.12Å | ||
| 530 | Y | 96.4 | Very high | 97.3 | Very high | 161 Ų | 161 | 62.1 Ų | 62.1 | 63% | 0.631 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66 | -23.7 | -176 | -60.1 | -71.3 | 0 | 0 | 0 | 114.3 | G528 V533 F534 | G528-Y530 VanDerWaalsContact O-CD2 3.27Å; G528-Y530 WeakPolarHBondContact O-CD2 3.48Å; G528-Y530 PolarHBondContact O-N 3.06Å; G528-Y530 VanDerWaalsContact O-N 3.17Å; Y530-V533 PolarHBondContact O-N 2.91Å; Y530-F534 PolarHBondContact O-N 3.27Å |
| 531 | E | 98.1 | Very high | 97.1 | Very high | 162 Ų | 162 | 65.7 Ų | 65.7 | 76% | 0.757 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.6 | -49.9 | 174.1 | -175.9 | 179.9 | -179.3 | 0 | 0 | 110.4 | N529 V533 F534 E535 | N529-E531 PolarHBondContact O-N 2.93Å; E531-V533 PolarHBondContact O-N 3.02Å; E531-F534 PolarHBondContact O-N 2.95Å; E531-E535 PolarHBondContact O-N 2.83Å |
| 532 | K | 97.5 | Very high | 96.9 | Very high | 60 Ų | 60 | 68.6 Ų | 68.6 | 26% | 0.261 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.8 | -36.9 | 176.1 | -78 | -77 | 172.7 | -162.1 | 0 | 112.8 | Y524 N529 F534 E535 Y536 | Y524-K532 HydrophobicContact CD1-CB 3.7Å; Y524-K532 HydrophobicContact CD1-CG 4.04Å; Y524-K532 HydrophobicContact CD2-CB 3.53Å; Y524-K532 HydrophobicContact CD2-CG 4.37Å; Y524-K532 HydrophobicContact CE1-CB 4Å; Y524-K532 HydrophobicContact CE1-CD 4.21Å; Y524-K532 HydrophobicContact CE1-CG 3.89Å; Y524-K532 HydrophobicContact CE2-CB 3.83Å; Y524-K532 HydrophobicContact CE2-CD 4.02Å; Y524-K532 HydrophobicContact CE2-CG 4.23Å; Y524-K532 HydrophobicContact CG-CB 3.44Å; Y524-K532 VanDerWaalsContact CG-CB 3.44Å; Y524-K532 HydrophobicContact CG-CG 4.27Å; N529-K532 HydrophobicContact CB-CB 4.43Å; N529-K532 WeakPolarHBondContact ND2-CG 3.32Å; N529-K532 PolarHBondContact O-N 3.21Å; N529-K532 PolarHBondContact OD1-N 3.36Å; K532-F534 VanDerWaalsContact C-N 3.33Å; K532-F534 PolarHBondContact O-N 3.07Å; K532-E535 WeakPolarHBondContact CD-OE2 3.44Å; K532-E535 WeakPolarHBondContact CE-OE2 3.23Å; K532-E535 IonicContact NZ-OE1 2.89Å; K532-E535 PolarHBondContact NZ-OE1 3.01Å; K532-E535 IonicContact NZ-OE2 3.54Å; K532-E535 PolarHBondContact NZ-OE2 3.39Å; K532-E535 WeakPolarHBondContact O-CB 3.35Å; K532-E535 PolarHBondContact O-N 3.34Å; K532-Y536 HydrophobicContact CD-CE2 4.15Å; K532-Y536 WeakPolarHBondContact O-CD2 3.42Å; K532-Y536 PolarHBondContact O-N 3.07Å |
| 533 | V | 98 | Very high | 96.8 | Very high | 18 Ų | 18 | 65 Ų | 65 | 11% | 0.109 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.3 | -47.4 | 172.9 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | I521 N525 N529 Y530 E531 Y536 H537 | I521-V533 HydrophobicContact CG2-CG1 4.4Å; N525-V533 HydrophobicContact CB-CG2 3.95Å; N529-V533 WeakPolarHBondContact O-CG2 3.07Å; N529-V533 PolarHBondContact O-N 2.87Å; N529-V533 VanDerWaalsContact O-N 3.12Å; Y530-V533 PolarHBondContact O-N 2.91Å; E531-V533 PolarHBondContact O-N 3.02Å; V533-Y536 PolarHBondContact O-N 3.37Å; V533-H537 WeakPolarHBondContact O-CB 3.3Å; V533-H537 PolarHBondContact O-CD2 2.89Å; V533-H537 VanDerWaalsContact O-CD2 3.27Å; V533-H537 PolarHBondContact O-N 3.28Å |
| 534 | F | 97.8 | Very high | 96.4 | Very high | 141 Ų | 141 | 67.8 Ų | 67.8 | 62% | 0.618 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64 | -42.3 | 177.4 | -177.4 | -102.7 | 0 | 0 | 0 | 112.2 | Y530 E531 K532 H537 N538 | Y530-F534 PolarHBondContact O-N 3.27Å; E531-F534 PolarHBondContact O-N 2.95Å; K532-F534 VanDerWaalsContact C-N 3.33Å; K532-F534 PolarHBondContact O-N 3.07Å; F534-H537 PolarHBondContact O-N 2.79Å; F534-N538 WeakPolarHBondContact CD1-ND2 3.33Å; F534-N538 WeakPolarHBondContact CE1-ND2 3.45Å; F534-N538 WeakPolarHBondContact CZ-ND2 3.32Å; F534-N538 PolarHBondContact O-N 3.47Å; F534-N538 VanDerWaalsContact O-N 3.07Å; F534-N538 PolarHBondContact O-ND2 3.22Å |
| 535 | E | 97.9 | Very high | 95.9 | Very high | 76 Ų | 76 | 73.6 Ų | 73.6 | 36% | 0.355 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -55.2 | -54.4 | 174.9 | -175 | -172.8 | 155.1 | 0 | 0 | 111.6 | E531 K532 H537 N538 I539 | E531-E535 PolarHBondContact O-N 2.83Å; K532-E535 WeakPolarHBondContact CD-OE2 3.44Å; K532-E535 WeakPolarHBondContact CE-OE2 3.23Å; K532-E535 IonicContact NZ-OE1 2.89Å; K532-E535 PolarHBondContact NZ-OE1 3.01Å; K532-E535 IonicContact NZ-OE2 3.54Å; K532-E535 PolarHBondContact NZ-OE2 3.39Å; K532-E535 WeakPolarHBondContact O-CB 3.35Å; K532-E535 PolarHBondContact O-N 3.34Å; E535-H537 PolarHBondContact O-N 3.39Å; E535-N538 WeakPolarHBondContact O-CB 3.39Å; E535-N538 PolarHBondContact O-N 3.08Å; E535-N538 VanDerWaalsContact O-N 3.15Å; E535-I539 HydrophobicContact CG-CD1 4.2Å; E535-I539 WeakPolarHBondContact O-CG1 3.41Å; E535-I539 PolarHBondContact O-N 3.5Å |
| 536 | Y | 97.4 | Very high | 95.4 | Very high | 17 Ų | 17 | 73 Ų | 73 | 7% | 0.067 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -72.3 | -27.9 | -177.2 | -80.4 | -81.6 | 0 | 0 | 0 | 113.6 | L496 Y517 L520 Y524 K532 V533 N538 I539 L540 | L496-Y536 VanDerWaalsContact CD2-OH 3.32Å; L496-Y536 WeakPolarHBondContact CD2-OH 3.34Å; Y517-Y536 AromaticContact CD1-CD1 3.85Å; Y517-Y536 HydrophobicContact CD1-CD1 3.85Å; Y517-Y536 AromaticContact CD1-CE1 3.98Å; Y517-Y536 HydrophobicContact CD1-CE1 3.98Å; Y517-Y536 HydrophobicContact CE1-CD1 4.49Å; Y517-Y536 HydrophobicContact CE1-CE1 4.32Å; L520-Y536 HydrophobicContact CB-CD1 4.23Å; L520-Y536 HydrophobicContact CB-CD2 4.42Å; L520-Y536 HydrophobicContact CB-CE1 4.3Å; L520-Y536 HydrophobicContact CB-CE2 4.49Å; L520-Y536 HydrophobicContact CB-CG 4.29Å; L520-Y536 HydrophobicContact CD1-CD1 4.12Å; L520-Y536 HydrophobicContact CD1-CE1 3.41Å; L520-Y536 VanDerWaalsContact CD1-CE1 3.41Å; L520-Y536 HydrophobicContact CD1-CE2 4.26Å; L520-Y536 VanDerWaalsContact CD1-CZ 3.49Å; L520-Y536 HydrophobicContact CG-CE1 4.5Å; Y524-Y536 AromaticContact CD2-CD2 3.95Å; Y524-Y536 HydrophobicContact CD2-CD2 3.95Å; Y524-Y536 HydrophobicContact CD2-CE2 4.2Å; Y524-Y536 AromaticContact CE2-CD2 3.58Å; Y524-Y536 HydrophobicContact CE2-CD2 3.58Å; Y524-Y536 AromaticContact CE2-CE2 3.37Å; Y524-Y536 HydrophobicContact CE2-CE2 3.37Å; K532-Y536 HydrophobicContact CD-CE2 4.15Å; K532-Y536 WeakPolarHBondContact O-CD2 3.42Å; K532-Y536 PolarHBondContact O-N 3.07Å; V533-Y536 PolarHBondContact O-N 3.37Å; Y536-N538 VanDerWaalsContact C-N 3.33Å; Y536-I539 HydrophobicContact CD1-CD1 3.86Å; Y536-I539 HydrophobicContact CE1-CD1 3.96Å; Y536-I539 HydrophobicContact CG-CD1 4.35Å; Y536-I539 PolarHBondContact O-N 2.93Å; Y536-L540 WeakPolarHBondContact O-CB 2.89Å; Y536-L540 PolarHBondContact O-N 3.28Å |
| 537 | H | 97.5 | Very high | 94.8 | Very high | 95 Ų | 95 | 72.5 Ų | 72.5 | 44% | 0.44 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 167.9 | -90.7 | -61.4 | 0 | 0 | 0 | 112.1 | V533 F534 E535 L540 S541 | V533-H537 WeakPolarHBondContact O-CB 3.3Å; V533-H537 PolarHBondContact O-CD2 2.89Å; V533-H537 VanDerWaalsContact O-CD2 3.27Å; V533-H537 PolarHBondContact O-N 3.28Å; F534-H537 PolarHBondContact O-N 2.79Å; E535-H537 PolarHBondContact O-N 3.39Å; H537-L540 PolarHBondContact O-N 3.4Å; H537-S541 WeakPolarHBondContact O-CB 3.26Å; H537-S541 PolarHBondContact O-N 2.98Å |
| 538 | N | 97 | Very high | 93.9 | Very high | 68 Ų | 68 | 74.1 Ų | 74.1 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 175.2 | -70 | -34 | 0 | 0 | 0 | 111.8 | F534 E535 Y536 S541 N542 | F534-N538 WeakPolarHBondContact CD1-ND2 3.33Å; F534-N538 WeakPolarHBondContact CE1-ND2 3.45Å; F534-N538 WeakPolarHBondContact CZ-ND2 3.32Å; F534-N538 PolarHBondContact O-N 3.47Å; F534-N538 VanDerWaalsContact O-N 3.07Å; F534-N538 PolarHBondContact O-ND2 3.22Å; E535-N538 WeakPolarHBondContact O-CB 3.39Å; E535-N538 PolarHBondContact O-N 3.08Å; E535-N538 VanDerWaalsContact O-N 3.15Å; Y536-N538 VanDerWaalsContact C-N 3.33Å; N538-S541 PolarHBondContact O-N 2.87Å; N538-N542 WeakPolarHBondContact O-CB 3.18Å; N538-N542 PolarHBondContact O-N 2.92Å; N538-N542 PolarHBondContact O-ND2 3.38Å; N538-N542 VanDerWaalsContact O-ND2 3.15Å |
| 539 | I | 96.5 | Very high | 93 | Very high | 52 Ų | 52 | 80.3 Ų | 80.3 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.6 | -50.1 | 173.5 | -67.8 | 169.6 | 0 | 0 | 0 | 110 | Y517 E535 Y536 S541 N542 W543 | Y517-I539 HydrophobicContact CD1-CG2 4.08Å; Y517-I539 HydrophobicContact CD2-CG2 4.02Å; Y517-I539 HydrophobicContact CE1-CG2 3.73Å; Y517-I539 HydrophobicContact CE2-CG2 3.64Å; Y517-I539 HydrophobicContact CG-CG2 4.23Å; E535-I539 HydrophobicContact CG-CD1 4.2Å; E535-I539 WeakPolarHBondContact O-CG1 3.41Å; E535-I539 PolarHBondContact O-N 3.5Å; Y536-I539 HydrophobicContact CD1-CD1 3.86Å; Y536-I539 HydrophobicContact CE1-CD1 3.96Å; Y536-I539 HydrophobicContact CG-CD1 4.35Å; Y536-I539 PolarHBondContact O-N 2.93Å; I539-S541 VanDerWaalsContact C-N 3.34Å; I539-S541 PolarHBondContact O-N 3.32Å; I539-N542 PolarHBondContact O-N 2.93Å; I539-W543 WeakPolarHBondContact O-CB 3.36Å; I539-W543 PolarHBondContact O-N 2.94Å |
| 540 | L | 95.3 | Very high | 91.6 | Very high | 10 Ų | 10 | 83.2 Ų | 83.2 | 5% | 0.052 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 179.8 | -176.4 | 63.9 | 0 | 0 | 0 | 112.3 | E514 Y517 R518 I521 Y536 H537 W543 N544 | E514-L540 HydrophobicContact CB-CD1 4.41Å; E514-L540 HydrophobicContact CG-CD1 4.04Å; Y517-L540 HydrophobicContact CD2-CD1 4.37Å; R518-L540 HydrophobicContact CG-CD2 3.99Å; I521-L540 HydrophobicContact CD1-CB 4.43Å; I521-L540 HydrophobicContact CD1-CD2 3.98Å; Y536-L540 WeakPolarHBondContact O-CB 2.89Å; Y536-L540 PolarHBondContact O-N 3.28Å; H537-L540 PolarHBondContact O-N 3.4Å; L540-W543 HydrophobicContact CD1-CD2 4.38Å; L540-W543 HydrophobicContact CD1-CE3 3.62Å; L540-W543 HydrophobicContact CD1-CZ3 4.06Å; L540-W543 PolarHBondContact O-N 3.31Å; L540-N544 PolarHBondContact O-N 2.92Å; L540-N544 PolarHBondContact O-ND2 3.41Å |
| 541 | S | 94.4 | Very high | 90.1 | Very high | 76 Ų | 76 | 78.7 Ų | 78.7 | 53% | 0.531 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 175 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | H537 N538 I539 N544 R545 | H537-S541 WeakPolarHBondContact O-CB 3.26Å; H537-S541 PolarHBondContact O-N 2.98Å; N538-S541 PolarHBondContact O-N 2.87Å; I539-S541 VanDerWaalsContact C-N 3.34Å; I539-S541 PolarHBondContact O-N 3.32Å; S541-N544 PolarHBondContact O-N 3.45Å; S541-R545 PolarHBondContact O-N 3.4Å; S541-R545 VanDerWaalsContact O-N 3.16Å |
| 542 | N | 93.7 | Very high | 88 | Confident | 81 Ų | 81 | 74.5 Ų | 74.5 | 43% | 0.433 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 174.9 | -78.1 | -40.8 | 0 | 0 | 0 | 112 | N538 I539 R545 L546 | N538-N542 WeakPolarHBondContact O-CB 3.18Å; N538-N542 PolarHBondContact O-N 2.92Å; N538-N542 PolarHBondContact O-ND2 3.38Å; N538-N542 VanDerWaalsContact O-ND2 3.15Å; I539-N542 PolarHBondContact O-N 2.93Å; N542-R545 PolarHBondContact O-N 2.94Å; N542-L546 WeakPolarHBondContact O-CG 3.49Å; N542-L546 PolarHBondContact O-N 3.28Å |
| 543 | W | 94 | Very high | 86 | Confident | 13 Ų | 13 | 78.5 Ų | 78.5 | 5% | 0.049 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -56.9 | -48.5 | 174.3 | 167.6 | 90 | 0 | 0 | 0 | 111.5 | E508 Y510 E514 Y517 I539 L540 R545 L546 R547 | E508-W543 VanDerWaalsContact O-CD1 3.27Å; Y510-W543 PolarHBondContact O-NE1 2.84Å; E514-W543 HydrophobicContact CB-CE3 4.38Å; E514-W543 HydrophobicContact CB-CH2 3.53Å; E514-W543 HydrophobicContact CB-CZ2 3.75Å; E514-W543 HydrophobicContact CB-CZ3 3.83Å; E514-W543 HydrophobicContact CG-CH2 3.99Å; E514-W543 HydrophobicContact CG-CZ3 3.97Å; E514-W543 VanDerWaalsContact OE2-CH2 3.25Å; E514-W543 WeakPolarHBondContact OE2-CH2 3.33Å; Y517-W543 HydrophobicContact CE2-CB 4.36Å; Y517-W543 HydrophobicContact CE2-CG 4.41Å; I539-W543 WeakPolarHBondContact O-CB 3.36Å; I539-W543 PolarHBondContact O-N 2.94Å; L540-W543 HydrophobicContact CD1-CD2 4.38Å; L540-W543 HydrophobicContact CD1-CE3 3.62Å; L540-W543 HydrophobicContact CD1-CZ3 4.06Å; L540-W543 PolarHBondContact O-N 3.31Å; W543-R545 VanDerWaalsContact C-N 3.3Å; W543-R545 PolarHBondContact O-N 3.12Å; W543-L546 WeakPolarHBondContact O-CB 3.48Å; W543-L546 PolarHBondContact O-N 3.09Å; W543-L546 VanDerWaalsContact O-N 3.07Å; W543-R547 HydrophobicContact CD2-CG 4.21Å; W543-R547 HydrophobicContact CH2-CG 4.21Å; W543-R547 HydrophobicContact CZ2-CG 3.66Å; W543-R547 WeakPolarHBondContact O-CG 3.46Å; W543-R547 PolarHBondContact O-N 3.08Å |
| 544 | N | 89.6 | Confident | 84.3 | Confident | 59 Ų | 59 | 80.9 Ų | 80.9 | 32% | 0.316 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -55.5 | -45.5 | 176.1 | -83.3 | -64.3 | 0 | 0 | 0 | 111.7 | L540 S541 L546 R547 D548 | L540-N544 PolarHBondContact O-N 2.92Å; L540-N544 PolarHBondContact O-ND2 3.41Å; S541-N544 PolarHBondContact O-N 3.45Å; N544-L546 VanDerWaalsContact C-N 3.31Å; N544-L546 PolarHBondContact O-N 3.47Å; N544-R547 WeakPolarHBondContact O-CB 3.39Å; N544-R547 PolarHBondContact O-N 3.07Å; N544-D548 PolarHBondContact O-N 2.86Å |
| 545 | R | 88.5 | Confident | 83.2 | Confident | 127 Ų | 127 | 77.5 Ų | 77.5 | 48% | 0.479 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65 | -33 | 178.8 | -171.4 | -179.2 | 65.5 | 149.7 | -1.4 | 113.1 | S541 N542 W543 R549 | S541-R545 PolarHBondContact O-N 3.4Å; S541-R545 VanDerWaalsContact O-N 3.16Å; N542-R545 PolarHBondContact O-N 2.94Å; W543-R545 VanDerWaalsContact C-N 3.3Å; W543-R545 PolarHBondContact O-N 3.12Å; R545-R549 WeakPolarHBondContact O-CD 3.26Å; R545-R549 WeakPolarHBondContact O-CG 3.27Å; R545-R549 PolarHBondContact O-N 3.2Å |
| 546 | L | 87.6 | Confident | 82.2 | Confident | 71 Ų | 71 | 74.1 Ų | 74.1 | 37% | 0.372 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.7 | -45 | 175.1 | -71.4 | 171.9 | 0 | 0 | 0 | 110.8 | E508 N542 W543 N544 R549 Q550 | E508-L546 HydrophobicContact CB-CD1 3.95Å; N542-L546 WeakPolarHBondContact O-CG 3.49Å; N542-L546 PolarHBondContact O-N 3.28Å; W543-L546 WeakPolarHBondContact O-CB 3.48Å; W543-L546 PolarHBondContact O-N 3.09Å; W543-L546 VanDerWaalsContact O-N 3.07Å; N544-L546 VanDerWaalsContact C-N 3.31Å; N544-L546 PolarHBondContact O-N 3.47Å; L546-R549 PolarHBondContact O-N 3.39Å; L546-Q550 WeakPolarHBondContact O-CB 3.45Å; L546-Q550 PolarHBondContact O-N 3.14Å |
| 547 | R | 83.4 | Confident | 81.2 | Confident | 43 Ų | 43 | 75.1 Ų | 75.1 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.1 | -51.1 | 176.4 | -70.2 | -75.7 | -62.2 | -168.5 | -5.1 | 112.5 | D302 G509 W543 N544 R549 Q550 F551 | D302-R547 IonicContact OD1-CZ 2.65Å; D302-R547 IonicContact OD1-NH1 3.49Å; D302-R547 PolarHBondContact OD1-NH1 3.41Å; D302-R547 IonicContact OD1-NH2 3.37Å; D302-R547 IonicContact OD2-CZ 2.75Å; D302-R547 IonicContact OD2-NH1 2.6Å; D302-R547 PolarHBondContact OD2-NH1 3.49Å; G509-R547 WeakPolarHBondContact O-CD 3.31Å; G509-R547 PolarHBondContact O-NH1 2.92Å; W543-R547 HydrophobicContact CD2-CG 4.21Å; W543-R547 HydrophobicContact CH2-CG 4.21Å; W543-R547 HydrophobicContact CZ2-CG 3.66Å; W543-R547 WeakPolarHBondContact O-CG 3.46Å; W543-R547 PolarHBondContact O-N 3.08Å; N544-R547 WeakPolarHBondContact O-CB 3.39Å; N544-R547 PolarHBondContact O-N 3.07Å; R547-R549 PolarHBondContact O-N 3.27Å; R547-R549 VanDerWaalsContact O-N 3.15Å; R547-Q550 PolarHBondContact O-N 2.86Å; R547-Q550 VanDerWaalsContact O-N 3.08Å; R547-F551 WeakPolarHBondContact O-CD2 3.5Å; R547-F551 PolarHBondContact O-N 3.03Å |
| 548 | D | 78.2 | Confident | 80 | Confident | 127 Ų | 127 | 76.8 Ų | 76.8 | 68% | 0.679 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58.6 | -30.9 | -178.3 | -71.1 | -16.5 | 0 | 0 | 0 | 112.3 | N544 | N544-D548 PolarHBondContact O-N 2.86Å |
| 549 | R | 76.8 | Confident | 78.6 | Confident | 167 Ų | 167 | 77.2 Ų | 77.2 | 63% | 0.63 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -80.1 | -36.4 | 177.2 | -69.9 | 173.4 | 179.4 | -170.8 | -2.5 | 113.1 | R545 L546 R547 | R545-R549 WeakPolarHBondContact O-CD 3.26Å; R545-R549 WeakPolarHBondContact O-CG 3.27Å; R545-R549 PolarHBondContact O-N 3.2Å; L546-R549 PolarHBondContact O-N 3.39Å; R547-R549 PolarHBondContact O-N 3.27Å; R547-R549 VanDerWaalsContact O-N 3.15Å |
| 550 | Q | 69.1 | Low | 77.2 | Confident | 124 Ų | 124 | 74.9 Ų | 74.9 | 58% | 0.579 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -77.6 | -25.4 | -171.2 | -168.4 | 169.1 | 7.3 | 0 | 0 | 113 | L546 R547 | L546-Q550 WeakPolarHBondContact O-CB 3.45Å; L546-Q550 PolarHBondContact O-N 3.14Å; R547-Q550 PolarHBondContact O-N 2.86Å; R547-Q550 VanDerWaalsContact O-N 3.08Å |
| 551 | F | 64.3 | Low | 75.6 | Confident | 65 Ų | 65 | 78.6 Ų | 78.6 | 29% | 0.285 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 28.9 | -174.6 | -61.5 | -74.3 | 0 | 0 | 0 | 114.3 | D302 N303 R547 V553 | D302-F551 HydrophobicContact CB-CZ 4.48Å; D302-F551 VanDerWaalsContact O-CE1 3.28Å; D302-F551 WeakPolarHBondContact O-CE1 3.4Å; D302-F551 WeakPolarHBondContact O-CZ 3.19Å; N303-F551 HydrophobicContact CB-CD1 4.23Å; N303-F551 HydrophobicContact CB-CE1 3.86Å; R547-F551 WeakPolarHBondContact O-CD2 3.5Å; R547-F551 PolarHBondContact O-N 3.03Å; F551-V553 PolarHBondContact O-N 3.38Å |
| 552 | A | 54.4 | Low | 73.8 | Confident | 74 Ų | 74 | 80 Ų | 80 | 61% | 0.612 | 42% | 0.419 | S | S | * | . | trans | -67.5 | 100.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A554 | A552-A554 PolarHBondContact O-N 3.29Š| ||
| 553 | V | 54.9 | Low | 72.1 | Confident | 144 Ų | 144 | 77.4 Ų | 77.4 | 87% | 0.873 | 41% | 0.407 | S | S | * | . | trans | 24.8 | 56.3 | 155.8 | -156 | 0 | 0 | 0 | 0 | 117.2 | F551 | F551-V553 PolarHBondContact O-N 3.38Š| ||
| 554 | A | 62.5 | Low | 70.6 | Confident | 68 Ų | 68 | 82.7 Ų | 82.7 | 56% | 0.562 | 44% | 0.443 | S | S | * | . | trans | -94.3 | 124.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q306 A552 A556 | Q306-A554 VanDerWaalsContact CD-O 3.28Å; Q306-A554 PolarHBondContact NE2-O 3.15Å; Q306-A554 VanDerWaalsContact NE2-O 3.15Å; A552-A554 PolarHBondContact O-N 3.29Å; A554-A556 PolarHBondContact O-N 3.31Å | ||
| 555 | D | 75.3 | Confident | 70.2 | Confident | 71 Ų | 71 | 84.2 Ų | 84.2 | 38% | 0.38 | 45% | 0.448 | S | S | . | . | trans | -68.4 | 116.7 | 172.5 | -177.6 | -17.6 | 0 | 0 | 0 | 108.8 | L557 E558 D559 | D555-L557 PolarHBondContact O-N 3.45Å; D555-L557 WeakPolarHBondContact OD1-CB 3.37Å; D555-L557 PolarHBondContact OD1-N 2.71Å; D555-E558 HydrophobicContact CB-CB 4.05Å; D555-E558 HydrophobicContact CB-CG 3.8Å; D555-E558 PolarHBondContact O-N 3.13Å; D555-D559 PolarHBondContact O-N 3.04Å | ||
| 556 | A | 76.6 | Confident | 70.2 | Confident | 4 Ų | 4 | 80.1 Ų | 80.1 | 3% | 0.033 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61 | -26.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y294 L298 Q306 I310 A554 V560 | Y294-A556 HydrophobicContact CE1-CB 3.94Å; Y294-A556 PolarHBondContact OH-O 3.4Å; L298-A556 HydrophobicContact CD1-CB 4.11Å; Q306-A556 HydrophobicContact CB-CB 3.94Å; Q306-A556 HydrophobicContact CG-CB 4.11Å; I310-A556 HydrophobicContact CD1-CB 4.32Å; I310-A556 HydrophobicContact CG1-CB 4.36Å; A554-A556 PolarHBondContact O-N 3.31Å; A556-V560 WeakPolarHBondContact O-CG2 3.48Å |
| 557 | L | 75.5 | Confident | 70.4 | Confident | 39 Ų | 39 | 77.9 Ų | 77.9 | 20% | 0.204 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -79.2 | -28.9 | 175.9 | -68 | 178.1 | 0 | 0 | 0 | 112.6 | L291 I310 D555 V560 N561 | L291-L557 HydrophobicContact CD2-CD2 3.78Å; I310-L557 HydrophobicContact CD1-CD1 4.15Å; I310-L557 HydrophobicContact CD1-CD2 3.32Å; I310-L557 HydrophobicContact CD1-CG 3.46Å; I310-L557 VanDerWaalsContact CD1-CG 3.46Å; D555-L557 PolarHBondContact O-N 3.45Å; D555-L557 WeakPolarHBondContact OD1-CB 3.37Å; D555-L557 PolarHBondContact OD1-N 2.71Å; L557-V560 PolarHBondContact O-N 3.49Å; L557-N561 PolarHBondContact O-OD1 3.2Å |
| 558 | E | 72.4 | Confident | 70.8 | Confident | 129 Ų | 129 | 80.4 Ų | 80.4 | 60% | 0.603 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67.1 | -40.3 | 173.7 | -71.3 | -173.9 | 163.7 | 0 | 0 | 111.4 | D555 V560 N561 | D555-E558 HydrophobicContact CB-CB 4.05Å; D555-E558 HydrophobicContact CB-CG 3.8Å; D555-E558 PolarHBondContact O-N 3.13Å; E558-V560 VanDerWaalsContact C-N 3.25Å; E558-V560 PolarHBondContact O-N 2.93Å; E558-N561 VanDerWaalsContact O-CB 3.25Å; E558-N561 WeakPolarHBondContact O-CB 3.34Å; E558-N561 PolarHBondContact O-N 3.32Å |
| 559 | D | 67.1 | Low | 71.4 | Confident | 77 Ų | 77 | 79.5 Ų | 79.5 | 41% | 0.412 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.2 | -27.4 | 178.8 | -172.4 | 17.7 | 0 | 0 | 0 | 113 | K270 D555 N561 T562 | K270-D559 WeakPolarHBondContact CE-OD2 3.42Å; K270-D559 VanDerWaalsContact NZ-CG 3.29Å; K270-D559 IonicContact NZ-OD1 2.65Å; K270-D559 PolarHBondContact NZ-OD1 3.43Å; K270-D559 IonicContact NZ-OD2 2.77Å; K270-D559 PolarHBondContact NZ-OD2 3.46Å; D555-D559 PolarHBondContact O-N 3.04Å; D559-N561 VanDerWaalsContact C-N 3.31Å; D559-T562 PolarHBondContact O-OG1 3.2Å |
| 560 | V | 67.2 | Low | 72.1 | Confident | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.018 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -83.8 | -6.1 | 176.5 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | K270 V273 F274 Y294 A556 L557 E558 T562 | K270-V560 HydrophobicContact CB-CG2 4.35Å; K270-V560 HydrophobicContact CD-CG2 4.43Å; K270-V560 HydrophobicContact CG-CG2 3.97Å; K270-V560 WeakPolarHBondContact O-CG1 3.46Å; V273-V560 HydrophobicContact CB-CG1 3.85Å; V273-V560 HydrophobicContact CG1-CB 4.44Å; V273-V560 HydrophobicContact CG1-CG1 3.6Å; F274-V560 HydrophobicContact CB-CG1 4.38Å; Y294-V560 HydrophobicContact CE1-CG2 3.92Å; A556-V560 WeakPolarHBondContact O-CG2 3.48Å; L557-V560 PolarHBondContact O-N 3.49Å; E558-V560 VanDerWaalsContact C-N 3.25Å; E558-V560 PolarHBondContact O-N 2.93Å; V560-T562 PolarHBondContact O-N 2.86Å |
| 561 | N | 61.6 | Low | 73.3 | Confident | 89 Ų | 89 | 66.2 Ų | 66.2 | 48% | 0.476 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -70.8 | -13.6 | 177.3 | -68 | -28.1 | 0 | 0 | 0 | 113.8 | R277 L557 E558 D559 | R277-N561 PolarHBondContact NH1-OD1 3.14Å; L557-N561 PolarHBondContact O-OD1 3.2Å; E558-N561 VanDerWaalsContact O-CB 3.25Å; E558-N561 WeakPolarHBondContact O-CB 3.34Å; E558-N561 PolarHBondContact O-N 3.32Å; D559-N561 VanDerWaalsContact C-N 3.31Å |
| 562 | T | 57.8 | Low | 74.6 | Confident | 105 Ų | 105 | 68.7 Ų | 68.7 | 64% | 0.644 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -118.3 | 34.8 | -165.7 | 50.3 | 0 | 0 | 0 | 0 | 115.7 | D559 V560 P564 | D559-T562 PolarHBondContact O-OG1 3.2Å; V560-T562 PolarHBondContact O-N 2.86Å; T562-P564 VanDerWaalsContact C-CD 3.41Å; T562-P564 WeakPolarHBondContact O-CD 3.45Å |
| 563 | S | 57.8 | Low | 76.4 | Confident | 27 Ų | 27 | 67.8 Ų | 67.8 | 19% | 0.189 | 38% | 0.384 | C | S | . | . | trans | -102 | 85.4 | 173.3 | -166.5 | 0 | 0 | 0 | 0 | 112.8 | Q565 | S563-Q565 PolarHBondContact O-N 3.04Š| ||
| 564 | P | 62.8 | Low | 78.2 | Confident | 123 Ų | 123 | 61 Ų | 61 | 80% | 0.799 | 34% | 0.343 | S | S | * | . | trans | -80.4 | 6.5 | 176.2 | 35.5 | -38 | 0 | 0 | 0 | 113.4 | T562 | T562-P564 VanDerWaalsContact C-CD 3.41Å; T562-P564 WeakPolarHBondContact O-CD 3.45Å | ||
| 565 | Q | 80.3 | Confident | 79.6 | Confident | 91 Ų | 91 | 59.8 Ų | 59.8 | 43% | 0.425 | 33% | 0.327 | S | S | . | . | trans | -71.8 | 142.8 | -175.8 | -70.1 | -176.1 | -16.9 | 0 | 0 | 111.6 | H271 S563 V570 | H271-Q565 PolarHBondContact CE1-O 3.18Å; S563-Q565 PolarHBondContact O-N 3.04Å; Q565-V570 HydrophobicContact CB-CG2 4.05Å | ||
| 566 | A | 88.8 | Confident | 80.4 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 34% | 0.339 | 33% | 0.331 | S | S | . | . | trans | -69 | 148.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | E568 E569 V570 | A566-E568 PolarHBondContact O-N 2.96Å; A566-E569 HydrophobicContact CB-CG 4.12Å; A566-E569 PolarHBondContact N-OE2 2.7Å; A566-E569 WeakPolarHBondContact O-CB 3.31Å; A566-E569 PolarHBondContact O-N 3.09Å; A566-E569 VanDerWaalsContact O-N 3.07Å; A566-V570 PolarHBondContact O-N 2.97Å | ||
| 567 | T | 91.3 | Very high | 80.8 | Confident | 25 Ų | 25 | 62.6 Ų | 62.6 | 15% | 0.153 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.7 | -36.7 | -179.7 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | I236 V245 H271 E569 V570 V571 | I236-T567 HydrophobicContact CG2-CG2 4.34Å; V245-T567 HydrophobicContact CG1-CG2 3.63Å; H271-T567 WeakPolarHBondContact NE2-CA 3.36Å; H271-T567 PolarHBondContact NE2-OG1 2.94Å; T567-E569 VanDerWaalsContact C-N 3.32Å; T567-E569 PolarHBondContact O-N 2.87Å; T567-V570 PolarHBondContact O-N 3.26Å; T567-V571 HydrophobicContact CG2-CG2 4.23Å; T567-V571 VanDerWaalsContact O-CG2 3.26Å; T567-V571 WeakPolarHBondContact O-CG2 3.46Å; T567-V571 PolarHBondContact O-N 2.79Å |
| 568 | E | 91.5 | Very high | 80.6 | Confident | 96 Ų | 96 | 62.9 Ų | 62.9 | 45% | 0.449 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 177.1 | -61.3 | 78.7 | -171.1 | 0 | 0 | 111.7 | V238 A566 V571 Q572 | V238-E568 HydrophobicContact CG2-CG 4.34Å; V238-E568 WeakPolarHBondContact CG2-OE1 3.42Å; A566-E568 PolarHBondContact O-N 2.96Å; E568-V571 PolarHBondContact O-N 2.63Å; E568-Q572 WeakPolarHBondContact O-CB 3.47Å; E568-Q572 PolarHBondContact O-N 3.09Å |
| 569 | E | 91.4 | Very high | 80 | Confident | 108 Ų | 108 | 62.7 Ų | 62.7 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 178.8 | -66 | 174.8 | 171.3 | 0 | 0 | 111.4 | A566 T567 Q572 S573 | A566-E569 HydrophobicContact CB-CG 4.12Å; A566-E569 PolarHBondContact N-OE2 2.7Å; A566-E569 WeakPolarHBondContact O-CB 3.31Å; A566-E569 PolarHBondContact O-N 3.09Å; A566-E569 VanDerWaalsContact O-N 3.07Å; T567-E569 VanDerWaalsContact C-N 3.32Å; T567-E569 PolarHBondContact O-N 2.87Å; E569-Q572 PolarHBondContact O-N 2.84Å; E569-S573 VanDerWaalsContact O-CB 3.25Å; E569-S573 WeakPolarHBondContact O-CB 3.28Å; E569-S573 PolarHBondContact O-N 3.2Å |
| 570 | V | 92.2 | Very high | 79.2 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 176.5 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | Q267 L268 H271 Q565 A566 T567 S573 F574 | Q267-V570 HydrophobicContact CG-CG1 4.07Å; L268-V570 HydrophobicContact CD2-CG1 4.18Å; H271-V570 HydrophobicContact CB-CG1 4.31Å; H271-V570 HydrophobicContact CB-CG2 4.5Å; Q565-V570 HydrophobicContact CB-CG2 4.05Å; A566-V570 PolarHBondContact O-N 2.97Å; T567-V570 PolarHBondContact O-N 3.26Å; V570-S573 PolarHBondContact O-N 3.04Å; V570-F574 WeakPolarHBondContact O-CB 3.26Å; V570-F574 PolarHBondContact O-N 3.45Å |
| 571 | V | 93 | Very high | 77.9 | Confident | 10 Ų | 10 | 69.7 Ų | 69.7 | 6% | 0.061 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 178.1 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | M233 I236 T567 E568 F574 L575 | M233-V571 HydrophobicContact CE-CB 4.16Å; M233-V571 HydrophobicContact CE-CG1 4.17Å; M233-V571 HydrophobicContact CE-CG2 3.71Å; M233-V571 WeakPolarHBondContact O-CG1 3.45Å; I236-V571 HydrophobicContact CB-CG2 4.41Å; I236-V571 HydrophobicContact CD1-CG2 3.87Å; I236-V571 HydrophobicContact CG2-CG2 4.25Å; T567-V571 HydrophobicContact CG2-CG2 4.23Å; T567-V571 VanDerWaalsContact O-CG2 3.26Å; T567-V571 WeakPolarHBondContact O-CG2 3.46Å; T567-V571 PolarHBondContact O-N 2.79Å; E568-V571 PolarHBondContact O-N 2.63Å; V571-F574 WeakPolarHBondContact O-CB 3.1Å; V571-F574 PolarHBondContact O-N 3.39Å; V571-L575 HydrophobicContact CG1-CD1 3.9Å; V571-L575 HydrophobicContact CG1-CG 4.4Å; V571-L575 WeakPolarHBondContact O-CG 3.27Å; V571-L575 PolarHBondContact O-N 3.16Å |
| 572 | Q | 92.4 | Very high | 76.5 | Confident | 118 Ų | 118 | 70.4 Ų | 70.4 | 55% | 0.551 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.7 | -44 | 179.6 | -171.6 | 178.4 | 4.2 | 0 | 0 | 111.7 | E568 E569 F574 L575 L576 | E568-Q572 WeakPolarHBondContact O-CB 3.47Å; E568-Q572 PolarHBondContact O-N 3.09Å; E569-Q572 PolarHBondContact O-N 2.84Å; Q572-F574 VanDerWaalsContact C-N 3.33Å; Q572-F574 PolarHBondContact O-N 2.96Å; Q572-L575 PolarHBondContact O-N 3.34Å; Q572-L576 HydrophobicContact CG-CD1 3.96Å; Q572-L576 HydrophobicContact CG-CG 4.31Å; Q572-L576 WeakPolarHBondContact O-CB 3.03Å; Q572-L576 VanDerWaalsContact O-CG 3.3Å; Q572-L576 WeakPolarHBondContact O-CG 3.39Å; Q572-L576 PolarHBondContact O-N 2.92Å |
| 573 | S | 92.2 | Very high | 75.1 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -54.8 | -49.2 | 172.9 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | Q267 E569 V570 L575 L576 S577 | Q267-S573 PolarHBondContact OE1-OG 2.96Å; E569-S573 VanDerWaalsContact O-CB 3.25Å; E569-S573 WeakPolarHBondContact O-CB 3.28Å; E569-S573 PolarHBondContact O-N 3.2Å; V570-S573 PolarHBondContact O-N 3.04Å; S573-L575 PolarHBondContact O-N 2.64Å; S573-L576 PolarHBondContact O-N 2.97Å; S573-S577 PolarHBondContact O-N 3.09Å |
| 574 | F | 92.8 | Very high | 73.7 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.009 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -57.7 | -48.8 | 176.7 | 175 | -98.8 | 0 | 0 | 0 | 112.1 | I230 M233 C256 K264 L268 V570 V571 Q572 S577 | I230-F574 HydrophobicContact CG1-CE1 4.09Å; I230-F574 HydrophobicContact CG1-CZ 4.23Å; M233-F574 HydrophobicContact CB-CD1 4.37Å; M233-F574 HydrophobicContact CB-CE1 4.38Å; M233-F574 HydrophobicContact CE-CB 4.22Å; M233-F574 HydrophobicContact CE-CD1 3.78Å; M233-F574 HydrophobicContact CE-CE1 4.45Å; M233-F574 HydrophobicContact CE-CG 4.08Å; M233-F574 HydrophobicContact CG-CD1 4.16Å; M233-F574 HydrophobicContact CG-CE1 4.02Å; C256-F574 VanDerWaalsContact SG-CE2 3.59Å; K264-F574 HydrophobicContact CB-CD2 4.04Å; K264-F574 HydrophobicContact CB-CE2 4.09Å; K264-F574 HydrophobicContact CD-CD2 3.87Å; K264-F574 HydrophobicContact CD-CE2 3.82Å; K264-F574 HydrophobicContact CG-CD2 4.37Å; L268-F574 HydrophobicContact CD1-CD2 3.84Å; L268-F574 HydrophobicContact CD1-CE2 3.85Å; L268-F574 HydrophobicContact CD1-CG 4.48Å; L268-F574 HydrophobicContact CD1-CZ 4.49Å; L268-F574 HydrophobicContact CD2-CB 4.38Å; L268-F574 HydrophobicContact CD2-CD2 4.36Å; L268-F574 HydrophobicContact CD2-CG 4.36Å; L268-F574 HydrophobicContact CG-CD2 4.34Å; V570-F574 WeakPolarHBondContact O-CB 3.26Å; V570-F574 PolarHBondContact O-N 3.45Å; V571-F574 WeakPolarHBondContact O-CB 3.1Å; V571-F574 PolarHBondContact O-N 3.39Å; Q572-F574 VanDerWaalsContact C-N 3.33Å; Q572-F574 PolarHBondContact O-N 2.96Å; F574-S577 PolarHBondContact O-N 3.49Å; F574-S577 PolarHBondContact O-OG 3.42Å |
| 575 | L | 92.8 | Very high | 72.4 | Confident | 42 Ų | 42 | 72.9 Ų | 72.9 | 22% | 0.22 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -69.3 | -38.2 | -177.3 | -68.2 | 174.2 | 0 | 0 | 0 | 113 | I230 M233 K234 V571 Q572 S573 S577 Q578 | I230-L575 HydrophobicContact CG2-CD2 4.03Å; M233-L575 HydrophobicContact CB-CD2 4.26Å; K234-L575 HydrophobicContact CG-CD1 4.11Å; K234-L575 HydrophobicContact CG-CD2 4.02Å; V571-L575 HydrophobicContact CG1-CD1 3.9Å; V571-L575 HydrophobicContact CG1-CG 4.4Å; V571-L575 WeakPolarHBondContact O-CG 3.27Å; V571-L575 PolarHBondContact O-N 3.16Å; Q572-L575 PolarHBondContact O-N 3.34Å; S573-L575 PolarHBondContact O-N 2.64Å; L575-S577 VanDerWaalsContact C-N 3.3Å; L575-S577 PolarHBondContact O-N 2.88Å; L575-Q578 VanDerWaalsContact O-CB 3.29Å; L575-Q578 WeakPolarHBondContact O-CB 2.91Å; L575-Q578 PolarHBondContact O-N 2.93Å; L575-Q578 VanDerWaalsContact O-N 3.14Å |
| 576 | L | 90.3 | Very high | 70.1 | Confident | 91 Ų | 91 | 76.9 Ų | 76.9 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 178.2 | -74.2 | 172.7 | 0 | 0 | 0 | 112.2 | Q572 S573 Q578 N579 H580 | Q572-L576 HydrophobicContact CG-CD1 3.96Å; Q572-L576 HydrophobicContact CG-CG 4.31Å; Q572-L576 WeakPolarHBondContact O-CB 3.03Å; Q572-L576 VanDerWaalsContact O-CG 3.3Å; Q572-L576 WeakPolarHBondContact O-CG 3.39Å; Q572-L576 PolarHBondContact O-N 2.92Å; S573-L576 PolarHBondContact O-N 2.97Å; L576-Q578 PolarHBondContact O-N 3.36Å; L576-N579 PolarHBondContact O-N 3.45Å; L576-H580 PolarHBondContact O-ND1 2.88Å |
| 577 | S | 84.9 | Confident | 69.1 | Low | 43 Ų | 43 | 78.7 Ų | 78.7 | 30% | 0.301 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -15.7 | 176.6 | 76.9 | 0 | 0 | 0 | 0 | 113.6 | K264 S573 F574 L575 | K264-S577 WeakPolarHBondContact CD-OG 3.35Å; K264-S577 WeakPolarHBondContact CE-OG 3.09Å; K264-S577 PolarHBondContact NZ-OG 3.18Å; S573-S577 PolarHBondContact O-N 3.09Å; F574-S577 PolarHBondContact O-N 3.49Å; F574-S577 PolarHBondContact O-OG 3.42Å; L575-S577 VanDerWaalsContact C-N 3.3Å; L575-S577 PolarHBondContact O-N 2.88Å |
| 578 | Q | 72.9 | Confident | 68 | Low | 44 Ų | 44 | 81.5 Ų | 81.5 | 21% | 0.206 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -32.7 | 175 | -58 | -58.8 | -32.1 | 0 | 0 | 112.3 | Y226 I230 L575 L576 H580 | Y226-Q578 PolarHBondContact OH-NE2 3.25Å; Y226-Q578 PolarHBondContact OH-OE1 2.89Å; I230-Q578 HydrophobicContact CD1-CG 4.25Å; L575-Q578 VanDerWaalsContact O-CB 3.29Å; L575-Q578 WeakPolarHBondContact O-CB 2.91Å; L575-Q578 PolarHBondContact O-N 2.93Å; L575-Q578 VanDerWaalsContact O-N 3.14Å; L576-Q578 PolarHBondContact O-N 3.36Å; Q578-H580 PolarHBondContact O-N 2.78Å |
| 579 | N | 58.4 | Low | 66.7 | Low | 126 Ų | 126 | 80.7 Ų | 80.7 | 67% | 0.674 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -11.3 | -175.7 | -67.8 | -23.9 | 0 | 0 | 0 | 113.6 | L576 | L576-N579 PolarHBondContact O-N 3.45Š|
| 580 | H | 50.5 | Low | 65.2 | Low | 159 Ų | 159 | 79.1 Ų | 79.1 | 74% | 0.736 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -0.8 | -175.7 | -66.9 | 63.2 | 0 | 0 | 0 | 113.2 | L576 Q578 | L576-H580 PolarHBondContact O-ND1 2.88Å; Q578-H580 PolarHBondContact O-N 2.78Å |
| 581 | G | 41.4 | Very low | 63.5 | Low | 68 Ų | 68 | 84 Ų | 84 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | trans | -94.1 | 3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | G583 | G581-G583 PolarHBondContact O-N 2.72Š| ||
| 582 | A | 30.5 | Very low | 61.5 | Low | 103 Ų | 103 | 88.9 Ų | 88.9 | 85% | 0.851 | 58% | 0.584 | S | S | * | * | trans | -95.2 | 27.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 583 | G | 28.8 | Very low | 59.3 | Low | 53 Ų | 53 | 86.9 Ų | 86.9 | 55% | 0.546 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -106.5 | 136 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G581 | G581-G583 PolarHBondContact O-N 2.72Š|
| 584 | P | 28.2 | Very low | 56.8 | Low | 121 Ų | 121 | 89.3 Ų | 89.3 | 79% | 0.786 | 60% | 0.602 | S | S | * | * | trans | -62.4 | 142.2 | 172.1 | 27.5 | -31 | 0 | 0 | 0 | 109.2 | A586 | P584-A586 PolarHBondContact O-N 3.36Š| ||
| 585 | P | 35.4 | Very low | 53.8 | Low | 133 Ų | 133 | 96.6 Ų | 96.6 | 86% | 0.864 | 65% | 0.651 | S | S | * | * | trans | -61.4 | 130.7 | 174.6 | 24.8 | -30.9 | 0 | 0 | 0 | 109.4 | ||||
| 586 | A | 31.9 | Very low | 50.3 | Low | 176 Ų | 176 | 101.5 Ų | 101.5 | 100% | 1.455 | 69% | 0.69 | S | S | * | * | trans | -74.8 | 0 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P584 | P584-A586 PolarHBondContact O-N 3.36Š|
Retrieved 586 of 586 residues in 772.9 ms
(Link to these results)