| 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 | 27.5 | Very low | 40.2 | Very low | 172 Ų | 172 | 108.3 Ų | 108.3 | 85% | 0.847 | 60% | 0.599 | S | S | * | * | 0 | 152.7 | 0 | -73.5 | -178.9 | -163.5 | 0 | 0 | 107.7 | E133 | M1-E133 PolarHBondContact N-OE1 3.1Š| |||
| 2 | P | 33.7 | Very low | 42.4 | Very low | 75 Ų | 75 | 99.5 Ų | 99.5 | 49% | 0.487 | 55% | 0.55 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 146.1 | 169.3 | 24.6 | -30.5 | 0 | 0 | 0 | 109.8 | A4 Y487 | P2-A4 PolarHBondContact O-N 3.24Å; P2-A4 VanDerWaalsContact O-N 3.11Å; P2-Y487 HydrophobicContact CB-CE1 4.1Å; P2-Y487 HydrophobicContact CG-CE1 4.17Å |
| 3 | P | 36.1 | Very low | 43.2 | Very low | 72 Ų | 72 | 94.6 Ų | 94.6 | 47% | 0.468 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 122.9 | 172.6 | 22.9 | -30.9 | 0 | 0 | 0 | 107.5 | M5 | P3-M5 PolarHBondContact O-N 2.76Å; P3-M5 VanDerWaalsContact O-N 3.1Å |
| 4 | A | 35.6 | Very low | 43.6 | Very low | 54 Ų | 54 | 91.9 Ų | 91.9 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -47 | 119.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P2 T6 | P2-A4 PolarHBondContact O-N 3.24Å; P2-A4 VanDerWaalsContact O-N 3.11Å; A4-T6 PolarHBondContact O-N 3.35Å; A4-T6 VanDerWaalsContact O-N 3.07Å |
| 5 | M | 33.7 | Very low | 43.8 | Very low | 169 Ų | 169 | 88.6 Ų | 88.6 | 83% | 0.833 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 118.2 | 149.1 | -83 | -147.4 | -76.4 | 0 | 0 | 104.7 | P3 D7 | P3-M5 PolarHBondContact O-N 2.76Å; P3-M5 VanDerWaalsContact O-N 3.1Å; M5-D7 PolarHBondContact O-N 3.39Å |
| 6 | T | 36.8 | Very low | 43.5 | Very low | 110 Ų | 110 | 85.1 Ų | 85.1 | 68% | 0.675 | 49% | 0.486 | S | S | * | . | trans | -64.7 | 76.7 | 174.3 | 43.9 | 0 | 0 | 0 | 0 | 108.1 | A4 | A4-T6 PolarHBondContact O-N 3.35Å; A4-T6 VanDerWaalsContact O-N 3.07Å | ||
| 7 | D | 34.5 | Very low | 43.2 | Very low | 114 Ų | 114 | 84.5 Ų | 84.5 | 61% | 0.61 | 49% | 0.487 | S | S | * | . | trans | -76.3 | 128.9 | 167.8 | -106.5 | -26.8 | 0 | 0 | 0 | 107.7 | M5 L9 | M5-D7 PolarHBondContact O-N 3.39Å; D7-L9 PolarHBondContact O-N 3.47Å | ||
| 8 | L | 38.6 | Very low | 43 | Very low | 174 Ų | 174 | 84.4 Ų | 84.4 | 91% | 0.911 | 48% | 0.484 | S | S | * | . | S | Bend | trans | 24.5 | -5 | 147.8 | -78.4 | 146.3 | 0 | 0 | 0 | 123.5 | ||
| 9 | L | 44.1 | Very low | 42.8 | Very low | 150 Ų | 150 | 82.9 Ų | 82.9 | 79% | 0.785 | 48% | 0.482 | S | S | * | . | trans | -130.9 | 15.8 | -168.9 | -87.6 | 158.8 | 0 | 0 | 0 | 113.1 | D7 I11 | D7-L9 PolarHBondContact O-N 3.47Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 3.1Å | ||
| 10 | D | 58.8 | Low | 42.6 | Very low | 28 Ų | 28 | 82 Ų | 82 | 15% | 0.15 | 49% | 0.492 | C | S | . | . | trans | -71.5 | 94.4 | 171.6 | -174.8 | -11.3 | 0 | 0 | 0 | 109.6 | W12 A13 A14 R99 | D10-W12 PolarHBondContact O-N 3.14Å; D10-W12 VanDerWaalsContact O-N 3.08Å; D10-W12 WeakPolarHBondContact OD1-CA 3.32Å; D10-W12 VanDerWaalsContact OD1-CB 3.23Å; D10-W12 WeakPolarHBondContact OD1-CB 3.2Å; D10-W12 PolarHBondContact OD1-N 3.03Å; D10-A13 HydrophobicContact CB-CB 3.71Å; D10-A13 VanDerWaalsContact CG-CB 3.45Å; D10-A13 CarbonylContact O-C 3.49Å; D10-A13 WeakPolarHBondContact O-CA 3.3Å; D10-A13 PolarHBondContact O-N 3.35Å; D10-A13 PolarHBondContact OD1-N 3.34Å; D10-A13 VanDerWaalsContact OD1-N 3.09Å; D10-A13 WeakPolarHBondContact OD2-CB 3.43Å; D10-A14 PolarHBondContact O-N 3Å; D10-A14 VanDerWaalsContact O-N 3.16Å; D10-R99 IonicContact OD2-CZ 3.92Å; D10-R99 IonicContact OD2-NE 2.92Å; D10-R99 IonicContact OD2-NH2 2.66Å; D10-R99 PolarHBondContact OD2-NH2 3.28Å | ||
| 11 | I | 63 | Low | 42.5 | Very low | 73 Ų | 73 | 86.2 Ų | 86.2 | 37% | 0.374 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -21.7 | 177.4 | 64 | -176.9 | 0 | 0 | 0 | 112.4 | L9 I26 P103 | L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 3.1Å; I11-I26 HydrophobicContact CD1-CD1 4.02Å; I11-I26 HydrophobicContact CG1-CD1 4.49Å; I11-P103 HydrophobicContact CD1-CB 4.45Å; I11-P103 HydrophobicContact CD1-CG 4.18Å |
| 12 | W | 66.9 | Low | 43.7 | Very low | 3 Ų | 3 | 79.7 Ų | 79.7 | 1% | 0.011 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -23.9 | 175.6 | -44.9 | 100.3 | 0 | 0 | 0 | 112.6 | D10 I26 R44 L95 R99 P100 P103 | D10-W12 PolarHBondContact O-N 3.14Å; D10-W12 VanDerWaalsContact O-N 3.08Å; D10-W12 WeakPolarHBondContact OD1-CA 3.32Å; D10-W12 VanDerWaalsContact OD1-CB 3.23Å; D10-W12 WeakPolarHBondContact OD1-CB 3.2Å; D10-W12 PolarHBondContact OD1-N 3.03Å; W12-I26 HydrophobicContact CE3-CD1 4.45Å; W12-I26 HydrophobicContact CH2-CD1 3.54Å; W12-I26 HydrophobicContact CH2-CG2 4.34Å; W12-I26 HydrophobicContact CZ2-CD1 4.05Å; W12-I26 HydrophobicContact CZ3-CD1 3.75Å; W12-I26 HydrophobicContact CZ3-CG2 4.24Å; W12-R44 PolarHBondContact O-NH2 3.2Å; W12-L95 HydrophobicContact CH2-CD1 3.99Å; W12-L95 HydrophobicContact CH2-CD2 3.76Å; W12-L95 HydrophobicContact CH2-CG 3.58Å; W12-L95 HydrophobicContact CZ3-CD1 4.43Å; W12-L95 HydrophobicContact CZ3-CD2 3.86Å; W12-L95 HydrophobicContact CZ3-CG 3.59Å; W12-R99 HydrophobicContact CB-CB 4.3Å; W12-R99 HydrophobicContact CB-CG 3.94Å; W12-R99 HydrophobicContact CG-CB 3.97Å; W12-R99 HydrophobicContact CG-CG 4.08Å; W12-P100 HydrophobicContact CH2-CG 4.09Å; W12-P100 VanDerWaalsContact CZ2-CD 3.46Å; W12-P100 HydrophobicContact CZ2-CG 3.49Å; W12-P100 VanDerWaalsContact CZ2-CG 3.49Å; W12-P100 PolarHBondContact NE1-O 3.01Å; W12-P103 HydrophobicContact CH2-CB 4.37Å; W12-P103 HydrophobicContact CZ2-CB 4.22Å |
| 13 | A | 53 | Low | 44.7 | Very low | 36 Ų | 36 | 80.6 Ų | 80.6 | 30% | 0.298 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -95 | 6.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D10 H15 | D10-A13 HydrophobicContact CB-CB 3.71Å; D10-A13 VanDerWaalsContact CG-CB 3.45Å; D10-A13 CarbonylContact O-C 3.49Å; D10-A13 WeakPolarHBondContact O-CA 3.3Å; D10-A13 PolarHBondContact O-N 3.35Å; D10-A13 PolarHBondContact OD1-N 3.34Å; D10-A13 VanDerWaalsContact OD1-N 3.09Å; D10-A13 WeakPolarHBondContact OD2-CB 3.43Å; A13-H15 PolarHBondContact O-CD2 2.85Å; A13-H15 VanDerWaalsContact O-CD2 3.25Å; A13-H15 PolarHBondContact O-N 3.48Å |
| 14 | A | 48.7 | Very low | 46.3 | Very low | 56 Ų | 56 | 84 Ų | 84 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | trans | -63.2 | 72.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | D10 S16 | D10-A14 PolarHBondContact O-N 3Å; D10-A14 VanDerWaalsContact O-N 3.16Å; A14-S16 PolarHBondContact O-N 3.03Å | ||
| 15 | H | 45.6 | Very low | 48.6 | Very low | 43 Ų | 43 | 86.7 Ų | 86.7 | 20% | 0.199 | 50% | 0.503 | C | S | . | . | trans | -81.2 | 114 | 172.6 | -65.7 | -66.4 | 0 | 0 | 0 | 108 | A13 L728 Y760 | A13-H15 PolarHBondContact O-CD2 2.85Å; A13-H15 VanDerWaalsContact O-CD2 3.25Å; A13-H15 PolarHBondContact O-N 3.48Å; H15-L728 HydrophobicContact CB-CD1 4.08Å; H15-Y760 PolarHBondContact CE1-OH 3.04Å | ||
| 16 | S | 39.5 | Very low | 51.2 | Low | 32 Ų | 32 | 80 Ų | 80 | 22% | 0.224 | 47% | 0.47 | C | S | . | . | trans | -149.1 | 89.6 | 147.9 | -150 | 0 | 0 | 0 | 0 | 112.2 | A14 L18 A19 G20 | A14-S16 PolarHBondContact O-N 3.03Å; S16-L18 PolarHBondContact O-N 3.25Å; S16-L18 VanDerWaalsContact OG-C 3.27Å; S16-L18 PolarHBondContact OG-N 3.04Å; S16-A19 PolarHBondContact O-N 2.96Å; S16-A19 WeakPolarHBondContact OG-CA 3.45Å; S16-A19 WeakPolarHBondContact OG-CB 3.46Å; S16-A19 PolarHBondContact OG-N 3.37Å; S16-G20 PolarHBondContact O-N 3.43Å | ||
| 17 | P | 39.1 | Very low | 53.8 | Low | 76 Ų | 76 | 77.7 Ų | 77.7 | 49% | 0.494 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.2 | 149.5 | -14.5 | 28.3 | 0 | 0 | 0 | 110.9 | ||
| 18 | L | 39 | Very low | 56.7 | Low | 83 Ų | 83 | 72.2 Ų | 72.2 | 44% | 0.435 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -5 | 179.6 | -76.1 | 157 | 0 | 0 | 0 | 114.2 | S16 | S16-L18 PolarHBondContact O-N 3.25Å; S16-L18 VanDerWaalsContact OG-C 3.27Å; S16-L18 PolarHBondContact OG-N 3.04Å |
| 19 | A | 39.7 | Very low | 59.5 | Low | 55 Ų | 55 | 65.8 Ų | 65.8 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.9 | 14.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | S16 H21 | S16-A19 PolarHBondContact O-N 2.96Å; S16-A19 WeakPolarHBondContact OG-CA 3.45Å; S16-A19 WeakPolarHBondContact OG-CB 3.46Å; S16-A19 PolarHBondContact OG-N 3.37Å; A19-H21 WeakPolarHBondContact O-CB 3.24Å; A19-H21 PolarHBondContact O-CD2 3.1Å; A19-H21 VanDerWaalsContact O-CG 3.22Å; A19-H21 PolarHBondContact O-N 2.87Å |
| 20 | G | 38.6 | Very low | 62.1 | Low | 65 Ų | 65 | 58.6 Ų | 58.6 | 67% | 0.67 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 14.4 | 166 | 0 | 0 | 0 | 0 | 0 | 117.7 | S16 | S16-G20 PolarHBondContact O-N 3.43Š|
| 21 | H | 41 | Very low | 63.9 | Low | 170 Ų | 170 | 60.7 Ų | 60.7 | 79% | 0.787 | 37% | 0.367 | S | S | * | . | trans | -142.7 | 31.4 | -164.5 | -65.3 | -27.1 | 0 | 0 | 0 | 114.2 | A19 | A19-H21 WeakPolarHBondContact O-CB 3.24Å; A19-H21 PolarHBondContact O-CD2 3.1Å; A19-H21 VanDerWaalsContact O-CG 3.22Å; A19-H21 PolarHBondContact O-N 2.87Å | ||
| 22 | A | 51.2 | Low | 65.4 | Low | 36 Ų | 36 | 57.8 Ų | 57.8 | 30% | 0.298 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -77.8 | 124.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | D24 | A22-D24 PolarHBondContact O-N 3.44Š|
| 23 | P | 55.8 | Low | 66.6 | Low | 94 Ų | 94 | 61 Ų | 61 | 61% | 0.61 | 37% | 0.373 | S | S | * | . | trans | -67.8 | 124.7 | -179.2 | 29.2 | -33.9 | 0 | 0 | 0 | 108.8 | Q25 | P23-Q25 WeakPolarHBondContact CB-O 3.39Å; P23-Q25 PolarHBondContact O-N 3.25Å; P23-Q25 VanDerWaalsContact O-N 3.13Å | ||
| 24 | D | 69.4 | Low | 68.5 | Low | 144 Ų | 144 | 61.1 Ų | 61.1 | 77% | 0.77 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -59.8 | -21.4 | 176.8 | -76.7 | -27.3 | 0 | 0 | 0 | 111.9 | A22 P43 R44 | A22-D24 PolarHBondContact O-N 3.44Å; D24-P43 CarbonylContact O-C 3.55Å; D24-P43 WeakPolarHBondContact O-CA 3.29Å; D24-R44 PolarHBondContact O-N 2.74Å |
| 25 | Q | 82.8 | Confident | 70.5 | Confident | 110 Ų | 110 | 61.9 Ų | 61.9 | 51% | 0.514 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 145.9 | 175.7 | -63.4 | -173.8 | -10.7 | 0 | 0 | 111.3 | P23 D41 V42 | P23-Q25 WeakPolarHBondContact CB-O 3.39Å; P23-Q25 PolarHBondContact O-N 3.25Å; P23-Q25 VanDerWaalsContact O-N 3.13Å; Q25-D41 HydrophobicContact CB-CB 4.32Å; Q25-V42 CarbonylContact C-O 3.41Å; Q25-V42 VanDerWaalsContact CA-O 3.29Å; Q25-V42 WeakPolarHBondContact CA-O 3.39Å |
| 26 | I | 88.5 | Confident | 72.9 | Confident | 27 Ų | 27 | 61 Ų | 61 | 14% | 0.138 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 134.3 | 174.9 | -172.2 | 168.6 | 0 | 0 | 0 | 109.4 | I11 W12 V28 D41 V42 L95 P103 | I11-I26 HydrophobicContact CD1-CD1 4.02Å; I11-I26 HydrophobicContact CG1-CD1 4.49Å; W12-I26 HydrophobicContact CE3-CD1 4.45Å; W12-I26 HydrophobicContact CH2-CD1 3.54Å; W12-I26 HydrophobicContact CH2-CG2 4.34Å; W12-I26 HydrophobicContact CZ2-CD1 4.05Å; W12-I26 HydrophobicContact CZ3-CD1 3.75Å; W12-I26 HydrophobicContact CZ3-CG2 4.24Å; I26-V28 HydrophobicContact CG2-CG2 4Å; I26-V28 PolarHBondContact O-N 2.96Å; I26-D41 WeakPolarHBondContact O-CA 3.35Å; I26-V42 HydrophobicContact CG2-CG2 3.98Å; I26-V42 PolarHBondContact N-O 3.34Å; I26-V42 PolarHBondContact O-N 2.95Å; I26-L95 HydrophobicContact CG2-CD2 3.67Å; I26-P103 HydrophobicContact CD1-CB 4.01Å; I26-P103 HydrophobicContact CG1-CB 4.28Å |
| 27 | T | 92.8 | Very high | 75.6 | Confident | 62 Ų | 62 | 64.9 Ų | 64.9 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 119.6 | 174.1 | -46.6 | 0 | 0 | 0 | 0 | 109.2 | Q39 D41 P103 | T27-Q39 HydrophobicContact CG2-CG 3.38Å; T27-D41 VanDerWaalsContact CA-OD1 3.28Å; T27-D41 WeakPolarHBondContact CA-OD1 3.48Å; T27-D41 VanDerWaalsContact CB-OD1 3.3Å; T27-D41 WeakPolarHBondContact CB-OD1 3.12Å; T27-D41 PolarHBondContact OG1-OD1 3.35Å; T27-P103 WeakPolarHBondContact O-CB 3.47Å |
| 28 | V | 95.4 | Very high | 78.4 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.3 | -179.4 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | I26 F30 Q39 M40 V42 L95 P103 L105 | I26-V28 HydrophobicContact CG2-CG2 4Å; I26-V28 PolarHBondContact O-N 2.96Å; V28-F30 HydrophobicContact CB-CE2 3.69Å; V28-F30 HydrophobicContact CB-CZ 3.88Å; V28-F30 HydrophobicContact CG1-CD1 4.47Å; V28-F30 HydrophobicContact CG1-CD2 4.2Å; V28-F30 HydrophobicContact CG1-CE1 3.98Å; V28-F30 HydrophobicContact CG1-CE2 3.6Å; V28-F30 HydrophobicContact CG1-CZ 3.49Å; V28-F30 VanDerWaalsContact CG1-CZ 3.49Å; V28-F30 WeakPolarHBondContact O-CD2 3.18Å; V28-F30 WeakPolarHBondContact O-CE2 3.22Å; V28-Q39 WeakPolarHBondContact O-CA 3.24Å; V28-M40 PolarHBondContact N-O 3.11Å; V28-M40 PolarHBondContact O-N 3.47Å; V28-M40 VanDerWaalsContact O-N 3.1Å; V28-V42 HydrophobicContact CB-CG2 4.12Å; V28-V42 HydrophobicContact CG2-CG2 3.42Å; V28-V42 VanDerWaalsContact CG2-CG2 3.42Å; V28-L95 HydrophobicContact CG2-CD2 3.85Å; V28-P103 CarbonylContact C-O 3.51Å; V28-P103 VanDerWaalsContact CA-O 3.29Å; V28-P103 WeakPolarHBondContact CA-O 3.39Å; V28-P103 WeakPolarHBondContact CG1-O 3.2Å; V28-P103 HydrophobicContact CG2-CB 4.07Å; V28-L105 HydrophobicContact CG1-CB 4.32Å; V28-L105 HydrophobicContact CG1-CD1 4.13Å; V28-L105 HydrophobicContact CG1-CG 3.95Å |
| 29 | D | 97.5 | Very high | 81.1 | Confident | 38 Ų | 38 | 62.5 Ų | 62.5 | 20% | 0.203 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 126.5 | 175.6 | -63.3 | -18.5 | 0 | 0 | 0 | 110 | Y37 Q39 P103 V104 L105 | D29-Y37 HydrophobicContact CB-CE2 3.77Å; D29-Y37 PolarHBondContact OD1-OH 2.79Å; D29-Y37 VanDerWaalsContact OD1-OH 3.06Å; D29-Q39 WeakPolarHBondContact OD1-CG 3.37Å; D29-Q39 PolarHBondContact OD1-NE2 3.34Å; D29-P103 PolarHBondContact N-O 3.41Å; D29-V104 HydrophobicContact CB-CB 4.5Å; D29-V104 HydrophobicContact CB-CG1 4.37Å; D29-V104 HydrophobicContact CB-CG2 4.12Å; D29-V104 CarbonylContact O-C 3.6Å; D29-V104 WeakPolarHBondContact O-CA 3.35Å; D29-L105 PolarHBondContact O-N 3.46Å |
| 30 | F | 97.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 122.6 | -178.9 | -63.6 | -86.4 | 0 | 0 | 0 | 110.7 | V28 Y37 I38 M40 V42 I51 L55 F76 L105 | V28-F30 HydrophobicContact CB-CE2 3.69Å; V28-F30 HydrophobicContact CB-CZ 3.88Å; V28-F30 HydrophobicContact CG1-CD1 4.47Å; V28-F30 HydrophobicContact CG1-CD2 4.2Å; V28-F30 HydrophobicContact CG1-CE1 3.98Å; V28-F30 HydrophobicContact CG1-CE2 3.6Å; V28-F30 HydrophobicContact CG1-CZ 3.49Å; V28-F30 VanDerWaalsContact CG1-CZ 3.49Å; V28-F30 WeakPolarHBondContact O-CD2 3.18Å; V28-F30 WeakPolarHBondContact O-CE2 3.22Å; F30-Y37 WeakPolarHBondContact O-CA 3.34Å; F30-I38 WeakPolarHBondContact CA-O 3.26Å; F30-I38 HydrophobicContact CB-CB 4.31Å; F30-I38 WeakPolarHBondContact CB-O 3.49Å; F30-I38 PolarHBondContact N-O 3.17Å; F30-I38 PolarHBondContact O-N 3.31Å; F30-M40 HydrophobicContact CD2-CE 3.93Å; F30-M40 HydrophobicContact CD2-CG 3.97Å; F30-M40 HydrophobicContact CD2-SD 4.44Å; F30-M40 HydrophobicContact CE2-CE 4.07Å; F30-M40 HydrophobicContact CE2-CG 3.41Å; F30-M40 VanDerWaalsContact CE2-CG 3.41Å; F30-M40 HydrophobicContact CE2-SD 3.97Å; F30-M40 HydrophobicContact CZ-CG 4.31Å; F30-V42 HydrophobicContact CE2-CG1 4.32Å; F30-V42 HydrophobicContact CZ-CG1 4.07Å; F30-I51 HydrophobicContact CE1-CG2 3.54Å; F30-I51 HydrophobicContact CZ-CG2 3.51Å; F30-L55 HydrophobicContact CB-CD1 3.68Å; F30-L55 HydrophobicContact CB-CD2 4.25Å; F30-L55 HydrophobicContact CD1-CD1 3.99Å; F30-L55 HydrophobicContact CD1-CD2 3.67Å; F30-L55 HydrophobicContact CD1-CG 4.27Å; F30-L55 HydrophobicContact CD2-CD1 4.16Å; F30-L55 HydrophobicContact CE1-CD2 4.31Å; F30-L55 HydrophobicContact CG-CD1 3.66Å; F30-L55 HydrophobicContact CG-CD2 4.15Å; F30-L55 HydrophobicContact CG-CG 4.43Å; F30-F76 AromaticContact CD1-CE1 3.67Å; F30-F76 HydrophobicContact CD1-CE1 3.67Å; F30-F76 AromaticContact CD1-CZ 3.9Å; F30-F76 HydrophobicContact CD1-CZ 3.9Å; F30-F76 AromaticContact CE1-CE1 3.9Å; F30-F76 HydrophobicContact CE1-CE1 3.9Å; F30-F76 AromaticContact CE1-CZ 3.71Å; F30-F76 HydrophobicContact CE1-CZ 3.71Å; F30-L105 VanDerWaalsContact CA-O 3.31Å; F30-L105 WeakPolarHBondContact CA-O 3.35Å; F30-L105 HydrophobicContact CD1-CB 4Å; F30-L105 HydrophobicContact CE1-CB 4.03Å; F30-L105 HydrophobicContact CE1-CD1 3.84Å; F30-L105 HydrophobicContact CE1-CG 4.45Å; F30-L105 HydrophobicContact CZ-CD1 4.44Å |
| 31 | L | 97.1 | Very high | 86.4 | Confident | 72 Ų | 72 | 62.4 Ų | 62.4 | 38% | 0.377 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 108.4 | 177.8 | -54 | 178.1 | 0 | 0 | 0 | 109.3 | Y37 V104 L105 K106 L107 | L31-Y37 HydrophobicContact CD2-CD2 3.96Å; L31-V104 HydrophobicContact CD1-CG1 3.95Å; L31-V104 HydrophobicContact CG-CG1 4.18Å; L31-L105 PolarHBondContact N-O 3.03Å; L31-K106 HydrophobicContact CB-CB 4.24Å; L31-K106 HydrophobicContact CB-CG 4.14Å; L31-L107 PolarHBondContact O-N 3.19Å |
| 32 | L | 95.3 | Very high | 88.8 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.058 | 31% | 0.309 | C | S | . | . | trans | -85.7 | 151.6 | -178.2 | -64.2 | 174.7 | 0 | 0 | 0 | 112.1 | T34 G35 I36 I38 L55 A59 L68 L107 | L32-T34 PolarHBondContact O-N 3.15Å; L32-T34 VanDerWaalsContact O-N 3.1Å; L32-G35 PolarHBondContact O-N 2.75Å; L32-I36 HydrophobicContact CB-CB 4.23Å; L32-I36 WeakPolarHBondContact CB-O 3.38Å; L32-I36 HydrophobicContact CD1-CB 3.91Å; L32-I36 HydrophobicContact CD1-CG2 3.93Å; L32-I36 PolarHBondContact N-O 2.9Å; L32-I38 HydrophobicContact CD1-CD1 3.62Å; L32-I38 HydrophobicContact CD1-CG1 4.13Å; L32-L55 HydrophobicContact CD2-CD1 4.45Å; L32-L55 HydrophobicContact CD2-CD2 3.99Å; L32-L55 HydrophobicContact CD2-CG 4.44Å; L32-A59 HydrophobicContact CD1-CB 4.32Å; L32-L68 HydrophobicContact CB-CD2 4.28Å; L32-L68 HydrophobicContact CD1-CD1 4.14Å; L32-L68 HydrophobicContact CD2-CD1 4.36Å; L32-L68 HydrophobicContact CD2-CD2 4.42Å; L32-L107 HydrophobicContact CD2-CB 4.13Å; L32-L107 HydrophobicContact CD2-CD2 3.48Å; L32-L107 VanDerWaalsContact CD2-CD2 3.48Å; L32-L107 HydrophobicContact CD2-CG 4.45Å | ||
| 33 | P | 91.4 | Very high | 90.7 | Very high | 71 Ų | 71 | 54.8 Ų | 54.8 | 46% | 0.461 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -25.3 | 177.2 | -24 | 31.1 | 0 | 0 | 0 | 114.4 | G35 L68 L107 | P33-G35 PolarHBondContact O-N 3.1Å; P33-L68 HydrophobicContact CG-CD2 4.38Å; P33-L107 WeakPolarHBondContact CD-O 3.31Å; P33-L107 HydrophobicContact CG-CD2 4.46Å; P33-L107 WeakPolarHBondContact CG-O 3.42Å |
| 34 | T | 92.1 | Very high | 92 | Very high | 38 Ų | 38 | 52.7 Ų | 52.7 | 23% | 0.233 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -2.8 | 176.3 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | L32 L64 L68 | L32-T34 PolarHBondContact O-N 3.15Å; L32-T34 VanDerWaalsContact O-N 3.1Å; T34-L64 HydrophobicContact CG2-CB 4.06Å; T34-L68 HydrophobicContact CG2-CD2 3.83Å; T34-L68 HydrophobicContact CG2-CG 4.23Å |
| 35 | G | 91.8 | Very high | 92.7 | Very high | 72 Ų | 72 | 49.6 Ų | 49.6 | 74% | 0.742 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 85.5 | 6.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | L32 P33 | L32-G35 PolarHBondContact O-N 2.75Å; P33-G35 PolarHBondContact O-N 3.1Å |
| 36 | I | 95.4 | Very high | 93 | Very high | 26 Ų | 26 | 44.9 Ų | 44.9 | 13% | 0.133 | 25% | 0.25 | C | C | . | . | trans | -83.6 | 134.9 | -178.9 | -64.3 | 175.9 | 0 | 0 | 0 | 110.4 | L32 I38 F62 P63 L64 | L32-I36 HydrophobicContact CB-CB 4.23Å; L32-I36 WeakPolarHBondContact CB-O 3.38Å; L32-I36 HydrophobicContact CD1-CB 3.91Å; L32-I36 HydrophobicContact CD1-CG2 3.93Å; L32-I36 PolarHBondContact N-O 2.9Å; I36-I38 HydrophobicContact CG2-CD1 4.44Å; I36-I38 HydrophobicContact CG2-CG1 3.97Å; I36-F62 HydrophobicContact CD1-CB 4.43Å; I36-F62 HydrophobicContact CG2-CB 4.13Å; I36-F62 HydrophobicContact CG2-CD1 3.82Å; I36-F62 HydrophobicContact CG2-CG 4.22Å; I36-P63 HydrophobicContact CD1-CB 4.4Å; I36-P63 WeakPolarHBondContact CD1-O 3.36Å; I36-L64 HydrophobicContact CD1-CB 4.03Å; I36-L64 HydrophobicContact CD1-CD1 4.45Å; I36-L64 HydrophobicContact CD1-CG 4.48Å | ||
| 37 | Y | 96.4 | Very high | 93.2 | Very high | 113 Ų | 113 | 45.9 Ų | 45.9 | 44% | 0.443 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.5 | 173.9 | 167.4 | -94.5 | 0 | 0 | 0 | 109.8 | D29 F30 L31 Q39 | D29-Y37 HydrophobicContact CB-CE2 3.77Å; D29-Y37 PolarHBondContact OD1-OH 2.79Å; D29-Y37 VanDerWaalsContact OD1-OH 3.06Å; F30-Y37 WeakPolarHBondContact O-CA 3.34Å; L31-Y37 HydrophobicContact CD2-CD2 3.96Å; Y37-Q39 HydrophobicContact CE1-CB 4.07Å; Y37-Q39 PolarHBondContact OH-NE2 3.17Å; Y37-Q39 PolarHBondContact OH-OE1 3.06Å |
| 38 | I | 96.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 133.7 | 174.9 | -55.5 | -177.1 | 0 | 0 | 0 | 108.2 | F30 L32 I36 M40 L55 Q58 A59 F62 | F30-I38 WeakPolarHBondContact CA-O 3.26Å; F30-I38 HydrophobicContact CB-CB 4.31Å; F30-I38 WeakPolarHBondContact CB-O 3.49Å; F30-I38 PolarHBondContact N-O 3.17Å; F30-I38 PolarHBondContact O-N 3.31Å; L32-I38 HydrophobicContact CD1-CD1 3.62Å; L32-I38 HydrophobicContact CD1-CG1 4.13Å; I36-I38 HydrophobicContact CG2-CD1 4.44Å; I36-I38 HydrophobicContact CG2-CG1 3.97Å; I38-M40 HydrophobicContact CB-CE 4.48Å; I38-M40 HydrophobicContact CG2-CE 3.47Å; I38-M40 VanDerWaalsContact CG2-CE 3.47Å; I38-L55 HydrophobicContact CB-CD1 4.38Å; I38-L55 HydrophobicContact CD1-CD1 4.1Å; I38-L55 HydrophobicContact CG2-CD1 4.5Å; I38-Q58 HydrophobicContact CG2-CG 3.92Å; I38-A59 HydrophobicContact CD1-CB 3.88Å; I38-F62 HydrophobicContact CB-CZ 4.48Å; I38-F62 HydrophobicContact CD1-CD1 4.4Å; I38-F62 HydrophobicContact CD1-CD2 3.66Å; I38-F62 HydrophobicContact CD1-CE2 3.91Å; I38-F62 HydrophobicContact CD1-CG 3.94Å; I38-F62 HydrophobicContact CD1-CZ 4.37Å; I38-F62 HydrophobicContact CG1-CD1 4.1Å; I38-F62 HydrophobicContact CG1-CD2 4.11Å; I38-F62 HydrophobicContact CG1-CE1 4Å; I38-F62 HydrophobicContact CG1-CE2 4.03Å; I38-F62 HydrophobicContact CG1-CG 4.16Å; I38-F62 HydrophobicContact CG1-CZ 3.97Å; I38-F62 HydrophobicContact CG2-CE2 4.12Å; I38-F62 HydrophobicContact CG2-CZ 4.1Å |
| 39 | Q | 96.6 | Very high | 93.3 | Very high | 107 Ų | 107 | 48.2 Ų | 48.2 | 50% | 0.5 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.9 | 174.1 | -173.1 | 170.1 | 45.2 | 0 | 0 | 109.1 | T27 V28 D29 Y37 | T27-Q39 HydrophobicContact CG2-CG 3.38Å; V28-Q39 WeakPolarHBondContact O-CA 3.24Å; D29-Q39 WeakPolarHBondContact OD1-CG 3.37Å; D29-Q39 PolarHBondContact OD1-NE2 3.34Å; Y37-Q39 HydrophobicContact CE1-CB 4.07Å; Y37-Q39 PolarHBondContact OH-NE2 3.17Å; Y37-Q39 PolarHBondContact OH-OE1 3.06Å |
| 40 | M | 95.3 | Very high | 93.2 | Very high | 28 Ų | 28 | 50.3 Ų | 50.3 | 14% | 0.138 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 153.3 | 176.2 | 66.9 | -174.8 | 79.9 | 0 | 0 | 112.3 | V28 F30 I38 V42 L54 L55 Q58 | V28-M40 PolarHBondContact N-O 3.11Å; V28-M40 PolarHBondContact O-N 3.47Å; V28-M40 VanDerWaalsContact O-N 3.1Å; F30-M40 HydrophobicContact CD2-CE 3.93Å; F30-M40 HydrophobicContact CD2-CG 3.97Å; F30-M40 HydrophobicContact CD2-SD 4.44Å; F30-M40 HydrophobicContact CE2-CE 4.07Å; F30-M40 HydrophobicContact CE2-CG 3.41Å; F30-M40 VanDerWaalsContact CE2-CG 3.41Å; F30-M40 HydrophobicContact CE2-SD 3.97Å; F30-M40 HydrophobicContact CZ-CG 4.31Å; I38-M40 HydrophobicContact CB-CE 4.48Å; I38-M40 HydrophobicContact CG2-CE 3.47Å; I38-M40 VanDerWaalsContact CG2-CE 3.47Å; M40-V42 HydrophobicContact CG-CG1 4Å; M40-V42 HydrophobicContact SD-CG1 4.45Å; M40-L54 HydrophobicContact SD-CB 4.4Å; M40-L55 HydrophobicContact CE-CB 4.38Å; M40-L55 HydrophobicContact CE-CD1 3.59Å; M40-Q58 HydrophobicContact CE-CB 3.61Å; M40-Q58 HydrophobicContact CE-CG 3.74Å; M40-Q58 HydrophobicContact SD-CB 4.42Å |
| 41 | D | 93.9 | Very high | 93.1 | Very high | 89 Ų | 89 | 50.3 Ų | 50.3 | 48% | 0.476 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 127.6 | 173.1 | -63.8 | -35.1 | 0 | 0 | 0 | 110.4 | Q25 I26 T27 | Q25-D41 HydrophobicContact CB-CB 4.32Å; I26-D41 WeakPolarHBondContact O-CA 3.35Å; T27-D41 VanDerWaalsContact CA-OD1 3.28Å; T27-D41 WeakPolarHBondContact CA-OD1 3.48Å; T27-D41 VanDerWaalsContact CB-OD1 3.3Å; T27-D41 WeakPolarHBondContact CB-OD1 3.12Å; T27-D41 PolarHBondContact OG1-OD1 3.35Å |
| 42 | V | 92.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 147 | 177.5 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | Q25 I26 V28 F30 M40 R44 I51 L95 | Q25-V42 CarbonylContact C-O 3.41Å; Q25-V42 VanDerWaalsContact CA-O 3.29Å; Q25-V42 WeakPolarHBondContact CA-O 3.39Å; I26-V42 HydrophobicContact CG2-CG2 3.98Å; I26-V42 PolarHBondContact N-O 3.34Å; I26-V42 PolarHBondContact O-N 2.95Å; V28-V42 HydrophobicContact CB-CG2 4.12Å; V28-V42 HydrophobicContact CG2-CG2 3.42Å; V28-V42 VanDerWaalsContact CG2-CG2 3.42Å; F30-V42 HydrophobicContact CE2-CG1 4.32Å; F30-V42 HydrophobicContact CZ-CG1 4.07Å; M40-V42 HydrophobicContact CG-CG1 4Å; M40-V42 HydrophobicContact SD-CG1 4.45Å; V42-R44 PolarHBondContact O-N 3.39Å; V42-I51 HydrophobicContact CB-CG1 4.21Å; V42-I51 HydrophobicContact CG1-CG1 4.42Å; V42-I51 HydrophobicContact CG1-CG2 4.29Å; V42-I51 HydrophobicContact CG2-CD1 4.24Å; V42-I51 HydrophobicContact CG2-CG1 4.41Å; V42-L95 HydrophobicContact CG2-CD2 3.66Å |
| 43 | P | 89.7 | Confident | 93.2 | Very high | 47 Ų | 47 | 49.9 Ų | 49.9 | 31% | 0.305 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 134.9 | 174.6 | -17.9 | 29.7 | 0 | 0 | 0 | 110.9 | D24 E45 A46 | D24-P43 CarbonylContact O-C 3.55Å; D24-P43 WeakPolarHBondContact O-CA 3.29Å; P43-E45 PolarHBondContact O-N 3.33Å; P43-A46 HydrophobicContact CB-CB 3.97Å; P43-A46 HydrophobicContact CG-CB 4.2Å; P43-A46 VanDerWaalsContact O-CB 3.22Å; P43-A46 WeakPolarHBondContact O-CB 3.36Å; P43-A46 PolarHBondContact O-N 3.27Å |
| 44 | R | 84 | Confident | 93.4 | Very high | 49 Ų | 49 | 48.9 Ų | 48.9 | 19% | 0.185 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -34.8 | -179.1 | 174 | 170.3 | 171.9 | -104.6 | 0.5 | 113 | W12 D24 V42 C96 | W12-R44 PolarHBondContact O-NH2 3.2Å; D24-R44 PolarHBondContact O-N 2.74Å; V42-R44 PolarHBondContact O-N 3.39Å; R44-C96 HydrophobicContact CG-CB 3.73Å; R44-C96 WeakPolarHBondContact O-CB 3.48Å; R44-C96 PolarHBondContact O-N 3.12Å; R44-C96 VanDerWaalsContact O-N 3.16Å |
| 45 | E | 82.8 | Confident | 93.6 | Very high | 80 Ų | 80 | 47 Ų | 47 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 5.5 | 179.3 | -57.8 | -60.8 | 136.8 | 0 | 0 | 112.8 | P43 R94 C96 | P43-E45 PolarHBondContact O-N 3.33Å; E45-R94 WeakPolarHBondContact O-CG 3.37Å; E45-C96 PolarHBondContact OE1-SG 2.8Å; E45-C96 PolarHBondContact OE2-SG 3.27Å |
| 46 | A | 89.8 | Confident | 93.8 | Very high | 10 Ų | 10 | 45 Ų | 45 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | trans | -66.8 | 141.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P43 H50 I51 R94 L95 | P43-A46 HydrophobicContact CB-CB 3.97Å; P43-A46 HydrophobicContact CG-CB 4.2Å; P43-A46 VanDerWaalsContact O-CB 3.22Å; P43-A46 WeakPolarHBondContact O-CB 3.36Å; P43-A46 PolarHBondContact O-N 3.27Å; A46-H50 HydrophobicContact CB-CB 4.49Å; A46-I51 HydrophobicContact CB-CD1 4.11Å; A46-I51 HydrophobicContact CB-CG1 3.81Å; A46-R94 WeakPolarHBondContact O-CA 3.4Å; A46-L95 PolarHBondContact O-N 2.84Å; A46-L95 VanDerWaalsContact O-N 3.09Å | ||
| 47 | T | 92.9 | Very high | 93.8 | Very high | 48 Ų | 48 | 49.5 Ų | 49.5 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | B | Isolated β-bridge | trans | -67.1 | 150.7 | 170.4 | 63.5 | 0 | 0 | 0 | 0 | 110.3 | Q49 H50 I51 T92 R93 | T47-Q49 PolarHBondContact O-N 3.29Å; T47-H50 WeakPolarHBondContact O-CB 3.38Å; T47-H50 PolarHBondContact O-N 3.03Å; T47-H50 WeakPolarHBondContact OG1-CB 3.29Å; T47-H50 PolarHBondContact OG1-N 2.92Å; T47-I51 WeakPolarHBondContact O-CG1 3.42Å; T47-I51 PolarHBondContact O-N 2.82Å; T47-T92 VanDerWaalsContact CG2-O 3.32Å; T47-T92 WeakPolarHBondContact CG2-O 3.29Å; T47-R93 CarbonylContact C-O 3.49Å; T47-R93 VanDerWaalsContact CA-O 3.26Å; T47-R93 WeakPolarHBondContact CA-O 3.42Å |
| 48 | I | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.1 | -35.5 | 175.9 | -65 | -53.7 | 0 | 0 | 0 | 110.7 | I51 K52 F76 L88 E91 R93 L95 V98 | I48-I51 HydrophobicContact CD1-CD1 4.29Å; I48-I51 PolarHBondContact O-N 2.84Å; I48-K52 WeakPolarHBondContact O-CB 3.21Å; I48-K52 PolarHBondContact O-N 2.99Å; I48-F76 HydrophobicContact CG2-CB 4.45Å; I48-F76 HydrophobicContact CG2-CD2 3.6Å; I48-F76 HydrophobicContact CG2-CE2 4.37Å; I48-L88 HydrophobicContact CD1-CD1 3.93Å; I48-L88 HydrophobicContact CG1-CD1 4.14Å; I48-L88 HydrophobicContact CG2-CB 4.31Å; I48-L88 HydrophobicContact CG2-CD1 4.36Å; I48-E91 HydrophobicContact CB-CB 4.44Å; I48-E91 HydrophobicContact CG2-CB 4.38Å; I48-E91 HydrophobicContact CG2-CG 4.26Å; I48-E91 PolarHBondContact N-O 3.26Å; I48-R93 WeakPolarHBondContact CG1-O 3.34Å; I48-R93 PolarHBondContact N-O 3.47Å; I48-L95 HydrophobicContact CD1-CD1 4.37Å; I48-V98 HydrophobicContact CD1-CG2 4.16Å; I48-V98 HydrophobicContact CG1-CG2 4.17Å |
| 49 | Q | 95.3 | Very high | 93.6 | Very high | 111 Ų | 111 | 48 Ų | 48 | 52% | 0.519 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 173.4 | -168.6 | -178.4 | 20.1 | 0 | 0 | 112 | T47 K52 L53 E91 | T47-Q49 PolarHBondContact O-N 3.29Å; Q49-K52 PolarHBondContact O-N 2.92Å; Q49-L53 PolarHBondContact O-N 3.08Å; Q49-E91 HydrophobicContact CB-CB 3.81Å; Q49-E91 WeakPolarHBondContact CB-O 3.43Å; Q49-E91 PolarHBondContact N-O 2.93Å |
| 50 | H | 94.9 | Very high | 93.5 | Very high | 82 Ų | 82 | 47.5 Ų | 47.5 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 177.9 | -175.2 | 68.3 | 0 | 0 | 0 | 111.4 | A46 T47 K52 L53 L54 | A46-H50 HydrophobicContact CB-CB 4.49Å; T47-H50 WeakPolarHBondContact O-CB 3.38Å; T47-H50 PolarHBondContact O-N 3.03Å; T47-H50 WeakPolarHBondContact OG1-CB 3.29Å; T47-H50 PolarHBondContact OG1-N 2.92Å; H50-K52 VanDerWaalsContact C-N 3.31Å; H50-K52 PolarHBondContact O-N 2.9Å; H50-L53 WeakPolarHBondContact O-CB 3.24Å; H50-L53 PolarHBondContact O-N 3.45Å; H50-L54 WeakPolarHBondContact O-CG 3.37Å; H50-L54 PolarHBondContact O-N 3.35Å |
| 51 | I | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 175 | -68 | 167.8 | 0 | 0 | 0 | 110.8 | F30 V42 A46 T47 I48 L53 L54 L55 F76 L95 L105 | F30-I51 HydrophobicContact CE1-CG2 3.54Å; F30-I51 HydrophobicContact CZ-CG2 3.51Å; V42-I51 HydrophobicContact CB-CG1 4.21Å; V42-I51 HydrophobicContact CG1-CG1 4.42Å; V42-I51 HydrophobicContact CG1-CG2 4.29Å; V42-I51 HydrophobicContact CG2-CD1 4.24Å; V42-I51 HydrophobicContact CG2-CG1 4.41Å; A46-I51 HydrophobicContact CB-CD1 4.11Å; A46-I51 HydrophobicContact CB-CG1 3.81Å; T47-I51 WeakPolarHBondContact O-CG1 3.42Å; T47-I51 PolarHBondContact O-N 2.82Å; I48-I51 HydrophobicContact CD1-CD1 4.29Å; I48-I51 PolarHBondContact O-N 2.84Å; I51-L53 VanDerWaalsContact C-N 3.32Å; I51-L53 PolarHBondContact O-N 3.15Å; I51-L54 PolarHBondContact O-N 3.23Å; I51-L55 WeakPolarHBondContact O-CB 3.3Å; I51-L55 PolarHBondContact O-N 2.77Å; I51-F76 HydrophobicContact CG2-CE2 4.13Å; I51-F76 HydrophobicContact CG2-CZ 4.31Å; I51-L95 HydrophobicContact CD1-CB 3.76Å; I51-L95 HydrophobicContact CD1-CD1 4.49Å; I51-L95 HydrophobicContact CD1-CD2 4.03Å; I51-L95 HydrophobicContact CD1-CG 4.31Å; I51-L105 HydrophobicContact CG2-CD1 4.07Å |
| 52 | K | 96.3 | Very high | 93.6 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 2% | 0.022 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 177.1 | -162 | 172.7 | 59.1 | 167 | 0 | 111.9 | I48 Q49 H50 L55 W56 M71 H74 F76 E91 | I48-K52 WeakPolarHBondContact O-CB 3.21Å; I48-K52 PolarHBondContact O-N 2.99Å; Q49-K52 PolarHBondContact O-N 2.92Å; H50-K52 VanDerWaalsContact C-N 3.31Å; H50-K52 PolarHBondContact O-N 2.9Å; K52-L55 PolarHBondContact O-N 2.8Å; K52-W56 HydrophobicContact CD-CZ3 4.33Å; K52-W56 HydrophobicContact CG-CE3 3.95Å; K52-W56 HydrophobicContact CG-CZ3 3.94Å; K52-W56 PolarHBondContact O-N 3.5Å; K52-M71 HydrophobicContact CD-CG 3.98Å; K52-M71 HydrophobicContact CG-CG 3.93Å; K52-M71 HydrophobicContact CG-SD 4.27Å; K52-M71 PolarHBondContact NZ-O 2.9Å; K52-M71 VanDerWaalsContact NZ-O 3.08Å; K52-H74 PolarHBondContact NZ-O 3.47Å; K52-F76 HydrophobicContact CB-CD2 4.4Å; K52-F76 HydrophobicContact CB-CE2 3.57Å; K52-F76 HydrophobicContact CB-CZ 4.18Å; K52-F76 HydrophobicContact CD-CE2 4.5Å; K52-F76 HydrophobicContact CG-CE2 3.9Å; K52-F76 HydrophobicContact CG-CZ 4.2Å; K52-E91 WeakPolarHBondContact CE-OE1 3.31Å; K52-E91 WeakPolarHBondContact CE-OE2 3.48Å; K52-E91 IonicContact NZ-OE1 2.78Å; K52-E91 PolarHBondContact NZ-OE1 3.41Å; K52-E91 IonicContact NZ-OE2 3.36Å; K52-E91 PolarHBondContact NZ-OE2 2.94Å |
| 53 | L | 96.4 | Very high | 93.5 | Very high | 70 Ų | 70 | 57.9 Ų | 57.9 | 37% | 0.366 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175 | -176.7 | 70.2 | 0 | 0 | 0 | 112.1 | Q49 H50 I51 L55 W56 K57 M71 | Q49-L53 PolarHBondContact O-N 3.08Å; H50-L53 WeakPolarHBondContact O-CB 3.24Å; H50-L53 PolarHBondContact O-N 3.45Å; I51-L53 VanDerWaalsContact C-N 3.32Å; I51-L53 PolarHBondContact O-N 3.15Å; L53-L55 VanDerWaalsContact C-N 3.34Å; L53-W56 PolarHBondContact O-N 3.14Å; L53-K57 WeakPolarHBondContact O-CG 2.98Å; L53-K57 PolarHBondContact O-N 2.89Å; L53-K57 VanDerWaalsContact O-N 3.13Å; L53-M71 HydrophobicContact CD1-CE 4.48Å; L53-M71 HydrophobicContact CD1-SD 4.32Å |
| 54 | L | 95.9 | Very high | 93.7 | Very high | 49 Ų | 49 | 60.2 Ų | 60.2 | 26% | 0.257 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 174.4 | -67.4 | 175.8 | 0 | 0 | 0 | 110.9 | M40 H50 I51 W56 K57 Q58 | M40-L54 HydrophobicContact SD-CB 4.4Å; H50-L54 WeakPolarHBondContact O-CG 3.37Å; H50-L54 PolarHBondContact O-N 3.35Å; I51-L54 PolarHBondContact O-N 3.23Å; L54-W56 PolarHBondContact O-N 3.35Å; L54-K57 PolarHBondContact O-N 2.79Å; L54-Q58 PolarHBondContact O-N 3.1Å |
| 55 | L | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.2 | -46 | 176.1 | 178.3 | 64.1 | 0 | 0 | 0 | 111.8 | F30 L32 I38 M40 I51 K52 L53 K57 Q58 A59 F76 | F30-L55 HydrophobicContact CB-CD1 3.68Å; F30-L55 HydrophobicContact CB-CD2 4.25Å; F30-L55 HydrophobicContact CD1-CD1 3.99Å; F30-L55 HydrophobicContact CD1-CD2 3.67Å; F30-L55 HydrophobicContact CD1-CG 4.27Å; F30-L55 HydrophobicContact CD2-CD1 4.16Å; F30-L55 HydrophobicContact CE1-CD2 4.31Å; F30-L55 HydrophobicContact CG-CD1 3.66Å; F30-L55 HydrophobicContact CG-CD2 4.15Å; F30-L55 HydrophobicContact CG-CG 4.43Å; L32-L55 HydrophobicContact CD2-CD1 4.45Å; L32-L55 HydrophobicContact CD2-CD2 3.99Å; L32-L55 HydrophobicContact CD2-CG 4.44Å; I38-L55 HydrophobicContact CB-CD1 4.38Å; I38-L55 HydrophobicContact CD1-CD1 4.1Å; I38-L55 HydrophobicContact CG2-CD1 4.5Å; M40-L55 HydrophobicContact CE-CB 4.38Å; M40-L55 HydrophobicContact CE-CD1 3.59Å; I51-L55 WeakPolarHBondContact O-CB 3.3Å; I51-L55 PolarHBondContact O-N 2.77Å; K52-L55 PolarHBondContact O-N 2.8Å; L53-L55 VanDerWaalsContact C-N 3.34Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 2.82Å; L55-Q58 PolarHBondContact O-N 3.15Å; L55-Q58 VanDerWaalsContact O-N 3.12Å; L55-A59 VanDerWaalsContact O-CB 3.25Å; L55-A59 WeakPolarHBondContact O-CB 3.33Å; L55-A59 PolarHBondContact O-N 3.16Å; L55-F76 HydrophobicContact CB-CZ 4.37Å; L55-F76 HydrophobicContact CD2-CE1 3.51Å; L55-F76 HydrophobicContact CD2-CZ 3.5Å |
| 56 | W | 96.3 | Very high | 94.6 | Very high | 29 Ų | 29 | 62.3 Ų | 62.3 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | -179.9 | -118.5 | -103.2 | 0 | 0 | 0 | 112.4 | K52 L53 L54 Q58 A59 Q60 L68 M71 H74 L107 | K52-W56 HydrophobicContact CD-CZ3 4.33Å; K52-W56 HydrophobicContact CG-CE3 3.95Å; K52-W56 HydrophobicContact CG-CZ3 3.94Å; K52-W56 PolarHBondContact O-N 3.5Å; L53-W56 PolarHBondContact O-N 3.14Å; L54-W56 PolarHBondContact O-N 3.35Å; W56-Q58 VanDerWaalsContact C-N 3.26Å; W56-Q58 PolarHBondContact O-N 2.82Å; W56-A59 PolarHBondContact O-N 2.94Å; W56-Q60 PolarHBondContact O-N 2.89Å; W56-L68 HydrophobicContact CZ2-CB 4.43Å; W56-M71 HydrophobicContact CB-SD 4.2Å; W56-M71 HydrophobicContact CD2-CB 3.66Å; W56-M71 HydrophobicContact CD2-CG 3.6Å; W56-M71 HydrophobicContact CD2-SD 4.35Å; W56-M71 VanDerWaalsContact CE2-CA 3.44Å; W56-M71 HydrophobicContact CE3-CB 4.18Å; W56-M71 HydrophobicContact CE3-CG 3.67Å; W56-M71 HydrophobicContact CE3-SD 4.47Å; W56-M71 HydrophobicContact CG-CB 3.95Å; W56-M71 HydrophobicContact CG-CG 4Å; W56-M71 HydrophobicContact CG-SD 4.22Å; W56-M71 HydrophobicContact CH2-CB 4.42Å; W56-M71 HydrophobicContact CH2-CG 4.42Å; W56-M71 HydrophobicContact CZ2-CB 4.01Å; W56-M71 HydrophobicContact CZ2-CG 4.44Å; W56-M71 HydrophobicContact CZ3-CG 4.07Å; W56-H74 HydrophobicContact CH2-CB 3.75Å; W56-H74 AromaticContact CH2-CG 3.66Å; W56-H74 AromaticContact CH2-ND1 3.7Å; W56-H74 AromaticContact CZ2-ND1 3.98Å; W56-H74 HydrophobicContact CZ3-CB 4.34Å; W56-L107 HydrophobicContact CH2-CD1 4.22Å; W56-L107 HydrophobicContact CH2-CD2 3.51Å; W56-L107 HydrophobicContact CH2-CG 4.39Å; W56-L107 HydrophobicContact CZ3-CD1 3.76Å; W56-L107 HydrophobicContact CZ3-CD2 3.51Å; W56-L107 HydrophobicContact CZ3-CG 4.26Å |
| 57 | K | 94.9 | Very high | 94.7 | Very high | 121 Ų | 121 | 66 Ų | 66 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.7 | -31.8 | 174.5 | -73.8 | 179.1 | 179.5 | -179.7 | 0 | 112.7 | L53 L54 L55 Q60 Y61 | L53-K57 WeakPolarHBondContact O-CG 2.98Å; L53-K57 PolarHBondContact O-N 2.89Å; L53-K57 VanDerWaalsContact O-N 3.13Å; L54-K57 PolarHBondContact O-N 2.79Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 2.82Å; K57-Q60 VanDerWaalsContact O-CG 3.26Å; K57-Q60 WeakPolarHBondContact O-CG 3.33Å; K57-Q60 PolarHBondContact O-NE2 2.98Å; K57-Y61 WeakPolarHBondContact O-CE2 3.23Å |
| 58 | Q | 94.9 | Very high | 94.5 | Very high | 81 Ų | 81 | 64 Ų | 64 | 38% | 0.379 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -82.6 | -39.9 | 178.1 | -169.5 | 63.4 | 8.7 | 0 | 0 | 111.8 | I38 M40 L54 L55 W56 Q60 Y61 F62 | I38-Q58 HydrophobicContact CG2-CG 3.92Å; M40-Q58 HydrophobicContact CE-CB 3.61Å; M40-Q58 HydrophobicContact CE-CG 3.74Å; M40-Q58 HydrophobicContact SD-CB 4.42Å; L54-Q58 PolarHBondContact O-N 3.1Å; L55-Q58 PolarHBondContact O-N 3.15Å; L55-Q58 VanDerWaalsContact O-N 3.12Å; W56-Q58 VanDerWaalsContact C-N 3.26Å; W56-Q58 PolarHBondContact O-N 2.82Å; Q58-Q60 PolarHBondContact O-N 3.05Å; Q58-Y61 WeakPolarHBondContact O-CD2 3.5Å; Q58-Y61 PolarHBondContact O-N 3.22Å; Q58-Y61 VanDerWaalsContact O-N 3.16Å; Q58-F62 HydrophobicContact CG-CE2 4.14Å; Q58-F62 WeakPolarHBondContact O-CD2 3.35Å |
| 59 | A | 94.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -25.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | L32 I38 L55 W56 Y61 F62 F65 L68 | L32-A59 HydrophobicContact CD1-CB 4.32Å; I38-A59 HydrophobicContact CD1-CB 3.88Å; L55-A59 VanDerWaalsContact O-CB 3.25Å; L55-A59 WeakPolarHBondContact O-CB 3.33Å; L55-A59 PolarHBondContact O-N 3.16Å; W56-A59 PolarHBondContact O-N 2.94Å; A59-Y61 PolarHBondContact O-N 2.92Å; A59-Y61 VanDerWaalsContact O-N 3.09Å; A59-F62 PolarHBondContact O-N 3.4Å; A59-F65 HydrophobicContact CB-CD2 3.78Å; A59-F65 HydrophobicContact CB-CE2 4.01Å; A59-F65 WeakPolarHBondContact O-CB 3.5Å; A59-F65 WeakPolarHBondContact O-CD2 3.45Å; A59-L68 HydrophobicContact CB-CD1 4.24Å |
| 60 | Q | 94.9 | Very high | 94 | Very high | 98 Ų | 98 | 67.8 Ų | 67.8 | 46% | 0.458 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.9 | 176.1 | 76.2 | -172.6 | -34.2 | 0 | 0 | 114 | W56 K57 Q58 F65 | W56-Q60 PolarHBondContact O-N 2.89Å; K57-Q60 VanDerWaalsContact O-CG 3.26Å; K57-Q60 WeakPolarHBondContact O-CG 3.33Å; K57-Q60 PolarHBondContact O-NE2 2.98Å; Q58-Q60 PolarHBondContact O-N 3.05Å; Q60-F65 HydrophobicContact CB-CD1 4.23Å; Q60-F65 HydrophobicContact CB-CD2 4.39Å; Q60-F65 HydrophobicContact CB-CE1 4.02Å; Q60-F65 HydrophobicContact CB-CE2 4.2Å; Q60-F65 HydrophobicContact CB-CG 4.41Å; Q60-F65 HydrophobicContact CB-CZ 4.01Å |
| 61 | Y | 95.2 | Very high | 93.9 | Very high | 174 Ų | 174 | 65.4 Ų | 65.4 | 68% | 0.682 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -1.1 | 178.4 | -58.9 | -70 | 0 | 0 | 0 | 113.4 | K57 Q58 A59 | K57-Y61 WeakPolarHBondContact O-CE2 3.23Å; Q58-Y61 WeakPolarHBondContact O-CD2 3.5Å; Q58-Y61 PolarHBondContact O-N 3.22Å; Q58-Y61 VanDerWaalsContact O-N 3.16Å; A59-Y61 PolarHBondContact O-N 2.92Å; A59-Y61 VanDerWaalsContact O-N 3.09Å |
| 62 | F | 94.6 | Very high | 93.6 | Very high | 66 Ų | 66 | 71.1 Ų | 71.1 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -103.5 | 155.2 | -179.7 | -73 | -102.8 | 0 | 0 | 0 | 111.3 | I36 I38 Q58 A59 | I36-F62 HydrophobicContact CD1-CB 4.43Å; I36-F62 HydrophobicContact CG2-CB 4.13Å; I36-F62 HydrophobicContact CG2-CD1 3.82Å; I36-F62 HydrophobicContact CG2-CG 4.22Å; I38-F62 HydrophobicContact CB-CZ 4.48Å; I38-F62 HydrophobicContact CD1-CD1 4.4Å; I38-F62 HydrophobicContact CD1-CD2 3.66Å; I38-F62 HydrophobicContact CD1-CE2 3.91Å; I38-F62 HydrophobicContact CD1-CG 3.94Å; I38-F62 HydrophobicContact CD1-CZ 4.37Å; I38-F62 HydrophobicContact CG1-CD1 4.1Å; I38-F62 HydrophobicContact CG1-CD2 4.11Å; I38-F62 HydrophobicContact CG1-CE1 4Å; I38-F62 HydrophobicContact CG1-CE2 4.03Å; I38-F62 HydrophobicContact CG1-CG 4.16Å; I38-F62 HydrophobicContact CG1-CZ 3.97Å; I38-F62 HydrophobicContact CG2-CE2 4.12Å; I38-F62 HydrophobicContact CG2-CZ 4.1Å; Q58-F62 HydrophobicContact CG-CE2 4.14Å; Q58-F62 WeakPolarHBondContact O-CD2 3.35Å; A59-F62 PolarHBondContact O-N 3.4Å |
| 63 | P | 92.9 | Very high | 93.2 | Very high | 95 Ų | 95 | 73.1 Ų | 73.1 | 62% | 0.617 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 162.5 | 174.2 | -25.1 | 34.8 | 0 | 0 | 0 | 112.3 | I36 F65 | I36-P63 HydrophobicContact CD1-CB 4.4Å; I36-P63 WeakPolarHBondContact CD1-O 3.36Å; P63-F65 PolarHBondContact O-N 3.3Å |
| 64 | L | 93.4 | Very high | 93 | Very high | 96 Ų | 96 | 70.1 Ų | 70.1 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 7.7 | 173.1 | -49.8 | 174.6 | 0 | 0 | 0 | 116.2 | T34 I36 P66 S67 | T34-L64 HydrophobicContact CG2-CB 4.06Å; I36-L64 HydrophobicContact CD1-CB 4.03Å; I36-L64 HydrophobicContact CD1-CD1 4.45Å; I36-L64 HydrophobicContact CD1-CG 4.48Å; L64-P66 VanDerWaalsContact C-CD 3.42Å; L64-P66 VanDerWaalsContact C-N 3.33Å; L64-S67 WeakPolarHBondContact O-CA 3.31Å; L64-S67 VanDerWaalsContact O-CB 3.24Å; L64-S67 WeakPolarHBondContact O-CB 3.38Å; L64-S67 PolarHBondContact O-N 3.46Å |
| 65 | F | 92.8 | Very high | 92.8 | Very high | 56 Ų | 56 | 68.3 Ų | 68.3 | 25% | 0.246 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -51.1 | -42.3 | 176.6 | 175.5 | -101.9 | 0 | 0 | 0 | 113.9 | A59 Q60 P63 S67 L68 | A59-F65 HydrophobicContact CB-CD2 3.78Å; A59-F65 HydrophobicContact CB-CE2 4.01Å; A59-F65 WeakPolarHBondContact O-CB 3.5Å; A59-F65 WeakPolarHBondContact O-CD2 3.45Å; Q60-F65 HydrophobicContact CB-CD1 4.23Å; Q60-F65 HydrophobicContact CB-CD2 4.39Å; Q60-F65 HydrophobicContact CB-CE1 4.02Å; Q60-F65 HydrophobicContact CB-CE2 4.2Å; Q60-F65 HydrophobicContact CB-CG 4.41Å; Q60-F65 HydrophobicContact CB-CZ 4.01Å; P63-F65 PolarHBondContact O-N 3.3Å; F65-S67 PolarHBondContact O-N 2.79Å; F65-L68 HydrophobicContact CD2-CD1 3.85Å; F65-L68 HydrophobicContact CE2-CD1 4.41Å; F65-L68 WeakPolarHBondContact O-CB 3.32Å; F65-L68 PolarHBondContact O-N 3.2Å |
| 66 | P | 92.4 | Very high | 92.7 | Very high | 116 Ų | 116 | 68.3 Ų | 68.3 | 75% | 0.753 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -59.4 | -21.8 | 176.3 | -24.8 | 35.4 | 0 | 0 | 0 | 114.3 | L64 L68 | L64-P66 VanDerWaalsContact C-CD 3.42Å; L64-P66 VanDerWaalsContact C-N 3.33Å; P66-L68 VanDerWaalsContact C-N 3.31Å |
| 67 | S | 91.7 | Very high | 92.5 | Very high | 89 Ų | 89 | 68 Ų | 68 | 62% | 0.622 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -79.5 | -11.2 | 177.6 | -52.8 | 0 | 0 | 0 | 0 | 113.4 | L64 F65 | L64-S67 WeakPolarHBondContact O-CA 3.31Å; L64-S67 VanDerWaalsContact O-CB 3.24Å; L64-S67 WeakPolarHBondContact O-CB 3.38Å; L64-S67 PolarHBondContact O-N 3.46Å; F65-S67 PolarHBondContact O-N 2.79Å |
| 68 | L | 88.6 | Confident | 92.4 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -75.5 | -24.9 | 175.9 | -67.2 | 172.9 | 0 | 0 | 0 | 112.5 | L32 P33 T34 W56 A59 F65 P66 H74 | L32-L68 HydrophobicContact CB-CD2 4.28Å; L32-L68 HydrophobicContact CD1-CD1 4.14Å; L32-L68 HydrophobicContact CD2-CD1 4.36Å; L32-L68 HydrophobicContact CD2-CD2 4.42Å; P33-L68 HydrophobicContact CG-CD2 4.38Å; T34-L68 HydrophobicContact CG2-CD2 3.83Å; T34-L68 HydrophobicContact CG2-CG 4.23Å; W56-L68 HydrophobicContact CZ2-CB 4.43Å; A59-L68 HydrophobicContact CB-CD1 4.24Å; F65-L68 HydrophobicContact CD2-CD1 3.85Å; F65-L68 HydrophobicContact CE2-CD1 4.41Å; F65-L68 WeakPolarHBondContact O-CB 3.32Å; F65-L68 PolarHBondContact O-N 3.2Å; P66-L68 VanDerWaalsContact C-N 3.31Å; L68-H74 PolarHBondContact O-CE1 2.93Å |
| 69 | G | 90.1 | Very high | 92.2 | Very high | 49 Ų | 49 | 61.3 Ų | 61.3 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | trans | 65.7 | -149.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 70 | E | 91.1 | Very high | 91.8 | Very high | 140 Ų | 140 | 61.9 Ų | 61.9 | 65% | 0.654 | 34% | 0.336 | S | S | * | . | trans | -78.3 | 143.3 | -173.4 | -64.2 | -177.6 | 173 | 0 | 0 | 112.9 | E72 S73 H74 | E70-E72 VanDerWaalsContact C-N 3.28Å; E70-E72 PolarHBondContact O-N 3.24Å; E70-S73 PolarHBondContact O-N 3.14Å; E70-S73 PolarHBondContact O-OG 2.9Å; E70-H74 PolarHBondContact O-ND1 2.87Å | ||
| 71 | M | 92.1 | Very high | 91.2 | Very high | 32 Ų | 32 | 59.9 Ų | 59.9 | 16% | 0.158 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -62.1 | -36.4 | 179.2 | -176.7 | -177 | 66.3 | 0 | 0 | 112.8 | K52 L53 W56 S73 H74 | K52-M71 HydrophobicContact CD-CG 3.98Å; K52-M71 HydrophobicContact CG-CG 3.93Å; K52-M71 HydrophobicContact CG-SD 4.27Å; K52-M71 PolarHBondContact NZ-O 2.9Å; K52-M71 VanDerWaalsContact NZ-O 3.08Å; L53-M71 HydrophobicContact CD1-CE 4.48Å; L53-M71 HydrophobicContact CD1-SD 4.32Å; W56-M71 HydrophobicContact CB-SD 4.2Å; W56-M71 HydrophobicContact CD2-CB 3.66Å; W56-M71 HydrophobicContact CD2-CG 3.6Å; W56-M71 HydrophobicContact CD2-SD 4.35Å; W56-M71 VanDerWaalsContact CE2-CA 3.44Å; W56-M71 HydrophobicContact CE3-CB 4.18Å; W56-M71 HydrophobicContact CE3-CG 3.67Å; W56-M71 HydrophobicContact CE3-SD 4.47Å; W56-M71 HydrophobicContact CG-CB 3.95Å; W56-M71 HydrophobicContact CG-CG 4Å; W56-M71 HydrophobicContact CG-SD 4.22Å; W56-M71 HydrophobicContact CH2-CB 4.42Å; W56-M71 HydrophobicContact CH2-CG 4.42Å; W56-M71 HydrophobicContact CZ2-CB 4.01Å; W56-M71 HydrophobicContact CZ2-CG 4.44Å; W56-M71 HydrophobicContact CZ3-CG 4.07Å; M71-S73 PolarHBondContact O-N 3.19Å; M71-H74 PolarHBondContact O-N 3.09Å |
| 72 | E | 89.9 | Confident | 90.3 | Very high | 120 Ų | 120 | 52.9 Ų | 52.9 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -68.2 | -25.1 | -178.7 | -66.6 | 68.8 | -153.1 | 0 | 0 | 111.3 | E70 H74 R110 | E70-E72 VanDerWaalsContact C-N 3.28Å; E70-E72 PolarHBondContact O-N 3.24Å; E72-H74 PolarHBondContact O-N 3.34Å; E72-R110 VanDerWaalsContact O-CD 3.23Å; E72-R110 WeakPolarHBondContact O-CD 3.35Å |
| 73 | S | 88.9 | Confident | 89.7 | Confident | 48 Ų | 48 | 51 Ų | 51 | 34% | 0.336 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -78.7 | 1.8 | 176.9 | 73.6 | 0 | 0 | 0 | 0 | 113.7 | E70 M71 R110 | E70-S73 PolarHBondContact O-N 3.14Å; E70-S73 PolarHBondContact O-OG 2.9Å; M71-S73 PolarHBondContact O-N 3.19Å; S73-R110 WeakPolarHBondContact O-CB 3.43Å; S73-R110 PolarHBondContact O-N 3.47Å |
| 74 | H | 90.8 | Very high | 89.2 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.028 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 157.1 | -178.3 | -63.7 | 74.2 | 0 | 0 | 0 | 112.8 | K52 W56 L68 E70 M71 E72 L107 V108 T109 R110 | K52-H74 PolarHBondContact NZ-O 3.47Å; W56-H74 HydrophobicContact CH2-CB 3.75Å; W56-H74 AromaticContact CH2-CG 3.66Å; W56-H74 AromaticContact CH2-ND1 3.7Å; W56-H74 AromaticContact CZ2-ND1 3.98Å; W56-H74 HydrophobicContact CZ3-CB 4.34Å; L68-H74 PolarHBondContact O-CE1 2.93Å; E70-H74 PolarHBondContact O-ND1 2.87Å; M71-H74 PolarHBondContact O-N 3.09Å; E72-H74 PolarHBondContact O-N 3.34Å; H74-L107 HydrophobicContact CB-CD1 3.68Å; H74-L107 HydrophobicContact CB-CD2 4.29Å; H74-L107 HydrophobicContact CB-CG 3.96Å; H74-V108 VanDerWaalsContact CA-O 3.3Å; H74-V108 WeakPolarHBondContact CA-O 3.37Å; H74-T109 WeakPolarHBondContact NE2-CG2 3.49Å; H74-R110 PolarHBondContact O-NE 2.95Å |
| 75 | M | 91.9 | Very high | 88.8 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 5% | 0.054 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 167.4 | 170.4 | 66.5 | -174.2 | -177.8 | 0 | 0 | 109.5 | E87 V108 R110 L118 | M75-E87 HydrophobicContact CE-CB 3.91Å; M75-E87 HydrophobicContact CE-CG 4.03Å; M75-E87 VanDerWaalsContact CE-OE2 3.23Å; M75-E87 WeakPolarHBondContact CE-OE2 3.27Å; M75-V108 HydrophobicContact CE-CG2 4.01Å; M75-V108 HydrophobicContact CG-CG2 3.74Å; M75-V108 PolarHBondContact N-O 3.44Å; M75-V108 WeakPolarHBondContact O-CG2 3.37Å; M75-V108 PolarHBondContact O-N 3.32Å; M75-V108 VanDerWaalsContact O-O 3.12Å; M75-R110 HydrophobicContact CB-CG 4Å; M75-R110 HydrophobicContact CG-CG 4.03Å; M75-R110 HydrophobicContact SD-CG 4.18Å; M75-L118 HydrophobicContact CE-CD2 4.39Å |
| 76 | F | 95.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 153.1 | 174.9 | -72.1 | -63.7 | 0 | 0 | 0 | 112.2 | F30 I48 I51 K52 L55 L88 L105 K106 L107 | F30-F76 AromaticContact CD1-CE1 3.67Å; F30-F76 HydrophobicContact CD1-CE1 3.67Å; F30-F76 AromaticContact CD1-CZ 3.9Å; F30-F76 HydrophobicContact CD1-CZ 3.9Å; F30-F76 AromaticContact CE1-CE1 3.9Å; F30-F76 HydrophobicContact CE1-CE1 3.9Å; F30-F76 AromaticContact CE1-CZ 3.71Å; F30-F76 HydrophobicContact CE1-CZ 3.71Å; I48-F76 HydrophobicContact CG2-CB 4.45Å; I48-F76 HydrophobicContact CG2-CD2 3.6Å; I48-F76 HydrophobicContact CG2-CE2 4.37Å; I51-F76 HydrophobicContact CG2-CE2 4.13Å; I51-F76 HydrophobicContact CG2-CZ 4.31Å; K52-F76 HydrophobicContact CB-CD2 4.4Å; K52-F76 HydrophobicContact CB-CE2 3.57Å; K52-F76 HydrophobicContact CB-CZ 4.18Å; K52-F76 HydrophobicContact CD-CE2 4.5Å; K52-F76 HydrophobicContact CG-CE2 3.9Å; K52-F76 HydrophobicContact CG-CZ 4.2Å; L55-F76 HydrophobicContact CB-CZ 4.37Å; L55-F76 HydrophobicContact CD2-CE1 3.51Å; L55-F76 HydrophobicContact CD2-CZ 3.5Å; F76-L88 HydrophobicContact CB-CB 4.34Å; F76-L88 HydrophobicContact CB-CD1 3.95Å; F76-L88 HydrophobicContact CB-CG 4.49Å; F76-L88 WeakPolarHBondContact O-CB 3.32Å; F76-L88 PolarHBondContact O-N 3.47Å; F76-L105 HydrophobicContact CD1-CB 3.73Å; F76-L105 HydrophobicContact CD1-CD1 4.47Å; F76-L105 HydrophobicContact CD2-CD1 4.39Å; F76-L105 HydrophobicContact CE1-CB 4.09Å; F76-L105 HydrophobicContact CE2-CD1 4.49Å; F76-L105 HydrophobicContact CG-CB 4.21Å; F76-L105 HydrophobicContact CG-CD1 4.33Å; F76-K106 CarbonylContact C-O 3.56Å; F76-K106 WeakPolarHBondContact CA-O 3.43Å; F76-L107 HydrophobicContact CD1-CB 4.28Å; F76-L107 HydrophobicContact CD1-CD1 3.95Å; F76-L107 HydrophobicContact CE1-CB 4.19Å; F76-L107 HydrophobicContact CE1-CD1 3.77Å; F76-L107 HydrophobicContact CZ-CD1 4.31Å |
| 77 | E | 92.5 | Very high | 88.4 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 140.2 | 171.5 | -176.3 | -165 | 172.9 | 0 | 0 | 107.8 | H85 E86 E87 K106 V108 | E77-H85 IonicContact OE1-CE1 2.93Å; E77-H85 IonicContact OE1-CG 2.64Å; E77-H85 IonicContact OE1-ND1 3.16Å; E77-H85 PolarHBondContact OE1-ND1 2.99Å; E77-E86 WeakPolarHBondContact CA-O 3.33Å; E77-E87 HydrophobicContact CG-CG 4.41Å; E77-K106 HydrophobicContact CB-CB 4.43Å; E77-K106 PolarHBondContact N-O 2.72Å; E77-K106 PolarHBondContact O-N 2.86Å; E77-K106 IonicContact OE2-NZ 2.82Å; E77-K106 PolarHBondContact OE2-NZ 3.08Å; E77-V108 HydrophobicContact CB-CG1 4.1Å; E77-V108 HydrophobicContact CB-CG2 4.19Å; E77-V108 WeakPolarHBondContact OE2-CG1 3.38Å |
| 78 | C | 93 | Very high | 88.2 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.034 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 166.3 | 173.2 | 66.9 | 0 | 0 | 0 | 0 | 112.1 | H85 E86 V98 P100 L105 | C78-H85 WeakPolarHBondContact O-CA 3.46Å; C78-E86 PolarHBondContact N-O 2.86Å; C78-E86 PolarHBondContact O-N 3.28Å; C78-V98 VanDerWaalsContact SG-CG1 3.54Å; C78-P100 HydrophobicContact CB-CB 3.73Å; C78-L105 HydrophobicContact CB-CD2 3.9Å |
| 79 | V | 90.4 | Very high | 88 | Confident | 57 Ų | 57 | 40.5 Ų | 40.5 | 35% | 0.345 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 124.4 | 167.1 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | V84 P100 F101 | V79-V84 WeakPolarHBondContact CA-O 3.41Å; V79-P100 CarbonylContact O-C 3.54Å; V79-P100 WeakPolarHBondContact O-CA 3.46Å; V79-F101 HydrophobicContact CG1-CB 4.44Å; V79-F101 WeakPolarHBondContact O-CB 3.38Å; V79-F101 PolarHBondContact O-N 3.5Å |
| 80 | N | 85.8 | Confident | 87.7 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -88.6 | 178.5 | 179.8 | 72.9 | 17.3 | 0 | 0 | 0 | 113.1 | A82 A83 V84 E86 | N80-A82 PolarHBondContact O-N 3.22Å; N80-A82 WeakPolarHBondContact OD1-CA 3.5Å; N80-A82 PolarHBondContact OD1-N 2.88Å; N80-A83 PolarHBondContact O-N 2.9Å; N80-A83 PolarHBondContact OD1-N 3.16Å; N80-V84 PolarHBondContact N-O 2.94Å; N80-V84 WeakPolarHBondContact OD1-CB 3.48Å; N80-V84 PolarHBondContact OD1-N 3.49Å; N80-E86 PolarHBondContact ND2-OE2 3.19Å; N80-E86 VanDerWaalsContact ND2-OE2 3.11Å |
| 81 | Q | 81.8 | Confident | 87.6 | Confident | 56 Ų | 56 | 35.8 Ų | 35.8 | 26% | 0.262 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18.3 | -178.7 | -59.2 | -59.1 | -37.6 | 0 | 0 | 114.6 | A83 R99 P100 | Q81-A83 VanDerWaalsContact C-N 3.34Å; Q81-R99 HydrophobicContact CG-CB 4.35Å; Q81-R99 WeakPolarHBondContact CG-O 3.21Å; Q81-R99 PolarHBondContact NE2-O 3.24Å; Q81-P100 PolarHBondContact NE2-O 3.07Å |
| 82 | A | 76.3 | Confident | 87.4 | Confident | 27 Ų | 27 | 38.9 Ų | 38.9 | 22% | 0.223 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 15.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N80 V84 | N80-A82 PolarHBondContact O-N 3.22Å; N80-A82 WeakPolarHBondContact OD1-CA 3.5Å; N80-A82 PolarHBondContact OD1-N 2.88Å; A82-V84 HydrophobicContact CB-CG2 4.04Å; A82-V84 PolarHBondContact O-N 2.83Å |
| 83 | A | 83.4 | Confident | 87.3 | Confident | 26 Ų | 26 | 34.8 Ų | 34.8 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 57.4 | 26.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N80 Q81 H132 | N80-A83 PolarHBondContact O-N 2.9Å; N80-A83 PolarHBondContact OD1-N 3.16Å; Q81-A83 VanDerWaalsContact C-N 3.34Å; A83-H132 PolarHBondContact O-CE1 3.37Å |
| 84 | V | 81.9 | Confident | 87.2 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.03 | 18% | 0.177 | C | C | . | . | trans | -95.5 | 135 | 177.7 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | V79 N80 A82 E86 V125 | V79-V84 WeakPolarHBondContact CA-O 3.41Å; N80-V84 PolarHBondContact N-O 2.94Å; N80-V84 WeakPolarHBondContact OD1-CB 3.48Å; N80-V84 PolarHBondContact OD1-N 3.49Å; A82-V84 HydrophobicContact CB-CG2 4.04Å; A82-V84 PolarHBondContact O-N 2.83Å; V84-E86 PolarHBondContact O-N 2.79Å; V84-V125 HydrophobicContact CG1-CG2 4.33Å | ||
| 85 | H | 84.6 | Confident | 87.1 | Confident | 96 Ų | 96 | 33.2 Ų | 33.2 | 44% | 0.444 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 114 | 167.1 | -75.9 | -100.4 | 0 | 0 | 0 | 109.8 | E77 C78 S121 | E77-H85 IonicContact OE1-CE1 2.93Å; E77-H85 IonicContact OE1-CG 2.64Å; E77-H85 IonicContact OE1-ND1 3.16Å; E77-H85 PolarHBondContact OE1-ND1 2.99Å; C78-H85 WeakPolarHBondContact O-CA 3.46Å; H85-S121 PolarHBondContact O-OG 2.99Å |
| 86 | E | 88 | Confident | 86.7 | Confident | 10 Ų | 10 | 33 Ų | 33 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 114 | -176.3 | -170.7 | 170.2 | 166 | 0 | 0 | 109.9 | E77 C78 N80 V84 L88 R93 S121 V125 | E77-E86 WeakPolarHBondContact CA-O 3.33Å; C78-E86 PolarHBondContact N-O 2.86Å; C78-E86 PolarHBondContact O-N 3.28Å; N80-E86 PolarHBondContact ND2-OE2 3.19Å; N80-E86 VanDerWaalsContact ND2-OE2 3.11Å; V84-E86 PolarHBondContact O-N 2.79Å; E86-L88 HydrophobicContact CG-CD2 3.91Å; E86-R93 IonicContact OE1-CZ 3.02Å; E86-R93 IonicContact OE1-NH1 3.89Å; E86-R93 PolarHBondContact OE1-NH1 2.76Å; E86-R93 IonicContact OE1-NH2 2.91Å; E86-R93 PolarHBondContact OE1-NH2 3.41Å; E86-S121 WeakPolarHBondContact CA-OG 3.41Å; E86-V125 HydrophobicContact CB-CG2 4.25Å; E86-V125 HydrophobicContact CG-CG2 3.85Å |
| 87 | E | 87.9 | Confident | 86 | Confident | 36 Ų | 36 | 34 Ų | 34 | 17% | 0.168 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.8 | 173 | -68.2 | -176.3 | -177.1 | 0 | 0 | 109.1 | M75 E77 E89 L118 S121 | M75-E87 HydrophobicContact CE-CB 3.91Å; M75-E87 HydrophobicContact CE-CG 4.03Å; M75-E87 VanDerWaalsContact CE-OE2 3.23Å; M75-E87 WeakPolarHBondContact CE-OE2 3.27Å; E77-E87 HydrophobicContact CG-CG 4.41Å; E87-E89 VanDerWaalsContact C-N 3.35Å; E87-E89 PolarHBondContact O-N 2.97Å; E87-E89 VanDerWaalsContact O-N 3.11Å; E87-L118 HydrophobicContact CB-CD2 3.95Å; E87-L118 WeakPolarHBondContact OE2-CD2 3.34Å; E87-S121 PolarHBondContact N-OG 3.41Å |
| 88 | L | 89.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 67.7 | -172.7 | -54.6 | 178.7 | 0 | 0 | 0 | 110.9 | I48 F76 E86 V98 L105 | I48-L88 HydrophobicContact CD1-CD1 3.93Å; I48-L88 HydrophobicContact CG1-CD1 4.14Å; I48-L88 HydrophobicContact CG2-CB 4.31Å; I48-L88 HydrophobicContact CG2-CD1 4.36Å; F76-L88 HydrophobicContact CB-CB 4.34Å; F76-L88 HydrophobicContact CB-CD1 3.95Å; F76-L88 HydrophobicContact CB-CG 4.49Å; F76-L88 WeakPolarHBondContact O-CB 3.32Å; F76-L88 PolarHBondContact O-N 3.47Å; E86-L88 HydrophobicContact CG-CD2 3.91Å; L88-V98 HydrophobicContact CD1-CG1 3.98Å; L88-V98 HydrophobicContact CD1-CG2 4.27Å; L88-V98 HydrophobicContact CD2-CB 4.43Å; L88-V98 HydrophobicContact CD2-CG1 3.62Å; L88-V98 HydrophobicContact CD2-CG2 3.84Å; L88-V98 HydrophobicContact CG-CG1 4.45Å; L88-L105 HydrophobicContact CD1-CD2 4.09Å |
| 89 | E | 83.4 | Confident | 85.3 | Confident | 89 Ų | 89 | 35.1 Ų | 35.1 | 42% | 0.416 | 18% | 0.184 | S | C | . | . | trans | -66.1 | -40.4 | 177.8 | -176.1 | 175.9 | -149.9 | 0 | 0 | 112.1 | E87 E91 R110 L118 | E87-E89 VanDerWaalsContact C-N 3.35Å; E87-E89 PolarHBondContact O-N 2.97Å; E87-E89 VanDerWaalsContact O-N 3.11Å; E89-E91 PolarHBondContact O-N 3.48Å; E89-E91 VanDerWaalsContact O-N 3.14Å; E89-R110 PolarHBondContact O-NH2 3.31Å; E89-L118 HydrophobicContact CB-CD2 4.47Å | ||
| 90 | D | 83.5 | Confident | 85.3 | Confident | 68 Ų | 68 | 32.4 Ų | 32.4 | 36% | 0.364 | 17% | 0.167 | S | C | . | . | trans | -78.9 | 91.2 | 173.5 | -178.8 | 5.9 | 0 | 0 | 0 | 110.1 | T92 R93 | D90-T92 PolarHBondContact O-N 3.17Å; D90-T92 WeakPolarHBondContact OD1-CB 3.41Å; D90-T92 PolarHBondContact OD1-N 3.01Å; D90-T92 PolarHBondContact OD1-OG1 3.29Å; D90-R93 HydrophobicContact CB-CG 4.33Å; D90-R93 PolarHBondContact O-N 3.24Å | ||
| 91 | E | 90.1 | Very high | 85.4 | Confident | 22 Ų | 22 | 37 Ų | 37 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -2.9 | -179.1 | -61.2 | -174.2 | 177.4 | 0 | 0 | 113.3 | I48 Q49 K52 E89 R93 R110 | I48-E91 HydrophobicContact CB-CB 4.44Å; I48-E91 HydrophobicContact CG2-CB 4.38Å; I48-E91 HydrophobicContact CG2-CG 4.26Å; I48-E91 PolarHBondContact N-O 3.26Å; Q49-E91 HydrophobicContact CB-CB 3.81Å; Q49-E91 WeakPolarHBondContact CB-O 3.43Å; Q49-E91 PolarHBondContact N-O 2.93Å; K52-E91 WeakPolarHBondContact CE-OE1 3.31Å; K52-E91 WeakPolarHBondContact CE-OE2 3.48Å; K52-E91 IonicContact NZ-OE1 2.78Å; K52-E91 PolarHBondContact NZ-OE1 3.41Å; K52-E91 IonicContact NZ-OE2 3.36Å; K52-E91 PolarHBondContact NZ-OE2 2.94Å; E89-E91 PolarHBondContact O-N 3.48Å; E89-E91 VanDerWaalsContact O-N 3.14Å; E91-R93 VanDerWaalsContact C-N 3.32Å; E91-R110 IonicContact OE1-CZ 3.38Å; E91-R110 IonicContact OE1-NE 2.71Å; E91-R110 IonicContact OE1-NH2 3.1Å; E91-R110 PolarHBondContact OE1-NH2 2.84Å |
| 92 | T | 87.1 | Confident | 85.7 | Confident | 97 Ų | 97 | 39.1 Ų | 39.1 | 60% | 0.595 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -20.6 | 175.9 | 73.6 | 0 | 0 | 0 | 0 | 112.4 | T47 D90 | T47-T92 VanDerWaalsContact CG2-O 3.32Å; T47-T92 WeakPolarHBondContact CG2-O 3.29Å; D90-T92 PolarHBondContact O-N 3.17Å; D90-T92 WeakPolarHBondContact OD1-CB 3.41Å; D90-T92 PolarHBondContact OD1-N 3.01Å; D90-T92 PolarHBondContact OD1-OG1 3.29Å |
| 93 | R | 87.3 | Confident | 86.4 | Confident | 35 Ų | 35 | 39.1 Ų | 39.1 | 13% | 0.132 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -60.2 | 148.9 | 176.8 | -68.8 | 174.6 | 65.6 | -161.5 | 4.4 | 111.4 | T47 I48 E86 D90 E91 V98 | T47-R93 CarbonylContact C-O 3.49Å; T47-R93 VanDerWaalsContact CA-O 3.26Å; T47-R93 WeakPolarHBondContact CA-O 3.42Å; I48-R93 WeakPolarHBondContact CG1-O 3.34Å; I48-R93 PolarHBondContact N-O 3.47Å; E86-R93 IonicContact OE1-CZ 3.02Å; E86-R93 IonicContact OE1-NH1 3.89Å; E86-R93 PolarHBondContact OE1-NH1 2.76Å; E86-R93 IonicContact OE1-NH2 2.91Å; E86-R93 PolarHBondContact OE1-NH2 3.41Å; D90-R93 HydrophobicContact CB-CG 4.33Å; D90-R93 PolarHBondContact O-N 3.24Å; E91-R93 VanDerWaalsContact C-N 3.32Å; R93-V98 HydrophobicContact CB-CG2 4.19Å |
| 94 | R | 88 | Confident | 87 | Confident | 21 Ų | 21 | 39.9 Ų | 39.9 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -87.8 | 153.3 | 173.2 | -61.8 | 169.1 | -78.6 | -100.4 | -33.8 | 111.2 | E45 A46 C96 D97 V98 S758 E762 | E45-R94 WeakPolarHBondContact O-CG 3.37Å; A46-R94 WeakPolarHBondContact O-CA 3.4Å; R94-C96 VanDerWaalsContact C-N 3.26Å; R94-C96 PolarHBondContact O-N 3.46Å; R94-D97 HydrophobicContact CB-CB 4.48Å; R94-D97 WeakPolarHBondContact CB-OD2 3.47Å; R94-D97 IonicContact CZ-OD2 3.15Å; R94-D97 VanDerWaalsContact CZ-OD2 3.24Å; R94-D97 PolarHBondContact N-OD2 3.47Å; R94-D97 IonicContact NE-OD1 3.91Å; R94-D97 IonicContact NE-OD2 3.12Å; R94-D97 PolarHBondContact NE-OD2 2.87Å; R94-D97 IonicContact NH2-OD2 2.71Å; R94-D97 PolarHBondContact NH2-OD2 3.16Å; R94-D97 WeakPolarHBondContact O-CB 3.46Å; R94-D97 PolarHBondContact O-N 3.47Å; R94-V98 WeakPolarHBondContact O-CG2 3.41Å; R94-V98 PolarHBondContact O-N 3.26Å; R94-V98 VanDerWaalsContact O-N 3.08Å; R94-S758 VanDerWaalsContact NH1-C 3.29Å; R94-S758 PolarHBondContact NH1-OG 3.17Å; R94-E762 IonicContact CZ-OE2 2.68Å; R94-E762 VanDerWaalsContact CZ-OE2 3.28Å; R94-E762 IonicContact NH1-OE1 2.8Å; R94-E762 IonicContact NH1-OE2 2.75Å; R94-E762 PolarHBondContact NH1-OE2 2.9Å; R94-E762 IonicContact NH2-OE2 3.22Å; R94-E762 PolarHBondContact NH2-OE2 3.29Å |
| 95 | L | 88.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.7 | -39.6 | 176.8 | -177.4 | 62.8 | 0 | 0 | 0 | 112.5 | W12 I26 V28 V42 A46 I48 I51 D97 V98 R99 P100 L105 | W12-L95 HydrophobicContact CH2-CD1 3.99Å; W12-L95 HydrophobicContact CH2-CD2 3.76Å; W12-L95 HydrophobicContact CH2-CG 3.58Å; W12-L95 HydrophobicContact CZ3-CD1 4.43Å; W12-L95 HydrophobicContact CZ3-CD2 3.86Å; W12-L95 HydrophobicContact CZ3-CG 3.59Å; I26-L95 HydrophobicContact CG2-CD2 3.67Å; V28-L95 HydrophobicContact CG2-CD2 3.85Å; V42-L95 HydrophobicContact CG2-CD2 3.66Å; A46-L95 PolarHBondContact O-N 2.84Å; A46-L95 VanDerWaalsContact O-N 3.09Å; I48-L95 HydrophobicContact CD1-CD1 4.37Å; I51-L95 HydrophobicContact CD1-CB 3.76Å; I51-L95 HydrophobicContact CD1-CD1 4.49Å; I51-L95 HydrophobicContact CD1-CD2 4.03Å; I51-L95 HydrophobicContact CD1-CG 4.31Å; L95-D97 PolarHBondContact O-N 3.5Å; L95-V98 PolarHBondContact O-N 2.93Å; L95-R99 PolarHBondContact O-N 3.41Å; L95-P100 HydrophobicContact CD1-CG 4.07Å; L95-L105 HydrophobicContact CD1-CD1 4.28Å; L95-L105 HydrophobicContact CD1-CD2 4.49Å |
| 96 | C | 82.6 | Confident | 88.2 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.6 | -16.6 | 175.1 | 65.8 | 0 | 0 | 0 | 0 | 114.9 | R44 E45 R94 R99 | R44-C96 HydrophobicContact CG-CB 3.73Å; R44-C96 WeakPolarHBondContact O-CB 3.48Å; R44-C96 PolarHBondContact O-N 3.12Å; R44-C96 VanDerWaalsContact O-N 3.16Å; E45-C96 PolarHBondContact OE1-SG 2.8Å; E45-C96 PolarHBondContact OE2-SG 3.27Å; R94-C96 VanDerWaalsContact C-N 3.26Å; R94-C96 PolarHBondContact O-N 3.46Å; C96-R99 WeakPolarHBondContact O-CG 3.35Å |
| 97 | D | 80.8 | Confident | 88.5 | Confident | 19 Ų | 19 | 39.2 Ų | 39.2 | 10% | 0.102 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -87.4 | -34.1 | 173.3 | -59.9 | -28.7 | 0 | 0 | 0 | 110.8 | R94 L95 K721 | R94-D97 HydrophobicContact CB-CB 4.48Å; R94-D97 WeakPolarHBondContact CB-OD2 3.47Å; R94-D97 IonicContact CZ-OD2 3.15Å; R94-D97 VanDerWaalsContact CZ-OD2 3.24Å; R94-D97 PolarHBondContact N-OD2 3.47Å; R94-D97 IonicContact NE-OD1 3.91Å; R94-D97 IonicContact NE-OD2 3.12Å; R94-D97 PolarHBondContact NE-OD2 2.87Å; R94-D97 IonicContact NH2-OD2 2.71Å; R94-D97 PolarHBondContact NH2-OD2 3.16Å; R94-D97 WeakPolarHBondContact O-CB 3.46Å; R94-D97 PolarHBondContact O-N 3.47Å; L95-D97 PolarHBondContact O-N 3.5Å; D97-K721 WeakPolarHBondContact OD1-CE 3.14Å; D97-K721 IonicContact OD1-NZ 3.57Å; D97-K721 PolarHBondContact OD1-NZ 2.85Å |
| 98 | V | 86.1 | Confident | 88.7 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70 | -40.8 | 175.5 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | I48 C78 L88 R93 R94 L95 | I48-V98 HydrophobicContact CD1-CG2 4.16Å; I48-V98 HydrophobicContact CG1-CG2 4.17Å; C78-V98 VanDerWaalsContact SG-CG1 3.54Å; L88-V98 HydrophobicContact CD1-CG1 3.98Å; L88-V98 HydrophobicContact CD1-CG2 4.27Å; L88-V98 HydrophobicContact CD2-CB 4.43Å; L88-V98 HydrophobicContact CD2-CG1 3.62Å; L88-V98 HydrophobicContact CD2-CG2 3.84Å; L88-V98 HydrophobicContact CG-CG1 4.45Å; R93-V98 HydrophobicContact CB-CG2 4.19Å; R94-V98 WeakPolarHBondContact O-CG2 3.41Å; R94-V98 PolarHBondContact O-N 3.26Å; R94-V98 VanDerWaalsContact O-N 3.08Å; L95-V98 PolarHBondContact O-N 2.93Å |
| 99 | R | 84.9 | Confident | 88.5 | Confident | 46 Ų | 46 | 41.6 Ų | 41.6 | 17% | 0.174 | 21% | 0.212 | C | C | . | . | trans | 51.2 | 55.3 | 177.2 | -55.5 | 174.2 | 69.5 | 167.5 | 2.9 | 113.3 | D10 W12 Q81 L95 C96 F101 | D10-R99 IonicContact OD2-CZ 3.92Å; D10-R99 IonicContact OD2-NE 2.92Å; D10-R99 IonicContact OD2-NH2 2.66Å; D10-R99 PolarHBondContact OD2-NH2 3.28Å; W12-R99 HydrophobicContact CB-CB 4.3Å; W12-R99 HydrophobicContact CB-CG 3.94Å; W12-R99 HydrophobicContact CG-CB 3.97Å; W12-R99 HydrophobicContact CG-CG 4.08Å; Q81-R99 HydrophobicContact CG-CB 4.35Å; Q81-R99 WeakPolarHBondContact CG-O 3.21Å; Q81-R99 PolarHBondContact NE2-O 3.24Å; L95-R99 PolarHBondContact O-N 3.41Å; C96-R99 WeakPolarHBondContact O-CG 3.35Å; R99-F101 PolarHBondContact O-N 3.33Å | ||
| 100 | P | 89.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -60.1 | 140.8 | 179.2 | 30.4 | -36.2 | 0 | 0 | 0 | 110.2 | W12 C78 V79 Q81 L95 L102 | W12-P100 HydrophobicContact CH2-CG 4.09Å; W12-P100 VanDerWaalsContact CZ2-CD 3.46Å; W12-P100 HydrophobicContact CZ2-CG 3.49Å; W12-P100 VanDerWaalsContact CZ2-CG 3.49Å; W12-P100 PolarHBondContact NE1-O 3.01Å; C78-P100 HydrophobicContact CB-CB 3.73Å; V79-P100 CarbonylContact O-C 3.54Å; V79-P100 WeakPolarHBondContact O-CA 3.46Å; Q81-P100 PolarHBondContact NE2-O 3.07Å; L95-P100 HydrophobicContact CD1-CG 4.07Å; P100-L102 CarbonylContact C-O 3.6Å; P100-L102 VanDerWaalsContact CB-O 3.25Å; P100-L102 WeakPolarHBondContact CB-O 3.44Å; P100-L102 WeakPolarHBondContact CG-O 3.33Å; P100-L102 PolarHBondContact O-N 3.1Å; P100-L102 VanDerWaalsContact O-N 3.16Å |
| 101 | F | 87.7 | Confident | 87.3 | Confident | 111 Ų | 111 | 43.2 Ų | 43.2 | 49% | 0.487 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -50.6 | -42.9 | -175.7 | 175.8 | -108.8 | 0 | 0 | 0 | 112.3 | V79 R99 | V79-F101 HydrophobicContact CG1-CB 4.44Å; V79-F101 WeakPolarHBondContact O-CB 3.38Å; V79-F101 PolarHBondContact O-N 3.5Å; R99-F101 PolarHBondContact O-N 3.33Å |
| 102 | L | 89.2 | Confident | 85.3 | Confident | 101 Ų | 101 | 47.6 Ų | 47.6 | 53% | 0.529 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -118.4 | 155.8 | 165.2 | -66.7 | 173.5 | 0 | 0 | 0 | 108.5 | P100 V104 | P100-L102 CarbonylContact C-O 3.6Å; P100-L102 VanDerWaalsContact CB-O 3.25Å; P100-L102 WeakPolarHBondContact CB-O 3.44Å; P100-L102 WeakPolarHBondContact CG-O 3.33Å; P100-L102 PolarHBondContact O-N 3.1Å; P100-L102 VanDerWaalsContact O-N 3.16Å; L102-V104 HydrophobicContact CB-CG2 3.81Å; L102-V104 PolarHBondContact O-N 2.91Å |
| 103 | P | 91.3 | Very high | 83.6 | Confident | 26 Ų | 26 | 46.3 Ų | 46.3 | 17% | 0.169 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -73.5 | 62.1 | 175 | 33.7 | -35.3 | 0 | 0 | 0 | 110.7 | I11 W12 I26 T27 V28 D29 | I11-P103 HydrophobicContact CD1-CB 4.45Å; I11-P103 HydrophobicContact CD1-CG 4.18Å; W12-P103 HydrophobicContact CH2-CB 4.37Å; W12-P103 HydrophobicContact CZ2-CB 4.22Å; I26-P103 HydrophobicContact CD1-CB 4.01Å; I26-P103 HydrophobicContact CG1-CB 4.28Å; T27-P103 WeakPolarHBondContact O-CB 3.47Å; V28-P103 CarbonylContact C-O 3.51Å; V28-P103 VanDerWaalsContact CA-O 3.29Å; V28-P103 WeakPolarHBondContact CA-O 3.39Å; V28-P103 WeakPolarHBondContact CG1-O 3.2Å; V28-P103 HydrophobicContact CG2-CB 4.07Å; D29-P103 PolarHBondContact N-O 3.41Å |
| 104 | V | 95.4 | Very high | 82.5 | Confident | 42 Ų | 42 | 52 Ų | 52 | 26% | 0.255 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 120.8 | -178.1 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | D29 L31 L102 | D29-V104 HydrophobicContact CB-CB 4.5Å; D29-V104 HydrophobicContact CB-CG1 4.37Å; D29-V104 HydrophobicContact CB-CG2 4.12Å; D29-V104 CarbonylContact O-C 3.6Å; D29-V104 WeakPolarHBondContact O-CA 3.35Å; L31-V104 HydrophobicContact CD1-CG1 3.95Å; L31-V104 HydrophobicContact CG-CG1 4.18Å; L102-V104 HydrophobicContact CB-CG2 3.81Å; L102-V104 PolarHBondContact O-N 2.91Å |
| 105 | L | 96.7 | Very high | 81.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 117.2 | 175.3 | -64.9 | -178.2 | 0 | 0 | 0 | 109.7 | V28 D29 F30 L31 I51 F76 C78 L88 L95 | V28-L105 HydrophobicContact CG1-CB 4.32Å; V28-L105 HydrophobicContact CG1-CD1 4.13Å; V28-L105 HydrophobicContact CG1-CG 3.95Å; D29-L105 PolarHBondContact O-N 3.46Å; F30-L105 VanDerWaalsContact CA-O 3.31Å; F30-L105 WeakPolarHBondContact CA-O 3.35Å; F30-L105 HydrophobicContact CD1-CB 4Å; F30-L105 HydrophobicContact CE1-CB 4.03Å; F30-L105 HydrophobicContact CE1-CD1 3.84Å; F30-L105 HydrophobicContact CE1-CG 4.45Å; F30-L105 HydrophobicContact CZ-CD1 4.44Å; L31-L105 PolarHBondContact N-O 3.03Å; I51-L105 HydrophobicContact CG2-CD1 4.07Å; F76-L105 HydrophobicContact CD1-CB 3.73Å; F76-L105 HydrophobicContact CD1-CD1 4.47Å; F76-L105 HydrophobicContact CD2-CD1 4.39Å; F76-L105 HydrophobicContact CE1-CB 4.09Å; F76-L105 HydrophobicContact CE2-CD1 4.49Å; F76-L105 HydrophobicContact CG-CB 4.21Å; F76-L105 HydrophobicContact CG-CD1 4.33Å; C78-L105 HydrophobicContact CB-CD2 3.9Å; L88-L105 HydrophobicContact CD1-CD2 4.09Å; L95-L105 HydrophobicContact CD1-CD1 4.28Å; L95-L105 HydrophobicContact CD1-CD2 4.49Å |
| 106 | K | 96 | Very high | 80.5 | Confident | 94 Ų | 94 | 55.9 Ų | 55.9 | 41% | 0.409 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 125.3 | 175 | -179 | -176.8 | 169.1 | -155.1 | 0 | 109.3 | L31 F76 E77 V108 | L31-K106 HydrophobicContact CB-CB 4.24Å; L31-K106 HydrophobicContact CB-CG 4.14Å; F76-K106 CarbonylContact C-O 3.56Å; F76-K106 WeakPolarHBondContact CA-O 3.43Å; E77-K106 HydrophobicContact CB-CB 4.43Å; E77-K106 PolarHBondContact N-O 2.72Å; E77-K106 PolarHBondContact O-N 2.86Å; E77-K106 IonicContact OE2-NZ 2.82Å; E77-K106 PolarHBondContact OE2-NZ 3.08Å; K106-V108 HydrophobicContact CD-CG1 4.25Å; K106-V108 HydrophobicContact CG-CG1 4.13Å |
| 107 | L | 94.4 | Very high | 80.1 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 126.7 | 175.1 | -172.8 | 77.8 | 0 | 0 | 0 | 109 | L31 L32 P33 W56 H74 F76 | L31-L107 PolarHBondContact O-N 3.19Å; L32-L107 HydrophobicContact CD2-CB 4.13Å; L32-L107 HydrophobicContact CD2-CD2 3.48Å; L32-L107 VanDerWaalsContact CD2-CD2 3.48Å; L32-L107 HydrophobicContact CD2-CG 4.45Å; P33-L107 WeakPolarHBondContact CD-O 3.31Å; P33-L107 HydrophobicContact CG-CD2 4.46Å; P33-L107 WeakPolarHBondContact CG-O 3.42Å; W56-L107 HydrophobicContact CH2-CD1 4.22Å; W56-L107 HydrophobicContact CH2-CD2 3.51Å; W56-L107 HydrophobicContact CH2-CG 4.39Å; W56-L107 HydrophobicContact CZ3-CD1 3.76Å; W56-L107 HydrophobicContact CZ3-CD2 3.51Å; W56-L107 HydrophobicContact CZ3-CG 4.26Å; H74-L107 HydrophobicContact CB-CD1 3.68Å; H74-L107 HydrophobicContact CB-CD2 4.29Å; H74-L107 HydrophobicContact CB-CG 3.96Å; F76-L107 HydrophobicContact CD1-CB 4.28Å; F76-L107 HydrophobicContact CD1-CD1 3.95Å; F76-L107 HydrophobicContact CE1-CB 4.19Å; F76-L107 HydrophobicContact CE1-CD1 3.77Å; F76-L107 HydrophobicContact CZ-CD1 4.31Å |
| 108 | V | 90.4 | Very high | 79.9 | Confident | 24 Ų | 24 | 62.9 Ų | 62.9 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 150.4 | 179.8 | -63.6 | 0 | 0 | 0 | 0 | 110.1 | H74 M75 E77 K106 | H74-V108 VanDerWaalsContact CA-O 3.3Å; H74-V108 WeakPolarHBondContact CA-O 3.37Å; M75-V108 HydrophobicContact CE-CG2 4.01Å; M75-V108 HydrophobicContact CG-CG2 3.74Å; M75-V108 PolarHBondContact N-O 3.44Å; M75-V108 WeakPolarHBondContact O-CG2 3.37Å; M75-V108 PolarHBondContact O-N 3.32Å; M75-V108 VanDerWaalsContact O-O 3.12Å; E77-V108 HydrophobicContact CB-CG1 4.1Å; E77-V108 HydrophobicContact CB-CG2 4.19Å; E77-V108 WeakPolarHBondContact OE2-CG1 3.38Å; K106-V108 HydrophobicContact CD-CG1 4.25Å; K106-V108 HydrophobicContact CG-CG1 4.13Å |
| 109 | T | 86.6 | Confident | 79.9 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 39% | 0.393 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 138 | 173.7 | 49.7 | 0 | 0 | 0 | 0 | 109.8 | H74 N111 | H74-T109 WeakPolarHBondContact NE2-CG2 3.49Å; T109-N111 PolarHBondContact O-N 3.3Å; T109-N111 PolarHBondContact OG1-OD1 2.84Å |
| 110 | R | 80.1 | Confident | 79.9 | Confident | 76 Ų | 76 | 63 Ų | 63 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | trans | -68.2 | 82.6 | 168.9 | -72 | -177 | 177.8 | -104.1 | -2.5 | 108.2 | E72 S73 H74 M75 E89 E91 C112 | E72-R110 VanDerWaalsContact O-CD 3.23Å; E72-R110 WeakPolarHBondContact O-CD 3.35Å; S73-R110 WeakPolarHBondContact O-CB 3.43Å; S73-R110 PolarHBondContact O-N 3.47Å; H74-R110 PolarHBondContact O-NE 2.95Å; M75-R110 HydrophobicContact CB-CG 4Å; M75-R110 HydrophobicContact CG-CG 4.03Å; M75-R110 HydrophobicContact SD-CG 4.18Å; E89-R110 PolarHBondContact O-NH2 3.31Å; E91-R110 IonicContact OE1-CZ 3.38Å; E91-R110 IonicContact OE1-NE 2.71Å; E91-R110 IonicContact OE1-NH2 3.1Å; E91-R110 PolarHBondContact OE1-NH2 2.84Å; R110-C112 PolarHBondContact O-N 3.19Å; R110-C112 VanDerWaalsContact O-N 3.09Å | ||
| 111 | N | 60.2 | Low | 79.7 | Confident | 115 Ų | 115 | 63.7 Ų | 63.7 | 62% | 0.615 | 34% | 0.335 | S | S | * | . | trans | -76.7 | 97.2 | 173.6 | -82.2 | -22.8 | 0 | 0 | 0 | 108.7 | T109 G113 | T109-N111 PolarHBondContact O-N 3.3Å; T109-N111 PolarHBondContact OG1-OD1 2.84Å; N111-G113 PolarHBondContact O-N 3Å | ||
| 112 | C | 49 | Very low | 79.7 | Confident | 113 Ų | 113 | 61.7 Ų | 61.7 | 76% | 0.764 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 2.4 | 176.9 | -60.8 | 0 | 0 | 0 | 0 | 115.6 | R110 | R110-C112 PolarHBondContact O-N 3.19Å; R110-C112 VanDerWaalsContact O-N 3.09Å |
| 113 | G | 51.2 | Low | 79.8 | Confident | 71 Ų | 71 | 56.9 Ų | 56.9 | 73% | 0.732 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 3.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | N111 | N111-G113 PolarHBondContact O-N 3Š|
| 114 | R | 63.5 | Low | 79.7 | Confident | 154 Ų | 154 | 55.7 Ų | 55.7 | 58% | 0.581 | 29% | 0.293 | S | S | * | . | trans | -127.7 | 57.1 | 177.5 | -64.2 | -170.4 | -177 | -177.3 | 1 | 113.1 | E116 R117 L118 | R114-E116 PolarHBondContact O-N 3.28Å; R114-E116 VanDerWaalsContact O-N 3.1Å; R114-R117 HydrophobicContact CB-CB 3.9Å; R114-R117 WeakPolarHBondContact O-CB 3.08Å; R114-R117 PolarHBondContact O-N 3.46Å; R114-L118 PolarHBondContact O-N 2.73Å | ||
| 115 | A | 64.9 | Low | 79.3 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -51.6 | -31.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L118 L119 | A115-L118 PolarHBondContact O-N 2.99Å; A115-L119 WeakPolarHBondContact O-CB 3.19Å; A115-L119 PolarHBondContact O-N 2.88Å |
| 116 | E | 70.6 | Confident | 79.1 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 38% | 0.379 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 173.3 | -174 | 162.6 | -135.5 | 0 | 0 | 112.6 | R114 L119 D120 K306 | R114-E116 PolarHBondContact O-N 3.28Å; R114-E116 VanDerWaalsContact O-N 3.1Å; E116-L119 PolarHBondContact O-N 3.28Å; E116-D120 WeakPolarHBondContact O-CB 3.36Å; E116-D120 PolarHBondContact O-N 3.39Å; E116-D120 VanDerWaalsContact O-OD1 3.12Å; E116-K306 IonicContact OE1-NZ 3.3Å; E116-K306 PolarHBondContact OE1-NZ 3.37Å; E116-K306 IonicContact OE2-NZ 2.7Å |
| 117 | R | 74.4 | Confident | 78.9 | Confident | 136 Ų | 136 | 51.2 Ų | 51.2 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.3 | -37.2 | 179.7 | -151.7 | -174.7 | -154.3 | -172.7 | -0.6 | 112.2 | R114 D120 S121 | R114-R117 HydrophobicContact CB-CB 3.9Å; R114-R117 WeakPolarHBondContact O-CB 3.08Å; R114-R117 PolarHBondContact O-N 3.46Å; R117-D120 PolarHBondContact O-N 3.26Å; R117-S121 WeakPolarHBondContact O-CB 3.45Å; R117-S121 PolarHBondContact O-N 2.97Å |
| 118 | L | 76.6 | Confident | 78.4 | Confident | 36 Ų | 36 | 51.9 Ų | 51.9 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 172.3 | -76.9 | 167.1 | 0 | 0 | 0 | 111.1 | M75 E87 E89 R114 A115 D120 S121 K122 | M75-L118 HydrophobicContact CE-CD2 4.39Å; E87-L118 HydrophobicContact CB-CD2 3.95Å; E87-L118 WeakPolarHBondContact OE2-CD2 3.34Å; E89-L118 HydrophobicContact CB-CD2 4.47Å; R114-L118 PolarHBondContact O-N 2.73Å; A115-L118 PolarHBondContact O-N 2.99Å; L118-D120 VanDerWaalsContact C-N 3.34Å; L118-S121 PolarHBondContact O-N 2.89Å; L118-K122 WeakPolarHBondContact O-CG 3.41Å; L118-K122 PolarHBondContact O-N 3.13Å |
| 119 | L | 84.8 | Confident | 78.1 | Confident | 14 Ų | 14 | 52.2 Ų | 52.2 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61 | -44.4 | 175.2 | -179.1 | 61.2 | 0 | 0 | 0 | 111 | A115 E116 S121 K122 I123 V302 I706 I709 | A115-L119 WeakPolarHBondContact O-CB 3.19Å; A115-L119 PolarHBondContact O-N 2.88Å; E116-L119 PolarHBondContact O-N 3.28Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 2.99Å; L119-K122 PolarHBondContact O-N 3.34Å; L119-I123 HydrophobicContact CD1-CD1 3.92Å; L119-I123 HydrophobicContact CD1-CG1 4.09Å; L119-I123 HydrophobicContact CD2-CD1 4.46Å; L119-I123 HydrophobicContact CG-CD1 3.79Å; L119-I123 HydrophobicContact CG-CG1 4.34Å; L119-I123 WeakPolarHBondContact O-CB 3.45Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 3.45Å; L119-V302 HydrophobicContact CD2-CG1 4.15Å; L119-I706 HydrophobicContact CD2-CD1 4.06Å; L119-I709 HydrophobicContact CD1-CD1 3.75Å |
| 120 | D | 86.1 | Confident | 77.9 | Confident | 41 Ų | 41 | 49.1 Ų | 49.1 | 22% | 0.219 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 177.3 | -68.6 | -8.2 | 0 | 0 | 0 | 111.8 | E116 R117 L118 G124 L131 R703 | E116-D120 WeakPolarHBondContact O-CB 3.36Å; E116-D120 PolarHBondContact O-N 3.39Å; E116-D120 VanDerWaalsContact O-OD1 3.12Å; R117-D120 PolarHBondContact O-N 3.26Å; L118-D120 VanDerWaalsContact C-N 3.34Å; D120-G124 PolarHBondContact O-N 3.43Å; D120-L131 HydrophobicContact CB-CD1 3.87Å; D120-R703 IonicContact OD1-CZ 3.27Å; D120-R703 IonicContact OD1-NH1 3.42Å; D120-R703 PolarHBondContact OD1-NH1 2.99Å; D120-R703 IonicContact OD1-NH2 2.69Å; D120-R703 PolarHBondContact OD1-NH2 3.44Å |
| 121 | S | 84 | Confident | 78.2 | Confident | 14 Ų | 14 | 46 Ų | 46 | 10% | 0.098 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.4 | -49.3 | 174.7 | -172.2 | 0 | 0 | 0 | 0 | 111.2 | H85 E86 E87 R117 L118 L119 I123 G124 V125 | H85-S121 PolarHBondContact O-OG 2.99Å; E86-S121 WeakPolarHBondContact CA-OG 3.41Å; E87-S121 PolarHBondContact N-OG 3.41Å; R117-S121 WeakPolarHBondContact O-CB 3.45Å; R117-S121 PolarHBondContact O-N 2.97Å; L118-S121 PolarHBondContact O-N 2.89Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 2.99Å; S121-I123 VanDerWaalsContact C-N 3.34Å; S121-I123 PolarHBondContact O-N 2.7Å; S121-G124 PolarHBondContact O-N 2.9Å; S121-V125 VanDerWaalsContact O-CG2 3.27Å; S121-V125 WeakPolarHBondContact O-CG2 3.44Å; S121-V125 PolarHBondContact O-N 2.87Å |
| 122 | K | 87.6 | Confident | 79.3 | Confident | 69 Ų | 69 | 44.7 Ų | 44.7 | 30% | 0.3 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.7 | -46.1 | 176.6 | -74.2 | -176 | 178.6 | -163.3 | 0 | 112.1 | L118 L119 L126 I709 E710 | L118-K122 WeakPolarHBondContact O-CG 3.41Å; L118-K122 PolarHBondContact O-N 3.13Å; L119-K122 PolarHBondContact O-N 3.34Å; K122-L126 VanDerWaalsContact O-CB 3.3Å; K122-L126 WeakPolarHBondContact O-CB 3.37Å; K122-L126 PolarHBondContact O-N 3.27Å; K122-I709 HydrophobicContact CB-CG2 4.5Å; K122-E710 IonicContact NZ-OE1 2.85Å; K122-E710 PolarHBondContact NZ-OE1 3.46Å |
| 123 | I | 92.3 | Very high | 81 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64 | -47.3 | 178.4 | -68.8 | 176.5 | 0 | 0 | 0 | 110.2 | L119 S121 V125 L126 I127 L131 E699 C702 R703 I709 | L119-I123 HydrophobicContact CD1-CD1 3.92Å; L119-I123 HydrophobicContact CD1-CG1 4.09Å; L119-I123 HydrophobicContact CD2-CD1 4.46Å; L119-I123 HydrophobicContact CG-CD1 3.79Å; L119-I123 HydrophobicContact CG-CG1 4.34Å; L119-I123 WeakPolarHBondContact O-CB 3.45Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 3.45Å; S121-I123 VanDerWaalsContact C-N 3.34Å; S121-I123 PolarHBondContact O-N 2.7Å; I123-V125 PolarHBondContact O-N 3.18Å; I123-L126 PolarHBondContact O-N 2.78Å; I123-I127 HydrophobicContact CG2-CD1 3.43Å; I123-I127 VanDerWaalsContact CG2-CD1 3.43Å; I123-I127 HydrophobicContact CG2-CG1 4.19Å; I123-I127 WeakPolarHBondContact O-CB 3.42Å; I123-I127 VanDerWaalsContact O-CG1 3.27Å; I123-I127 WeakPolarHBondContact O-CG1 3.38Å; I123-I127 PolarHBondContact O-N 2.95Å; I123-L131 HydrophobicContact CB-CD1 4.17Å; I123-L131 HydrophobicContact CG2-CD1 4Å; I123-L131 HydrophobicContact CG2-CD2 4.1Å; I123-L131 HydrophobicContact CG2-CG 4.43Å; I123-E699 HydrophobicContact CG2-CB 4.46Å; I123-E699 HydrophobicContact CG2-CG 4.35Å; I123-C702 HydrophobicContact CD1-CB 3.92Å; I123-C702 HydrophobicContact CG1-CB 3.78Å; I123-C702 HydrophobicContact CG2-CB 4.17Å; I123-R703 HydrophobicContact CD1-CG 3.55Å; I123-I709 HydrophobicContact CG1-CD1 4Å |
| 124 | G | 89.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D120 S121 G128 K129 | D120-G124 PolarHBondContact O-N 3.43Å; S121-G124 PolarHBondContact O-N 2.9Å; G124-G128 PolarHBondContact O-N 2.92Å; G124-K129 VanDerWaalsContact CA-O 3.23Å; G124-K129 WeakPolarHBondContact CA-O 3.29Å; G124-K129 PolarHBondContact O-N 3.01Å; G124-K129 VanDerWaalsContact O-N 3.1Å |
| 125 | V | 87 | Confident | 83.7 | Confident | 38 Ų | 38 | 35.4 Ų | 35.4 | 23% | 0.23 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.8 | -47.1 | 174.4 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | V84 E86 S121 I123 G128 | V84-V125 HydrophobicContact CG1-CG2 4.33Å; E86-V125 HydrophobicContact CB-CG2 4.25Å; E86-V125 HydrophobicContact CG-CG2 3.85Å; S121-V125 VanDerWaalsContact O-CG2 3.27Å; S121-V125 WeakPolarHBondContact O-CG2 3.44Å; S121-V125 PolarHBondContact O-N 2.87Å; I123-V125 PolarHBondContact O-N 3.18Å; V125-G128 PolarHBondContact O-N 3.38Å |
| 126 | L | 91.8 | Very high | 84.7 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | -178.1 | 179.5 | 61.7 | 0 | 0 | 0 | 112.4 | K122 I123 G128 F678 I709 L712 K713 V716 | K122-L126 VanDerWaalsContact O-CB 3.3Å; K122-L126 WeakPolarHBondContact O-CB 3.37Å; K122-L126 PolarHBondContact O-N 3.27Å; I123-L126 PolarHBondContact O-N 2.78Å; L126-G128 VanDerWaalsContact C-N 3.26Å; L126-G128 PolarHBondContact O-N 3.49Å; L126-F678 HydrophobicContact CD1-CE2 4.31Å; L126-F678 HydrophobicContact CD1-CZ 3.77Å; L126-F678 HydrophobicContact CD2-CE2 3.94Å; L126-F678 HydrophobicContact CD2-CZ 4.23Å; L126-F678 HydrophobicContact CG-CE2 3.8Å; L126-F678 HydrophobicContact CG-CZ 3.75Å; L126-I709 HydrophobicContact CD2-CB 4.4Å; L126-I709 HydrophobicContact CD2-CG1 4.42Å; L126-I709 HydrophobicContact CD2-CG2 4.02Å; L126-L712 HydrophobicContact CD1-CB 3.81Å; L126-L712 HydrophobicContact CD2-CB 3.96Å; L126-L712 HydrophobicContact CD2-CD1 4.3Å; L126-L712 HydrophobicContact CG-CB 4.48Å; L126-K713 HydrophobicContact CD1-CB 4.37Å; L126-V716 HydrophobicContact CD1-CB 4.48Å; L126-V716 HydrophobicContact CD1-CG2 3.88Å |
| 127 | I | 91.1 | Very high | 85.5 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.5 | -26.6 | 178.4 | -65.6 | 177.5 | 0 | 0 | 0 | 110.9 | I123 K129 R682 I685 L698 E699 | I123-I127 HydrophobicContact CG2-CD1 3.43Å; I123-I127 VanDerWaalsContact CG2-CD1 3.43Å; I123-I127 HydrophobicContact CG2-CG1 4.19Å; I123-I127 WeakPolarHBondContact O-CB 3.42Å; I123-I127 VanDerWaalsContact O-CG1 3.27Å; I123-I127 WeakPolarHBondContact O-CG1 3.38Å; I123-I127 PolarHBondContact O-N 2.95Å; I127-K129 VanDerWaalsContact C-N 3.33Å; I127-K129 HydrophobicContact CG2-CB 4.12Å; I127-R682 VanDerWaalsContact O-CD 3.29Å; I127-R682 WeakPolarHBondContact O-CD 3.43Å; I127-R682 PolarHBondContact O-NE 2.91Å; I127-I685 HydrophobicContact CG2-CD1 3.26Å; I127-L698 HydrophobicContact CD1-CB 3.58Å; I127-L698 HydrophobicContact CG1-CB 3.84Å; I127-L698 HydrophobicContact CG1-CD1 4.41Å; I127-L698 HydrophobicContact CG2-CB 4.46Å; I127-L698 HydrophobicContact CG2-CD1 4.02Å; I127-E699 HydrophobicContact CD1-CB 4.26Å |
| 128 | G | 85.3 | Confident | 86.1 | Confident | 17 Ų | 17 | 36.4 Ų | 36.4 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 24.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G124 V125 L126 | G124-G128 PolarHBondContact O-N 2.92Å; V125-G128 PolarHBondContact O-N 3.38Å; L126-G128 VanDerWaalsContact C-N 3.26Å; L126-G128 PolarHBondContact O-N 3.49Å |
| 129 | K | 84.6 | Confident | 86.7 | Confident | 30 Ų | 30 | 37.5 Ų | 37.5 | 13% | 0.13 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -145.6 | 129 | 176 | -167 | 176.3 | -166.3 | 162.3 | 0 | 110.1 | G124 I127 L131 E133 L134 S691 S695 | G124-K129 VanDerWaalsContact CA-O 3.23Å; G124-K129 WeakPolarHBondContact CA-O 3.29Å; G124-K129 PolarHBondContact O-N 3.01Å; G124-K129 VanDerWaalsContact O-N 3.1Å; I127-K129 VanDerWaalsContact C-N 3.33Å; I127-K129 HydrophobicContact CG2-CB 4.12Å; K129-L131 PolarHBondContact O-N 3.25Å; K129-E133 VanDerWaalsContact CE-OE2 3.24Å; K129-E133 WeakPolarHBondContact CE-OE2 3.47Å; K129-E133 WeakPolarHBondContact CG-OE2 3.45Å; K129-L134 HydrophobicContact CD-CD2 4.5Å; K129-S691 PolarHBondContact NZ-OG 3.29Å; K129-S695 WeakPolarHBondContact CD-OG 3.15Å |
| 130 | G | 80.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -68 | 128.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H132 E133 | G130-H132 PolarHBondContact O-N 3.5Å; G130-E133 VanDerWaalsContact O-CB 3.28Å; G130-E133 WeakPolarHBondContact O-CB 3.39Å; G130-E133 PolarHBondContact O-N 3.22Å | ||
| 131 | L | 87.3 | Confident | 87.6 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -27.4 | 177.7 | -59.7 | -172 | 0 | 0 | 0 | 112.6 | D120 I123 K129 E133 L134 D135 E699 | D120-L131 HydrophobicContact CB-CD1 3.87Å; I123-L131 HydrophobicContact CB-CD1 4.17Å; I123-L131 HydrophobicContact CG2-CD1 4Å; I123-L131 HydrophobicContact CG2-CD2 4.1Å; I123-L131 HydrophobicContact CG2-CG 4.43Å; K129-L131 PolarHBondContact O-N 3.25Å; L131-E133 PolarHBondContact O-N 3.36Å; L131-L134 HydrophobicContact CD2-CD1 3.97Å; L131-L134 WeakPolarHBondContact O-CA 3.4Å; L131-L134 WeakPolarHBondContact O-CB 3.31Å; L131-L134 PolarHBondContact O-N 3.24Å; L131-D135 PolarHBondContact O-N 3.01Å; L131-E699 HydrophobicContact CD1-CG 4.33Å; L131-E699 HydrophobicContact CD2-CB 4.29Å; L131-E699 HydrophobicContact CD2-CG 4.09Å |
| 132 | H | 83.1 | Confident | 88.1 | Confident | 89 Ų | 89 | 39.9 Ų | 39.9 | 41% | 0.412 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.7 | -27.7 | 171.9 | 71.5 | -87.3 | 0 | 0 | 0 | 112.9 | A83 G130 L134 D135 G136 | A83-H132 PolarHBondContact O-CE1 3.37Å; G130-H132 PolarHBondContact O-N 3.5Å; H132-L134 VanDerWaalsContact C-N 3.31Å; H132-D135 PolarHBondContact O-N 3.43Å; H132-G136 PolarHBondContact O-N 3.09Å |
| 133 | E | 84.9 | Confident | 88.4 | Confident | 45 Ų | 45 | 40.4 Ų | 40.4 | 21% | 0.21 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.2 | -37.6 | 173 | -59.8 | -165.5 | 151.1 | 0 | 0 | 110.2 | M1 K129 G130 L131 G136 I137 | M1-E133 PolarHBondContact N-OE1 3.1Å; K129-E133 VanDerWaalsContact CE-OE2 3.24Å; K129-E133 WeakPolarHBondContact CE-OE2 3.47Å; K129-E133 WeakPolarHBondContact CG-OE2 3.45Å; G130-E133 VanDerWaalsContact O-CB 3.28Å; G130-E133 WeakPolarHBondContact O-CB 3.39Å; G130-E133 PolarHBondContact O-N 3.22Å; L131-E133 PolarHBondContact O-N 3.36Å; E133-G136 PolarHBondContact O-N 3.24Å; E133-I137 WeakPolarHBondContact O-CG1 3.26Å; E133-I137 PolarHBondContact O-N 2.79Å |
| 134 | L | 87.3 | Confident | 88.5 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.4 | -39.5 | 175.4 | -54.7 | 177.1 | 0 | 0 | 0 | 111.5 | K129 L131 H132 G136 I137 V692 L696 | K129-L134 HydrophobicContact CD-CD2 4.5Å; L131-L134 HydrophobicContact CD2-CD1 3.97Å; L131-L134 WeakPolarHBondContact O-CA 3.4Å; L131-L134 WeakPolarHBondContact O-CB 3.31Å; L131-L134 PolarHBondContact O-N 3.24Å; H132-L134 VanDerWaalsContact C-N 3.31Å; L134-G136 VanDerWaalsContact C-N 3.26Å; L134-G136 PolarHBondContact O-N 2.9Å; L134-I137 HydrophobicContact CD2-CD1 4.12Å; L134-I137 WeakPolarHBondContact O-CB 3.24Å; L134-I137 PolarHBondContact O-N 2.99Å; L134-V692 HydrophobicContact CD2-CG1 4.46Å; L134-L696 HydrophobicContact CD1-CD2 4.11Å |
| 135 | D | 84.8 | Confident | 88.8 | Confident | 95 Ų | 95 | 43.3 Ų | 43.3 | 51% | 0.508 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.5 | -36.6 | 172.1 | -68.9 | -50.1 | 0 | 0 | 0 | 112.2 | L131 H132 I137 R146 | L131-D135 PolarHBondContact O-N 3.01Å; H132-D135 PolarHBondContact O-N 3.43Å; D135-I137 VanDerWaalsContact C-N 3.26Å; D135-I137 PolarHBondContact O-N 2.87Å; D135-R146 VanDerWaalsContact CG-NH1 3.32Å; D135-R146 IonicContact OD1-CZ 2.64Å; D135-R146 IonicContact OD1-NH1 2.67Å; D135-R146 PolarHBondContact OD1-NH1 3.41Å; D135-R146 IonicContact OD1-NH2 2.8Å; D135-R146 IonicContact OD2-NH1 3.67Å |
| 136 | G | 84.8 | Confident | 89.1 | Confident | 61 Ų | 61 | 42.3 Ų | 42.3 | 63% | 0.629 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -15.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | H132 E133 L134 N138 | H132-G136 PolarHBondContact O-N 3.09Å; E133-G136 PolarHBondContact O-N 3.24Å; L134-G136 VanDerWaalsContact C-N 3.26Å; L134-G136 PolarHBondContact O-N 2.9Å; G136-N138 PolarHBondContact O-N 3.12Å; G136-N138 VanDerWaalsContact O-N 3.17Å |
| 137 | I | 87.3 | Confident | 89.1 | Confident | 51 Ų | 51 | 46 Ų | 46 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | trans | -69.5 | 113.5 | 173.8 | -60.7 | 171.7 | 0 | 0 | 0 | 108 | E133 L134 D135 D139 V142 V692 | E133-I137 WeakPolarHBondContact O-CG1 3.26Å; E133-I137 PolarHBondContact O-N 2.79Å; L134-I137 HydrophobicContact CD2-CD1 4.12Å; L134-I137 WeakPolarHBondContact O-CB 3.24Å; L134-I137 PolarHBondContact O-N 2.99Å; D135-I137 VanDerWaalsContact C-N 3.26Å; D135-I137 PolarHBondContact O-N 2.87Å; I137-D139 HydrophobicContact CG2-CB 3.58Å; I137-D139 PolarHBondContact O-N 3.15Å; I137-V142 HydrophobicContact CG2-CG2 4.17Å; I137-V692 HydrophobicContact CD1-CG1 3.87Å; I137-V692 HydrophobicContact CD1-CG2 3.91Å | ||
| 138 | N | 87.5 | Confident | 89.2 | Confident | 149 Ų | 149 | 49.1 Ų | 49.1 | 80% | 0.797 | 27% | 0.268 | S | S | * | . | trans | -80.4 | 58 | 175.4 | -166.4 | 34.5 | 0 | 0 | 0 | 111.9 | G136 K143 | G136-N138 PolarHBondContact O-N 3.12Å; G136-N138 VanDerWaalsContact O-N 3.17Å; N138-K143 PolarHBondContact OD1-NZ 3.32Å | ||
| 139 | D | 90.5 | Very high | 89.5 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 31% | 0.31 | 26% | 0.262 | S | S | . | . | trans | -122 | 128.3 | 177 | -169.6 | -30.9 | 0 | 0 | 0 | 109.2 | I137 E141 V142 K143 | I137-D139 HydrophobicContact CG2-CB 3.58Å; I137-D139 PolarHBondContact O-N 3.15Å; D139-E141 WeakPolarHBondContact OD1-CB 3.46Å; D139-E141 PolarHBondContact OD1-N 3.32Å; D139-V142 HydrophobicContact CB-CB 4.23Å; D139-V142 HydrophobicContact CB-CG2 3.87Å; D139-K143 WeakPolarHBondContact O-CG 3.49Å; D139-K143 PolarHBondContact O-N 2.91Å | ||
| 140 | Q | 93.6 | Very high | 89.8 | Confident | 98 Ų | 98 | 49.9 Ų | 49.9 | 46% | 0.458 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71.9 | -31.4 | -179.2 | -168.3 | 61.5 | 45.8 | 0 | 0 | 112.3 | V142 K143 D144 Y451 | Q140-V142 VanDerWaalsContact C-N 3.35Å; Q140-K143 PolarHBondContact O-N 2.87Å; Q140-D144 PolarHBondContact NE2-OD1 3.44Å; Q140-D144 WeakPolarHBondContact O-CB 3.33Å; Q140-D144 PolarHBondContact O-N 3.02Å; Q140-Y451 VanDerWaalsContact CG-OH 3.27Å; Q140-Y451 WeakPolarHBondContact CG-OH 3.32Å |
| 141 | E | 95.2 | Very high | 90.2 | Very high | 20 Ų | 20 | 56.5 Ų | 56.5 | 9% | 0.093 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 177.6 | -170.1 | -177.4 | 165.2 | 0 | 0 | 110.6 | D139 K143 D144 F145 Y451 Y654 Y655 | D139-E141 WeakPolarHBondContact OD1-CB 3.46Å; D139-E141 PolarHBondContact OD1-N 3.32Å; E141-K143 VanDerWaalsContact C-N 3.35Å; E141-K143 PolarHBondContact O-N 3.43Å; E141-D144 PolarHBondContact O-N 3.05Å; E141-F145 VanDerWaalsContact O-CB 3.25Å; E141-F145 WeakPolarHBondContact O-CB 3.43Å; E141-F145 PolarHBondContact O-N 3.3Å; E141-Y451 HydrophobicContact CB-CD1 3.71Å; E141-Y451 HydrophobicContact CB-CE1 3.9Å; E141-Y451 HydrophobicContact CB-CG 4.06Å; E141-Y451 HydrophobicContact CG-CD1 3.88Å; E141-Y451 HydrophobicContact CG-CD2 4.09Å; E141-Y451 HydrophobicContact CG-CE1 4.45Å; E141-Y451 HydrophobicContact CG-CG 3.7Å; E141-Y654 WeakPolarHBondContact OE1-CA 3.38Å; E141-Y654 VanDerWaalsContact OE1-CB 3.3Å; E141-Y654 WeakPolarHBondContact OE1-CB 3.26Å; E141-Y655 HydrophobicContact CB-CD2 4.45Å; E141-Y655 HydrophobicContact CG-CD2 3.84Å; E141-Y655 HydrophobicContact CG-CE2 4.39Å; E141-Y655 PolarHBondContact OE1-N 2.73Å |
| 142 | V | 94.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 175.6 | 174.8 | 0 | 0 | 0 | 0 | 111 | I137 D139 Q140 R146 Y655 V692 L696 | I137-V142 HydrophobicContact CG2-CG2 4.17Å; D139-V142 HydrophobicContact CB-CB 4.23Å; D139-V142 HydrophobicContact CB-CG2 3.87Å; Q140-V142 VanDerWaalsContact C-N 3.35Å; V142-R146 VanDerWaalsContact O-CG 3.31Å; V142-R146 WeakPolarHBondContact O-CG 3.21Å; V142-R146 PolarHBondContact O-N 2.76Å; V142-Y655 HydrophobicContact CG2-CD2 4.26Å; V142-Y655 HydrophobicContact CG2-CE2 3.57Å; V142-V692 HydrophobicContact CG2-CG1 4.45Å; V142-L696 HydrophobicContact CG1-CD1 4.4Å; V142-L696 HydrophobicContact CG1-CD2 3.95Å; V142-L696 HydrophobicContact CG2-CD1 4.38Å |
| 143 | K | 93.1 | Very high | 90.6 | Very high | 81 Ų | 81 | 54.5 Ų | 54.5 | 35% | 0.352 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | -179.8 | -68.2 | 170.9 | -174.7 | 171.2 | 0 | 112.2 | N138 D139 Q140 E141 S147 | N138-K143 PolarHBondContact OD1-NZ 3.32Å; D139-K143 WeakPolarHBondContact O-CG 3.49Å; D139-K143 PolarHBondContact O-N 2.91Å; Q140-K143 PolarHBondContact O-N 2.87Å; E141-K143 VanDerWaalsContact C-N 3.35Å; E141-K143 PolarHBondContact O-N 3.43Å; K143-S147 WeakPolarHBondContact O-CB 3.27Å; K143-S147 PolarHBondContact O-N 3.49Å; K143-S147 PolarHBondContact O-OG 3.17Å |
| 144 | D | 94.8 | Very high | 90.6 | Very high | 55 Ų | 55 | 55.5 Ų | 55.5 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 178.9 | -76.2 | 5 | 0 | 0 | 0 | 110.3 | Q140 E141 S147 K148 Y451 K452 | Q140-D144 PolarHBondContact NE2-OD1 3.44Å; Q140-D144 WeakPolarHBondContact O-CB 3.33Å; Q140-D144 PolarHBondContact O-N 3.02Å; E141-D144 PolarHBondContact O-N 3.05Å; D144-S147 PolarHBondContact O-N 3.36Å; D144-K148 WeakPolarHBondContact O-CB 3.32Å; D144-K148 PolarHBondContact O-N 3.15Å; D144-Y451 HydrophobicContact CB-CE2 4.38Å; D144-Y451 PolarHBondContact OD2-OH 3.49Å; D144-K452 IonicContact OD2-NZ 3.77Å; D144-K452 PolarHBondContact OD2-NZ 3.49Å |
| 145 | F | 95.8 | Very high | 90.5 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 2% | 0.022 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.1 | -53.4 | 176.4 | 179.1 | -91.1 | 0 | 0 | 0 | 111.8 | E141 S147 K148 M149 Y655 D656 T660 L696 | E141-F145 VanDerWaalsContact O-CB 3.25Å; E141-F145 WeakPolarHBondContact O-CB 3.43Å; E141-F145 PolarHBondContact O-N 3.3Å; F145-S147 VanDerWaalsContact C-N 3.34Å; F145-S147 PolarHBondContact O-N 2.83Å; F145-K148 PolarHBondContact O-N 3.29Å; F145-M149 HydrophobicContact CD1-CG 3.92Å; F145-M149 HydrophobicContact CD2-CE 4.21Å; F145-M149 HydrophobicContact CD2-CG 4.34Å; F145-M149 HydrophobicContact CE1-CG 3.43Å; F145-M149 VanDerWaalsContact CE1-CG 3.43Å; F145-M149 HydrophobicContact CE2-CE 3.8Å; F145-M149 HydrophobicContact CE2-CG 3.93Å; F145-M149 HydrophobicContact CE2-SD 4.16Å; F145-M149 HydrophobicContact CG-CG 4.35Å; F145-M149 HydrophobicContact CZ-CE 4.19Å; F145-M149 HydrophobicContact CZ-CG 3.45Å; F145-M149 VanDerWaalsContact CZ-CG 3.45Å; F145-M149 HydrophobicContact CZ-SD 3.94Å; F145-M149 WeakPolarHBondContact O-CG 3.43Å; F145-M149 PolarHBondContact O-N 3.23Å; F145-Y655 VanDerWaalsContact CE2-O 3.24Å; F145-Y655 WeakPolarHBondContact CE2-O 3.42Å; F145-D656 HydrophobicContact CD2-CB 4Å; F145-T660 HydrophobicContact CE2-CG2 3.97Å; F145-T660 HydrophobicContact CZ-CG2 3.95Å; F145-L696 HydrophobicContact CD1-CB 3.93Å; F145-L696 HydrophobicContact CD1-CD1 4.3Å; F145-L696 HydrophobicContact CD1-CD2 4.36Å; F145-L696 HydrophobicContact CD1-CG 4.43Å; F145-L696 HydrophobicContact CE1-CB 3.65Å |
| 146 | R | 93.4 | Very high | 90.6 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | -178.9 | -69.9 | 178.9 | 76.2 | -150.1 | -3.9 | 111.6 | D135 V142 K148 M149 F150 L696 E699 | D135-R146 VanDerWaalsContact CG-NH1 3.32Å; D135-R146 IonicContact OD1-CZ 2.64Å; D135-R146 IonicContact OD1-NH1 2.67Å; D135-R146 PolarHBondContact OD1-NH1 3.41Å; D135-R146 IonicContact OD1-NH2 2.8Å; D135-R146 IonicContact OD2-NH1 3.67Å; V142-R146 VanDerWaalsContact O-CG 3.31Å; V142-R146 WeakPolarHBondContact O-CG 3.21Å; V142-R146 PolarHBondContact O-N 2.76Å; R146-K148 VanDerWaalsContact C-N 3.33Å; R146-K148 PolarHBondContact O-N 3.42Å; R146-M149 PolarHBondContact O-N 2.65Å; R146-F150 HydrophobicContact CB-CE1 4.31Å; R146-F150 HydrophobicContact CB-CZ 4.36Å; R146-F150 WeakPolarHBondContact O-CB 3.39Å; R146-F150 WeakPolarHBondContact O-CD1 3.35Å; R146-F150 WeakPolarHBondContact O-CG 3.36Å; R146-F150 PolarHBondContact O-N 2.94Å; R146-L696 HydrophobicContact CG-CD2 3.43Å; R146-L696 VanDerWaalsContact CG-CD2 3.43Å; R146-E699 IonicContact CZ-OE1 3.61Å; R146-E699 IonicContact CZ-OE2 3.87Å; R146-E699 IonicContact NE-OE1 2.71Å; R146-E699 PolarHBondContact NE-OE1 3.35Å; R146-E699 IonicContact NE-OE2 3.46Å; R146-E699 PolarHBondContact NE-OE2 2.9Å; R146-E699 IonicContact NH2-OE1 3.78Å; R146-E699 PolarHBondContact NH2-OE1 3.49Å; R146-E699 IonicContact NH2-OE2 3.67Å; R146-E699 PolarHBondContact NH2-OE2 2.74Å |
| 147 | S | 91.6 | Very high | 90.6 | Very high | 80 Ų | 80 | 53.6 Ų | 53.6 | 56% | 0.559 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -59.9 | -42.9 | 177.9 | -58.3 | 0 | 0 | 0 | 0 | 112 | K143 D144 F145 R151 | K143-S147 WeakPolarHBondContact O-CB 3.27Å; K143-S147 PolarHBondContact O-N 3.49Å; K143-S147 PolarHBondContact O-OG 3.17Å; D144-S147 PolarHBondContact O-N 3.36Å; F145-S147 VanDerWaalsContact C-N 3.34Å; F145-S147 PolarHBondContact O-N 2.83Å; S147-R151 PolarHBondContact O-N 2.88Å |
| 148 | K | 93.1 | Very high | 90.6 | Very high | 67 Ų | 67 | 55.5 Ų | 55.5 | 29% | 0.291 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.3 | -47.8 | 176.8 | -174.8 | -177.2 | -178.5 | -173.3 | 0 | 111.5 | D144 F145 R146 F150 R151 L152 D656 H661 | D144-K148 WeakPolarHBondContact O-CB 3.32Å; D144-K148 PolarHBondContact O-N 3.15Å; F145-K148 PolarHBondContact O-N 3.29Å; R146-K148 VanDerWaalsContact C-N 3.33Å; R146-K148 PolarHBondContact O-N 3.42Å; K148-F150 VanDerWaalsContact C-N 3.34Å; K148-F150 PolarHBondContact O-N 2.96Å; K148-R151 PolarHBondContact O-N 3.38Å; K148-L152 HydrophobicContact CG-CD1 4.4Å; K148-L152 WeakPolarHBondContact O-CG 3.32Å; K148-L152 PolarHBondContact O-N 3.46Å; K148-L152 VanDerWaalsContact O-N 3.16Å; K148-D656 WeakPolarHBondContact CD-OD2 3.44Å; K148-D656 IonicContact NZ-OD1 3.61Å; K148-D656 PolarHBondContact NZ-OD1 2.9Å; K148-D656 IonicContact NZ-OD2 3.05Å; K148-D656 PolarHBondContact NZ-OD2 3.12Å; K148-H661 PolarHBondContact NZ-NE2 2.81Å |
| 149 | M | 92.9 | Very high | 90.5 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.034 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 179.4 | -69.5 | -54.5 | 117.7 | 0 | 0 | 112 | F145 R146 R151 L152 S153 H661 L664 A700 | F145-M149 HydrophobicContact CD1-CG 3.92Å; F145-M149 HydrophobicContact CD2-CE 4.21Å; F145-M149 HydrophobicContact CD2-CG 4.34Å; F145-M149 HydrophobicContact CE1-CG 3.43Å; F145-M149 VanDerWaalsContact CE1-CG 3.43Å; F145-M149 HydrophobicContact CE2-CE 3.8Å; F145-M149 HydrophobicContact CE2-CG 3.93Å; F145-M149 HydrophobicContact CE2-SD 4.16Å; F145-M149 HydrophobicContact CG-CG 4.35Å; F145-M149 HydrophobicContact CZ-CE 4.19Å; F145-M149 HydrophobicContact CZ-CG 3.45Å; F145-M149 VanDerWaalsContact CZ-CG 3.45Å; F145-M149 HydrophobicContact CZ-SD 3.94Å; F145-M149 WeakPolarHBondContact O-CG 3.43Å; F145-M149 PolarHBondContact O-N 3.23Å; R146-M149 PolarHBondContact O-N 2.65Å; M149-R151 VanDerWaalsContact C-N 3.31Å; M149-R151 PolarHBondContact O-N 2.81Å; M149-L152 HydrophobicContact CE-CD1 3.98Å; M149-L152 PolarHBondContact O-N 3.29Å; M149-L152 VanDerWaalsContact O-N 3.16Å; M149-L152 HydrophobicContact SD-CD1 4.3Å; M149-S153 PolarHBondContact O-N 3.21Å; M149-S153 PolarHBondContact O-OG 3.11Å; M149-S153 VanDerWaalsContact O-OG 3.09Å; M149-H661 WeakPolarHBondContact CE-CE1 3.38Å; M149-L664 HydrophobicContact SD-CD1 3.77Å; M149-A700 HydrophobicContact CB-CB 3.8Å; M149-A700 HydrophobicContact CG-CB 3.88Å; M149-A700 HydrophobicContact SD-CB 4.34Å |
| 150 | F | 89.3 | Confident | 90.2 | Very high | 56 Ų | 56 | 53.6 Ų | 53.6 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 178.3 | -72.5 | 7.7 | 0 | 0 | 0 | 111.9 | R146 K148 S153 E154 E699 R703 | R146-F150 HydrophobicContact CB-CE1 4.31Å; R146-F150 HydrophobicContact CB-CZ 4.36Å; R146-F150 WeakPolarHBondContact O-CB 3.39Å; R146-F150 WeakPolarHBondContact O-CD1 3.35Å; R146-F150 WeakPolarHBondContact O-CG 3.36Å; R146-F150 PolarHBondContact O-N 2.94Å; K148-F150 VanDerWaalsContact C-N 3.34Å; K148-F150 PolarHBondContact O-N 2.96Å; F150-S153 PolarHBondContact O-N 3.47Å; F150-E154 WeakPolarHBondContact O-CB 3.42Å; F150-E154 PolarHBondContact O-N 3.13Å; F150-E699 HydrophobicContact CE1-CG 4.22Å; F150-E699 WeakPolarHBondContact CE1-OE1 3.48Å; F150-E699 WeakPolarHBondContact CZ-OE1 3.29Å; F150-R703 VanDerWaalsContact CD1-CD 3.42Å; F150-R703 VanDerWaalsContact CZ-NE 3.28Å |
| 151 | R | 89.5 | Confident | 89.8 | Confident | 140 Ų | 140 | 52.3 Ų | 52.3 | 53% | 0.528 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 176 | -172.7 | -175.3 | 66.4 | -164.8 | -2.5 | 111.5 | S147 K148 M149 E154 E155 | S147-R151 PolarHBondContact O-N 2.88Å; K148-R151 PolarHBondContact O-N 3.38Å; M149-R151 VanDerWaalsContact C-N 3.31Å; M149-R151 PolarHBondContact O-N 2.81Å; R151-E154 PolarHBondContact O-N 2.66Å; R151-E155 WeakPolarHBondContact CG-OE1 3.45Å; R151-E155 IonicContact NE-OE1 2.74Å; R151-E155 WeakPolarHBondContact O-CG 3.46Å; R151-E155 PolarHBondContact O-N 3.03Å |
| 152 | L | 89.4 | Confident | 89.4 | Confident | 53 Ų | 53 | 59.3 Ų | 59.3 | 28% | 0.277 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 179 | -67.2 | 174.3 | 0 | 0 | 0 | 112.1 | K148 M149 E154 E155 K156 | K148-L152 HydrophobicContact CG-CD1 4.4Å; K148-L152 WeakPolarHBondContact O-CG 3.32Å; K148-L152 PolarHBondContact O-N 3.46Å; K148-L152 VanDerWaalsContact O-N 3.16Å; M149-L152 HydrophobicContact CE-CD1 3.98Å; M149-L152 PolarHBondContact O-N 3.29Å; M149-L152 VanDerWaalsContact O-N 3.16Å; M149-L152 HydrophobicContact SD-CD1 4.3Å; L152-E154 VanDerWaalsContact C-N 3.31Å; L152-E154 PolarHBondContact O-N 2.83Å; L152-E155 PolarHBondContact O-N 2.97Å; L152-K156 WeakPolarHBondContact O-CB 3.32Å; L152-K156 PolarHBondContact O-N 3.22Å |
| 153 | S | 88.9 | Confident | 89.1 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62 | -38.8 | 174.8 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | M149 F150 K156 M157 A700 | M149-S153 PolarHBondContact O-N 3.21Å; M149-S153 PolarHBondContact O-OG 3.11Å; M149-S153 VanDerWaalsContact O-OG 3.09Å; F150-S153 PolarHBondContact O-N 3.47Å; S153-K156 PolarHBondContact O-N 2.96Å; S153-M157 WeakPolarHBondContact O-CG 3.33Å; S153-M157 PolarHBondContact O-N 3.21Å; S153-A700 PolarHBondContact OG-O 2.83Å |
| 154 | E | 84.6 | Confident | 89 | Confident | 66 Ų | 66 | 62.1 Ų | 62.1 | 31% | 0.308 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.6 | -49 | 176.8 | -175.3 | 173.1 | -161.6 | 0 | 0 | 112.4 | F150 R151 L152 K156 M157 Q158 | F150-E154 WeakPolarHBondContact O-CB 3.42Å; F150-E154 PolarHBondContact O-N 3.13Å; R151-E154 PolarHBondContact O-N 2.66Å; L152-E154 VanDerWaalsContact C-N 3.31Å; L152-E154 PolarHBondContact O-N 2.83Å; E154-K156 PolarHBondContact O-N 3.45Å; E154-M157 PolarHBondContact O-N 2.81Å; E154-M157 VanDerWaalsContact O-N 3.13Å; E154-Q158 WeakPolarHBondContact O-CG 3.19Å; E154-Q158 PolarHBondContact O-N 3.34Å |
| 155 | E | 87 | Confident | 88.7 | Confident | 85 Ų | 85 | 61.1 Ų | 61.1 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.5 | -36 | 174.8 | -72.8 | 170.8 | -166.4 | 0 | 0 | 111.6 | R151 L152 R159 | R151-E155 WeakPolarHBondContact CG-OE1 3.45Å; R151-E155 IonicContact NE-OE1 2.74Å; R151-E155 WeakPolarHBondContact O-CG 3.46Å; R151-E155 PolarHBondContact O-N 3.03Å; L152-E155 PolarHBondContact O-N 2.97Å; E155-R159 WeakPolarHBondContact O-CG 3.37Å; E155-R159 PolarHBondContact O-N 3.06Å; E155-R159 PolarHBondContact O-NE 2.94Å |
| 156 | K | 85.2 | Confident | 88.2 | Confident | 17 Ų | 17 | 66 Ų | 66 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.2 | -49.3 | 174.1 | -173.9 | -149.3 | 174 | -171.6 | 0 | 112.1 | L152 S153 E154 Q158 R159 M160 E668 G704 | L152-K156 WeakPolarHBondContact O-CB 3.32Å; L152-K156 PolarHBondContact O-N 3.22Å; S153-K156 PolarHBondContact O-N 2.96Å; E154-K156 PolarHBondContact O-N 3.45Å; K156-Q158 PolarHBondContact O-N 3.13Å; K156-R159 WeakPolarHBondContact O-CA 3.45Å; K156-R159 WeakPolarHBondContact O-CB 3.45Å; K156-R159 PolarHBondContact O-N 2.87Å; K156-M160 HydrophobicContact CD-SD 4.29Å; K156-M160 PolarHBondContact O-N 3.26Å; K156-E668 HydrophobicContact CD-CB 3.98Å; K156-E668 HydrophobicContact CD-CG 4.16Å; K156-E668 WeakPolarHBondContact CD-OE2 3.29Å; K156-E668 WeakPolarHBondContact CE-O 3.34Å; K156-E668 PolarHBondContact NZ-O 2.91Å; K156-G704 PolarHBondContact NZ-O 2.8Å |
| 157 | M | 86 | Confident | 87.9 | Confident | 15 Ų | 15 | 69.7 Ų | 69.7 | 7% | 0.074 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.7 | -39.5 | 179.4 | -76.4 | -171.8 | -67.6 | 0 | 0 | 111.7 | S153 E154 M160 Q161 I299 V303 I706 | S153-M157 WeakPolarHBondContact O-CG 3.33Å; S153-M157 PolarHBondContact O-N 3.21Å; E154-M157 PolarHBondContact O-N 2.81Å; E154-M157 VanDerWaalsContact O-N 3.13Å; M157-M160 PolarHBondContact O-N 3.4Å; M157-Q161 PolarHBondContact O-N 2.98Å; M157-Q161 VanDerWaalsContact O-N 3.09Å; M157-I299 HydrophobicContact CB-CG2 4Å; M157-I299 HydrophobicContact CG-CG2 4.28Å; M157-I299 HydrophobicContact SD-CG2 4.49Å; M157-V303 HydrophobicContact CB-CG2 3.87Å; M157-V303 HydrophobicContact CE-CG2 4.46Å; M157-V303 HydrophobicContact SD-CG2 4.37Å; M157-I706 HydrophobicContact SD-CD1 3.43Å; M157-I706 WeakPolarHBondContact SD-CD1 3.45Å; M157-I706 HydrophobicContact SD-CG1 4.08Å |
| 158 | Q | 85.9 | Confident | 87.8 | Confident | 92 Ų | 92 | 66 Ų | 66 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 173.7 | -70 | 174.6 | 3.2 | 0 | 0 | 111.9 | E154 K156 Q161 V303 | E154-Q158 WeakPolarHBondContact O-CG 3.19Å; E154-Q158 PolarHBondContact O-N 3.34Å; K156-Q158 PolarHBondContact O-N 3.13Å; Q158-Q161 PolarHBondContact O-N 2.74Å; Q158-V303 HydrophobicContact CG-CG1 4.2Å |
| 159 | R | 85.7 | Confident | 87.6 | Confident | 145 Ų | 145 | 63 Ų | 63 | 55% | 0.547 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 173.7 | -74 | -177.2 | -71.4 | 170.4 | -2.4 | 112.7 | E155 K156 Q161 M162 | E155-R159 WeakPolarHBondContact O-CG 3.37Å; E155-R159 PolarHBondContact O-N 3.06Å; E155-R159 PolarHBondContact O-NE 2.94Å; K156-R159 WeakPolarHBondContact O-CA 3.45Å; K156-R159 WeakPolarHBondContact O-CB 3.45Å; K156-R159 PolarHBondContact O-N 2.87Å; R159-Q161 VanDerWaalsContact C-N 3.3Å; R159-Q161 PolarHBondContact O-N 3.3Å; R159-M162 PolarHBondContact O-N 3.01Å; R159-M162 VanDerWaalsContact O-N 3.1Å |
| 160 | M | 84.9 | Confident | 87.1 | Confident | 21 Ų | 21 | 67 Ų | 67 | 10% | 0.103 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.1 | -35.9 | 177.7 | -69.8 | -177.1 | 71 | 0 | 0 | 112.4 | K156 M157 M162 M163 I299 | K156-M160 HydrophobicContact CD-SD 4.29Å; K156-M160 PolarHBondContact O-N 3.26Å; M157-M160 PolarHBondContact O-N 3.4Å; M160-M162 PolarHBondContact O-N 3.42Å; M160-M163 HydrophobicContact CG-SD 4.37Å; M160-M163 WeakPolarHBondContact O-CB 3.39Å; M160-M163 PolarHBondContact O-N 3.13Å; M160-M163 VanDerWaalsContact O-N 3.12Å; M160-I299 HydrophobicContact CB-CD1 4.28Å; M160-I299 HydrophobicContact CE-CD1 3.95Å; M160-I299 HydrophobicContact SD-CD1 4.33Å |
| 161 | Q | 84.5 | Confident | 86.6 | Confident | 71 Ų | 71 | 65.6 Ų | 65.6 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.6 | -19.2 | 175.3 | -72.4 | -177.9 | -46.6 | 0 | 0 | 113.6 | M157 Q158 R159 I299 S300 | M157-Q161 PolarHBondContact O-N 2.98Å; M157-Q161 VanDerWaalsContact O-N 3.09Å; Q158-Q161 PolarHBondContact O-N 2.74Å; R159-Q161 VanDerWaalsContact C-N 3.3Å; R159-Q161 PolarHBondContact O-N 3.3Å; Q161-I299 HydrophobicContact CG-CG2 3.84Å; Q161-S300 PolarHBondContact NE2-OG 3.24Å |
| 162 | M | 86.8 | Confident | 86.3 | Confident | 167 Ų | 167 | 59.8 Ų | 59.8 | 82% | 0.823 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -5.7 | 177.4 | -56.9 | -173.7 | 111.3 | 0 | 0 | 113 | R159 M160 | R159-M162 PolarHBondContact O-N 3.01Å; R159-M162 VanDerWaalsContact O-N 3.1Å; M160-M162 PolarHBondContact O-N 3.42Å |
| 163 | M | 88.9 | Confident | 86.1 | Confident | 66 Ų | 66 | 58.4 Ų | 58.4 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | trans | -71.7 | 144 | 179.9 | -71.4 | 179 | 171.6 | 0 | 0 | 111.6 | M160 E167 F292 | M160-M163 HydrophobicContact CG-SD 4.37Å; M160-M163 WeakPolarHBondContact O-CB 3.39Å; M160-M163 PolarHBondContact O-N 3.13Å; M160-M163 VanDerWaalsContact O-N 3.12Å; M163-E167 HydrophobicContact CB-CB 4.33Å; M163-F292 WeakPolarHBondContact O-CZ 3.47Å | ||
| 164 | T | 90.5 | Very high | 85.5 | Confident | 76 Ų | 76 | 59.9 Ų | 59.9 | 47% | 0.466 | 30% | 0.299 | S | S | . | . | trans | -73.6 | 160.4 | 165.3 | 64.7 | 0 | 0 | 0 | 0 | 110.9 | N166 E167 W168 | T164-N166 PolarHBondContact O-N 2.93Å; T164-E167 WeakPolarHBondContact CB-OE2 3.26Å; T164-E167 PolarHBondContact N-OE2 2.91Å; T164-E167 PolarHBondContact O-N 2.71Å; T164-E167 VanDerWaalsContact OG1-CG 3.29Å; T164-E167 WeakPolarHBondContact OG1-CG 3.48Å; T164-E167 PolarHBondContact OG1-N 3.38Å; T164-E167 PolarHBondContact OG1-OE2 3.45Å; T164-W168 PolarHBondContact O-N 3.05Å | ||
| 165 | C | 89.1 | Confident | 85.1 | Confident | 33 Ų | 33 | 57.9 Ų | 57.9 | 22% | 0.223 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.8 | -36.8 | 176.3 | -174.6 | 0 | 0 | 0 | 0 | 112.5 | W168 L169 F292 | C165-W168 PolarHBondContact O-N 3.47Å; C165-L169 WeakPolarHBondContact O-CB 3.44Å; C165-L169 PolarHBondContact O-N 2.69Å; C165-F292 HydrophobicContact CB-CD1 4.27Å; C165-F292 HydrophobicContact CB-CG 4.21Å |
| 166 | N | 86 | Confident | 84.9 | Confident | 107 Ų | 107 | 55.1 Ų | 55.1 | 57% | 0.572 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -69.7 | -43.4 | 178.2 | -75.2 | -15 | 0 | 0 | 0 | 112.6 | T164 W168 L169 Q170 | T164-N166 PolarHBondContact O-N 2.93Å; N166-W168 VanDerWaalsContact C-N 3.3Å; N166-W168 PolarHBondContact O-N 3.45Å; N166-L169 PolarHBondContact O-N 2.74Å; N166-Q170 WeakPolarHBondContact O-CG 3.48Å; N166-Q170 PolarHBondContact O-N 2.87Å |
| 167 | E | 86.6 | Confident | 84.7 | Confident | 97 Ų | 97 | 56.3 Ų | 56.3 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 174.9 | -71.4 | 165.2 | 143 | 0 | 0 | 111 | M163 T164 Q170 A171 | M163-E167 HydrophobicContact CB-CB 4.33Å; T164-E167 WeakPolarHBondContact CB-OE2 3.26Å; T164-E167 PolarHBondContact N-OE2 2.91Å; T164-E167 PolarHBondContact O-N 2.71Å; T164-E167 VanDerWaalsContact OG1-CG 3.29Å; T164-E167 WeakPolarHBondContact OG1-CG 3.48Å; T164-E167 PolarHBondContact OG1-N 3.38Å; T164-E167 PolarHBondContact OG1-OE2 3.45Å; E167-Q170 PolarHBondContact O-N 3.49Å; E167-A171 WeakPolarHBondContact O-CB 3.31Å; E167-A171 PolarHBondContact O-N 3.41Å |
| 168 | W | 89.3 | Confident | 84.1 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63 | -43.4 | 174.6 | 167.9 | 88.1 | 0 | 0 | 0 | 112.5 | T164 C165 N166 Q170 A171 C172 F173 I288 M291 F292 E295 | T164-W168 PolarHBondContact O-N 3.05Å; C165-W168 PolarHBondContact O-N 3.47Å; N166-W168 VanDerWaalsContact C-N 3.3Å; N166-W168 PolarHBondContact O-N 3.45Å; W168-Q170 VanDerWaalsContact C-N 3.34Å; W168-Q170 PolarHBondContact O-N 3.01Å; W168-A171 PolarHBondContact O-N 3.22Å; W168-C172 VanDerWaalsContact CD1-SG 3.57Å; W168-C172 PolarHBondContact NE1-SG 3.04Å; W168-C172 WeakPolarHBondContact O-CB 3.46Å; W168-C172 PolarHBondContact O-N 3.47Å; W168-C172 PolarHBondContact O-SG 3.2Å; W168-C172 VanDerWaalsContact O-SG 3.38Å; W168-F173 AromaticContact CH2-CE2 3.96Å; W168-F173 HydrophobicContact CH2-CE2 3.96Å; W168-F173 HydrophobicContact CZ2-CE2 4.27Å; W168-I288 HydrophobicContact CE3-CG2 4.45Å; W168-I288 HydrophobicContact CZ3-CG2 3.8Å; W168-M291 HydrophobicContact CH2-CB 3.58Å; W168-M291 HydrophobicContact CH2-CE 4.28Å; W168-M291 HydrophobicContact CZ2-CB 4.33Å; W168-M291 HydrophobicContact CZ3-CB 4.35Å; W168-F292 HydrophobicContact CB-CD2 3.61Å; W168-F292 HydrophobicContact CB-CE2 3.75Å; W168-F292 HydrophobicContact CD2-CB 4.17Å; W168-F292 AromaticContact CD2-CD2 3.7Å; W168-F292 HydrophobicContact CD2-CD2 3.7Å; W168-F292 HydrophobicContact CD2-CG 4.43Å; W168-F292 HydrophobicContact CE3-CB 3.88Å; W168-F292 HydrophobicContact CE3-CD2 4.05Å; W168-F292 HydrophobicContact CE3-CG 4.43Å; W168-F292 AromaticContact CG-CD2 3.49Å; W168-F292 HydrophobicContact CG-CD2 3.49Å; W168-F292 VanDerWaalsContact CG-CD2 3.49Å; W168-F292 HydrophobicContact CG-CE2 4.03Å; W168-F292 HydrophobicContact CH2-CB 4.49Å; W168-F292 HydrophobicContact CZ3-CB 4.05Å; W168-E295 HydrophobicContact CZ2-CG 4.28Å; W168-E295 PolarHBondContact NE1-OE2 3.42Å |
| 169 | L | 88.3 | Confident | 83 | Confident | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 177.5 | -178.8 | 67.2 | 0 | 0 | 0 | 110.6 | C165 N166 F173 V246 F255 I288 | C165-L169 WeakPolarHBondContact O-CB 3.44Å; C165-L169 PolarHBondContact O-N 2.69Å; N166-L169 PolarHBondContact O-N 2.74Å; L169-F173 HydrophobicContact CD1-CD2 3.8Å; L169-F173 HydrophobicContact CD1-CE2 4.47Å; L169-F173 HydrophobicContact CD1-CG 4.46Å; L169-F173 WeakPolarHBondContact O-CA 3.29Å; L169-F173 WeakPolarHBondContact O-CB 3.31Å; L169-F173 PolarHBondContact O-N 3.03Å; L169-V246 HydrophobicContact CD2-CG1 4.26Å; L169-F255 HydrophobicContact CD1-CD1 4.37Å; L169-F255 HydrophobicContact CD1-CD2 3.9Å; L169-F255 HydrophobicContact CD1-CE2 4.08Å; L169-F255 HydrophobicContact CD1-CG 4.05Å; L169-F255 HydrophobicContact CD1-CZ 4.39Å; L169-I288 HydrophobicContact CD1-CG2 4.01Å; L169-I288 HydrophobicContact CD2-CG2 4.3Å |
| 170 | Q | 82.1 | Confident | 81.3 | Confident | 90 Ų | 90 | 55.9 Ų | 55.9 | 42% | 0.421 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.9 | -36.8 | 176.6 | -72.9 | -179.6 | -15.2 | 0 | 0 | 112.7 | N166 E167 W168 S174 C257 | N166-Q170 WeakPolarHBondContact O-CG 3.48Å; N166-Q170 PolarHBondContact O-N 2.87Å; E167-Q170 PolarHBondContact O-N 3.49Å; W168-Q170 VanDerWaalsContact C-N 3.34Å; W168-Q170 PolarHBondContact O-N 3.01Å; Q170-S174 WeakPolarHBondContact O-CA 3.48Å; Q170-S174 WeakPolarHBondContact O-CB 3.23Å; Q170-S174 PolarHBondContact O-N 3.39Å; Q170-S174 PolarHBondContact O-OG 3.32Å; Q170-C257 HydrophobicContact CG-CB 4.43Å |
| 171 | A | 79.9 | Confident | 79.5 | Confident | 28 Ų | 28 | 58.6 Ų | 58.6 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -73.6 | -41.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E167 W168 | E167-A171 WeakPolarHBondContact O-CB 3.31Å; E167-A171 PolarHBondContact O-N 3.41Å; W168-A171 PolarHBondContact O-N 3.22Å |
| 172 | C | 83.3 | Confident | 77.4 | Confident | 17 Ų | 17 | 62.1 Ų | 62.1 | 12% | 0.115 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -82.8 | -27.6 | -175.8 | -64.9 | 0 | 0 | 0 | 0 | 113.3 | W168 R671 | W168-C172 VanDerWaalsContact CD1-SG 3.57Å; W168-C172 PolarHBondContact NE1-SG 3.04Å; W168-C172 WeakPolarHBondContact O-CB 3.46Å; W168-C172 PolarHBondContact O-N 3.47Å; W168-C172 PolarHBondContact O-SG 3.2Å; W168-C172 VanDerWaalsContact O-SG 3.38Å; C172-R671 PolarHBondContact SG-NH2 3.22Å |
| 173 | F | 84.2 | Confident | 75.1 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -134.5 | 49.2 | -175.7 | -54 | -86.3 | 0 | 0 | 0 | 110.8 | W168 L169 L253 F255 M291 | W168-F173 AromaticContact CH2-CE2 3.96Å; W168-F173 HydrophobicContact CH2-CE2 3.96Å; W168-F173 HydrophobicContact CZ2-CE2 4.27Å; L169-F173 HydrophobicContact CD1-CD2 3.8Å; L169-F173 HydrophobicContact CD1-CE2 4.47Å; L169-F173 HydrophobicContact CD1-CG 4.46Å; L169-F173 WeakPolarHBondContact O-CA 3.29Å; L169-F173 WeakPolarHBondContact O-CB 3.31Å; L169-F173 PolarHBondContact O-N 3.03Å; F173-L253 HydrophobicContact CD1-CB 4.25Å; F173-L253 WeakPolarHBondContact CD1-O 3.48Å; F173-L253 HydrophobicContact CE1-CB 3.91Å; F173-L253 HydrophobicContact CE1-CD1 4.17Å; F173-F255 HydrophobicContact CB-CD2 3.68Å; F173-F255 HydrophobicContact CB-CE2 4.28Å; F173-F255 HydrophobicContact CD1-CD2 4.13Å; F173-F255 AromaticContact CD1-CE2 3.95Å; F173-F255 HydrophobicContact CD1-CE2 3.95Å; F173-F255 HydrophobicContact CD2-CD2 4.34Å; F173-F255 HydrophobicContact CD2-CE2 4.19Å; F173-F255 HydrophobicContact CE1-CE2 4.31Å; F173-F255 AromaticContact CG-CD2 3.8Å; F173-F255 HydrophobicContact CG-CD2 3.8Å; F173-F255 AromaticContact CG-CE2 3.88Å; F173-F255 HydrophobicContact CG-CE2 3.88Å; F173-M291 HydrophobicContact CE2-CE 4.16Å; F173-M291 HydrophobicContact CZ-CE 3.78Å |
| 174 | S | 76.3 | Confident | 72.4 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 24% | 0.238 | 37% | 0.369 | C | S | . | . | trans | -50 | 133.9 | -175.9 | -50.7 | 0 | 0 | 0 | 0 | 112 | Q170 Q176 | Q170-S174 WeakPolarHBondContact O-CA 3.48Å; Q170-S174 WeakPolarHBondContact O-CB 3.23Å; Q170-S174 PolarHBondContact O-N 3.39Å; Q170-S174 PolarHBondContact O-OG 3.32Å; S174-Q176 PolarHBondContact O-N 2.98Å | ||
| 175 | P | 77.4 | Confident | 69.8 | Low | 24 Ų | 24 | 63.4 Ų | 63.4 | 16% | 0.156 | 38% | 0.379 | C | S | . | . | trans | -65.9 | 129.2 | -179.5 | 28.4 | -32.6 | 0 | 0 | 0 | 108.8 | L177 Y265 | P175-L177 HydrophobicContact CB-CD2 4.26Å; P175-L177 HydrophobicContact CB-CG 4.23Å; P175-L177 HydrophobicContact CG-CD1 4.35Å; P175-L177 HydrophobicContact CG-CG 4.33Å; P175-L177 PolarHBondContact O-N 3.28Å; P175-L177 VanDerWaalsContact O-N 3.13Å; P175-Y265 HydrophobicContact CB-CD1 4.13Å; P175-Y265 HydrophobicContact CB-CE1 3.63Å | ||
| 176 | Q | 81.4 | Confident | 67.3 | Low | 26 Ų | 26 | 66 Ų | 66 | 12% | 0.121 | 39% | 0.394 | C | S | . | . | trans | -79.3 | 100 | 175.3 | -69.5 | 174.7 | 54.8 | 0 | 0 | 108 | S174 E254 K266 | S174-Q176 PolarHBondContact O-N 2.98Å; Q176-E254 PolarHBondContact NE2-OE2 2.63Å; Q176-K266 HydrophobicContact CB-CB 3.93Å; Q176-K266 HydrophobicContact CB-CD 4.29Å; Q176-K266 VanDerWaalsContact O-CB 3.31Å; Q176-K266 WeakPolarHBondContact O-CB 3.37Å; Q176-K266 PolarHBondContact O-N 3.36Å | ||
| 177 | L | 82.4 | Confident | 65 | Low | 43 Ų | 43 | 68.9 Ų | 68.9 | 23% | 0.225 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -101.3 | 138.5 | -178 | -60.5 | 175.2 | 0 | 0 | 0 | 110.1 | P175 H260 Q264 Y265 | P175-L177 HydrophobicContact CB-CD2 4.26Å; P175-L177 HydrophobicContact CB-CG 4.23Å; P175-L177 HydrophobicContact CG-CD1 4.35Å; P175-L177 HydrophobicContact CG-CG 4.33Å; P175-L177 PolarHBondContact O-N 3.28Å; P175-L177 VanDerWaalsContact O-N 3.13Å; L177-H260 HydrophobicContact CD2-CB 4.19Å; L177-Q264 WeakPolarHBondContact CA-O 3.23Å; L177-Q264 HydrophobicContact CD2-CB 4.29Å; L177-Y265 HydrophobicContact CD2-CD1 3.84Å; L177-Y265 HydrophobicContact CD2-CD2 4.42Å; L177-Y265 HydrophobicContact CD2-CE1 3.85Å; L177-Y265 HydrophobicContact CD2-CE2 4.44Å; L177-Y265 HydrophobicContact CD2-CG 4.14Å |
| 178 | E | 73.7 | Confident | 62.3 | Low | 64 Ų | 64 | 67 Ų | 67 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -96.6 | 143.2 | 170.4 | -67.8 | -73.4 | 167.8 | 0 | 0 | 109.4 | Q264 K266 | E178-Q264 PolarHBondContact N-O 3.24Å; E178-K266 HydrophobicContact CG-CB 4.14Å; E178-K266 HydrophobicContact CG-CG 4.35Å |
| 179 | P | 62.8 | Low | 59.6 | Low | 96 Ų | 96 | 74.8 Ų | 74.8 | 62% | 0.623 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -52 | 142.6 | -179.8 | -25.2 | 32.2 | 0 | 0 | 0 | 112.9 | A181 | P179-A181 VanDerWaalsContact C-N 3.26Å; P179-A181 PolarHBondContact O-N 3.32Å |
| 180 | A | 50.1 | Low | 57 | Low | 82 Ų | 82 | 81.8 Ų | 81.8 | 68% | 0.678 | 49% | 0.494 | S | S | * | . | trans | -79.4 | 70.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 181 | A | 45.7 | Very low | 54.8 | Low | 78 Ų | 78 | 83.4 Ų | 83.4 | 65% | 0.645 | 51% | 0.506 | S | S | * | . | trans | -124.2 | 115.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | P179 | P179-A181 VanDerWaalsContact C-N 3.26Å; P179-A181 PolarHBondContact O-N 3.32Å | ||
| 182 | L | 42 | Very low | 53 | Low | 145 Ų | 145 | 86.8 Ų | 86.8 | 76% | 0.759 | 53% | 0.525 | S | S | * | . | trans | 35.5 | 77.6 | 158.7 | -73 | 143 | 0 | 0 | 0 | 116.6 | T184 | L182-T184 VanDerWaalsContact C-N 3.25Å; L182-T184 PolarHBondContact O-N 3.3Å | ||
| 183 | T | 37.4 | Very low | 51.7 | Low | 118 Ų | 118 | 89.9 Ų | 89.9 | 72% | 0.724 | 55% | 0.546 | S | S | * | . | trans | -56.3 | 92 | 148 | 44.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 184 | T | 32 | Very low | 50.8 | Low | 106 Ų | 106 | 91.5 Ų | 91.5 | 65% | 0.65 | 56% | 0.564 | S | S | * | * | trans | -126.5 | 59.4 | 148.5 | 46.4 | 0 | 0 | 0 | 0 | 108.3 | L182 | L182-T184 VanDerWaalsContact C-N 3.25Å; L182-T184 PolarHBondContact O-N 3.3Å | ||
| 185 | T | 36.6 | Very low | 51 | Low | 112 Ų | 112 | 96.9 Ų | 96.9 | 69% | 0.687 | 59% | 0.585 | S | S | * | * | trans | -114.8 | 64.4 | 150.8 | 30.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 186 | T | 36.7 | Very low | 51.4 | Low | 87 Ų | 87 | 95.9 Ų | 95.9 | 53% | 0.534 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -123.9 | 122.8 | 142.5 | 43.2 | 0 | 0 | 0 | 0 | 105.6 | G188 | T186-G188 PolarHBondContact O-N 3.14Š|
| 187 | D | 36.8 | Very low | 51.9 | Low | 169 Ų | 169 | 100.1 Ų | 100.1 | 90% | 0.904 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -47.6 | 123.8 | 161.9 | -92.1 | -40.2 | 0 | 0 | 0 | 108.8 | ||
| 188 | G | 29.7 | Very low | 52.5 | Low | 57 Ų | 57 | 98.1 Ų | 98.1 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 78.9 | 144.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | T186 | T186-G188 PolarHBondContact O-N 3.14Š|
| 189 | L | 32.9 | Very low | 53.5 | Low | 164 Ų | 164 | 96.3 Ų | 96.3 | 86% | 0.859 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -53.4 | 139.7 | 176.9 | -72.5 | 101.9 | 0 | 0 | 0 | 113.1 | ||
| 190 | N | 33.6 | Very low | 54.9 | Low | 152 Ų | 152 | 91.8 Ų | 91.8 | 81% | 0.813 | 55% | 0.548 | S | S | * | . | trans | 77.1 | 44.5 | 159.6 | -57.3 | -30.8 | 0 | 0 | 0 | 119.5 | ||||
| 191 | D | 36.8 | Very low | 56.9 | Low | 124 Ų | 124 | 89.7 Ų | 89.7 | 66% | 0.663 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -91.2 | 138.3 | 163.8 | -101 | -16.7 | 0 | 0 | 0 | 112.6 | ||
| 192 | P | 41.3 | Very low | 58.8 | Low | 99 Ų | 99 | 86.6 Ų | 86.6 | 64% | 0.643 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 160.3 | 178.2 | 26.2 | -32.5 | 0 | 0 | 0 | 111.9 | A194 | P192-A194 PolarHBondContact O-N 2.81Å; P192-A194 VanDerWaalsContact O-N 3.11Å |
| 193 | P | 55.3 | Low | 60.3 | Low | 83 Ų | 83 | 82.5 Ų | 82.5 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -55.3 | 122.6 | -179.6 | 21.9 | -32.4 | 0 | 0 | 0 | 110.3 | E195 | P193-E195 PolarHBondContact O-N 2.74Å; P193-E195 VanDerWaalsContact O-N 3.17Å |
| 194 | A | 65.4 | Low | 62 | Low | 59 Ų | 59 | 85.9 Ų | 85.9 | 49% | 0.488 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -49.9 | 122 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P192 L196 S215 | P192-A194 PolarHBondContact O-N 2.81Å; P192-A194 VanDerWaalsContact O-N 3.11Å; A194-L196 PolarHBondContact O-N 3.42Å; A194-S215 PolarHBondContact O-N 2.9Å; A194-S215 PolarHBondContact O-OG 3.39Å |
| 195 | E | 80.4 | Confident | 64 | Low | 146 Ų | 146 | 82.5 Ų | 82.5 | 68% | 0.682 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 115.3 | 171.2 | -78.4 | -166.7 | 167.5 | 0 | 0 | 108.9 | P193 K212 | P193-E195 PolarHBondContact O-N 2.74Å; P193-E195 VanDerWaalsContact O-N 3.17Å; E195-K212 IonicContact OE2-NZ 3.16Å |
| 196 | L | 86.9 | Confident | 65.8 | Low | 4 Ų | 4 | 84.7 Ų | 84.7 | 2% | 0.021 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 121.6 | 176.8 | -179.7 | 70.3 | 0 | 0 | 0 | 109.5 | A194 V198 K212 V213 L262 I268 L272 P278 | A194-L196 PolarHBondContact O-N 3.42Å; L196-V198 HydrophobicContact CD2-CG2 3.49Å; L196-V198 VanDerWaalsContact CD2-CG2 3.49Å; L196-V198 HydrophobicContact CG-CG2 3.62Å; L196-K212 WeakPolarHBondContact O-CA 3.18Å; L196-V213 HydrophobicContact CB-CG2 4.12Å; L196-V213 HydrophobicContact CD2-CG2 4.3Å; L196-V213 HydrophobicContact CG-CG2 4.49Å; L196-V213 PolarHBondContact N-O 3.03Å; L196-V213 PolarHBondContact O-N 3.14Å; L196-L262 HydrophobicContact CD2-CD1 4.26Å; L196-I268 HydrophobicContact CD1-CG2 4.41Å; L196-I268 HydrophobicContact CD2-CG2 3.76Å; L196-L272 HydrophobicContact CD1-CD1 4.05Å; L196-L272 HydrophobicContact CD1-CD2 3.4Å; L196-L272 HydrophobicContact CD1-CG 3.63Å; L196-P278 HydrophobicContact CD1-CG 3.93Å; L196-P278 HydrophobicContact CD2-CG 4.41Å; L196-P278 HydrophobicContact CG-CG 4.46Å |
| 197 | K | 92.4 | Very high | 67.9 | Low | 115 Ų | 115 | 84.3 Ų | 84.3 | 50% | 0.5 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 107.3 | 169.3 | -174.5 | -175.4 | 177.9 | -175 | 0 | 109.5 | S210 L211 P277 P278 | K197-S210 WeakPolarHBondContact CE-OG 3.23Å; K197-S210 VanDerWaalsContact CG-OG 3.3Å; K197-S210 WeakPolarHBondContact CG-OG 3.46Å; K197-L211 CarbonylContact C-O 3.54Å; K197-L211 WeakPolarHBondContact CA-O 3.1Å; K197-P277 WeakPolarHBondContact O-CA 3.48Å; K197-P277 VanDerWaalsContact O-CB 3.24Å; K197-P277 WeakPolarHBondContact O-CB 3.4Å; K197-P278 VanDerWaalsContact O-CD 3.29Å; K197-P278 WeakPolarHBondContact O-CD 3.11Å |
| 198 | V | 93.8 | Very high | 70.4 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 140.1 | 177 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | L196 I200 S210 L211 V213 L222 L280 | L196-V198 HydrophobicContact CD2-CG2 3.49Å; L196-V198 VanDerWaalsContact CD2-CG2 3.49Å; L196-V198 HydrophobicContact CG-CG2 3.62Å; V198-I200 HydrophobicContact CG1-CD1 3.63Å; V198-I200 HydrophobicContact CG1-CG1 4.37Å; V198-S210 CarbonylContact O-C 3.5Å; V198-S210 WeakPolarHBondContact O-CA 3.48Å; V198-L211 PolarHBondContact N-O 3.33Å; V198-L211 PolarHBondContact O-N 2.98Å; V198-V213 HydrophobicContact CG2-CG2 3.85Å; V198-L222 HydrophobicContact CG1-CD2 4.32Å; V198-L280 HydrophobicContact CG1-CD1 3.9Å; V198-L280 HydrophobicContact CG1-CG 4.16Å |
| 199 | I | 94.2 | Very high | 73.3 | Confident | 27 Ų | 27 | 78.3 Ų | 78.3 | 14% | 0.138 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 118.4 | 170.9 | -63.9 | 168.9 | 0 | 0 | 0 | 107.7 | P277 P278 H279 L280 | I199-P277 HydrophobicContact CD1-CB 3.87Å; I199-P277 HydrophobicContact CD1-CG 3.6Å; I199-P277 HydrophobicContact CG1-CB 4.11Å; I199-P277 HydrophobicContact CG1-CG 4.4Å; I199-P278 PolarHBondContact N-O 2.86Å; I199-H279 WeakPolarHBondContact CD1-CE1 3.45Å; I199-H279 WeakPolarHBondContact O-CA 3.32Å; I199-L280 PolarHBondContact O-N 3.27Å |
| 200 | I | 93.2 | Very high | 76.1 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.3 | 177.8 | -54.7 | -61.3 | 0 | 0 | 0 | 109.4 | V198 F202 S208 T209 L211 L222 A226 L247 L280 L282 | V198-I200 HydrophobicContact CG1-CD1 3.63Å; V198-I200 HydrophobicContact CG1-CG1 4.37Å; I200-F202 HydrophobicContact CG2-CE1 4.48Å; I200-F202 HydrophobicContact CG2-CE2 4.27Å; I200-F202 HydrophobicContact CG2-CZ 4.09Å; I200-S208 CarbonylContact O-C 3.58Å; I200-S208 VanDerWaalsContact O-CA 3.23Å; I200-S208 WeakPolarHBondContact O-CA 3.47Å; I200-S208 WeakPolarHBondContact O-CB 3.5Å; I200-T209 HydrophobicContact CB-CG2 4.13Å; I200-T209 PolarHBondContact N-O 3.27Å; I200-T209 PolarHBondContact O-N 3.47Å; I200-L211 HydrophobicContact CG1-CD1 3.69Å; I200-L211 HydrophobicContact CG1-CG 4.28Å; I200-L222 HydrophobicContact CD1-CD1 4.35Å; I200-L222 HydrophobicContact CD1-CD2 4.39Å; I200-L222 HydrophobicContact CD1-CG 4.42Å; I200-A226 HydrophobicContact CB-CB 4.48Å; I200-A226 HydrophobicContact CG1-CB 4.08Å; I200-A226 HydrophobicContact CG2-CB 4.05Å; I200-L247 HydrophobicContact CD1-CD2 4.28Å; I200-L280 CarbonylContact C-O 3.47Å; I200-L280 WeakPolarHBondContact CA-O 3.5Å; I200-L280 HydrophobicContact CD1-CB 3.96Å; I200-L280 HydrophobicContact CD1-CD1 4.35Å; I200-L282 HydrophobicContact CG2-CD1 3.83Å; I200-L282 HydrophobicContact CG2-CG 3.94Å |
| 201 | H | 90.9 | Very high | 78.9 | Confident | 39 Ų | 39 | 66 Ų | 66 | 18% | 0.181 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 153.7 | 169 | -56.2 | -91.5 | 0 | 0 | 0 | 109.7 | S208 S250 H279 L280 T281 L282 | H201-S208 WeakPolarHBondContact ND1-CB 3.3Å; H201-S250 PolarHBondContact CD2-OG 3.06Å; H201-H279 AromaticContact NE2-ND1 3.28Å; H201-H279 PolarHBondContact NE2-ND1 3.45Å; H201-L280 PolarHBondContact CD2-O 3.44Å; H201-L280 PolarHBondContact N-O 3.45Å; H201-T281 HydrophobicContact CB-CG2 4.32Å; H201-T281 CarbonylContact O-C 3.59Å; H201-T281 WeakPolarHBondContact O-CA 3.4Å; H201-L282 PolarHBondContact O-N 2.95Å |
| 202 | F | 86.1 | Confident | 81.5 | Confident | 12 Ų | 12 | 67.3 Ų | 67.3 | 5% | 0.053 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.7 | 178.4 | -63.3 | -90.3 | 0 | 0 | 0 | 109.3 | I200 Q204 S205 T209 W230 L282 | I200-F202 HydrophobicContact CG2-CE1 4.48Å; I200-F202 HydrophobicContact CG2-CE2 4.27Å; I200-F202 HydrophobicContact CG2-CZ 4.09Å; F202-Q204 PolarHBondContact O-N 2.98Å; F202-S205 PolarHBondContact O-N 3.29Å; F202-T209 HydrophobicContact CE2-CG2 3.94Å; F202-T209 HydrophobicContact CZ-CG2 4.15Å; F202-W230 HydrophobicContact CB-CE3 4.36Å; F202-W230 HydrophobicContact CB-CH2 4.15Å; F202-W230 HydrophobicContact CB-CZ2 4.29Å; F202-W230 HydrophobicContact CB-CZ3 4.17Å; F202-W230 HydrophobicContact CD1-CB 4.16Å; F202-W230 AromaticContact CD1-CD2 3.56Å; F202-W230 HydrophobicContact CD1-CD2 3.56Å; F202-W230 AromaticContact CD1-CE3 3.76Å; F202-W230 HydrophobicContact CD1-CE3 3.76Å; F202-W230 AromaticContact CD1-CG 3.74Å; F202-W230 HydrophobicContact CD1-CG 3.74Å; F202-W230 HydrophobicContact CD1-CZ3 4.41Å; F202-W230 AromaticContact CD2-CD2 3.95Å; F202-W230 HydrophobicContact CD2-CD2 3.95Å; F202-W230 AromaticContact CD2-CE3 3.23Å; F202-W230 HydrophobicContact CD2-CE3 3.23Å; F202-W230 HydrophobicContact CD2-CH2 4.21Å; F202-W230 AromaticContact CD2-CZ3 3.39Å; F202-W230 HydrophobicContact CD2-CZ3 3.39Å; F202-W230 HydrophobicContact CE1-CB 3.38Å; F202-W230 AromaticContact CE1-CD2 3.65Å; F202-W230 HydrophobicContact CE1-CD2 3.65Å; F202-W230 AromaticContact CE1-CE3 3.8Å; F202-W230 HydrophobicContact CE1-CE3 3.8Å; F202-W230 AromaticContact CE1-CG 3.48Å; F202-W230 HydrophobicContact CE1-CG 3.48Å; F202-W230 VanDerWaalsContact CE1-CG 3.48Å; F202-W230 HydrophobicContact CE2-CB 4.49Å; F202-W230 HydrophobicContact CE2-CD2 4.05Å; F202-W230 AromaticContact CE2-CE3 3.29Å; F202-W230 HydrophobicContact CE2-CE3 3.29Å; F202-W230 AromaticContact CE2-CZ3 3.85Å; F202-W230 HydrophobicContact CE2-CZ3 3.85Å; F202-W230 AromaticContact CG-CD2 3.72Å; F202-W230 HydrophobicContact CG-CD2 3.72Å; F202-W230 AromaticContact CG-CE3 3.49Å; F202-W230 HydrophobicContact CG-CE3 3.49Å; F202-W230 VanDerWaalsContact CG-CE3 3.49Å; F202-W230 HydrophobicContact CG-CG 4.39Å; F202-W230 HydrophobicContact CG-CH2 4.15Å; F202-W230 HydrophobicContact CG-CZ2 4.34Å; F202-W230 AromaticContact CG-CZ3 3.72Å; F202-W230 HydrophobicContact CG-CZ3 3.72Å; F202-W230 HydrophobicContact CZ-CB 3.6Å; F202-W230 AromaticContact CZ-CD2 3.91Å; F202-W230 HydrophobicContact CZ-CD2 3.91Å; F202-W230 AromaticContact CZ-CE3 3.59Å; F202-W230 HydrophobicContact CZ-CE3 3.59Å; F202-W230 AromaticContact CZ-CG 3.95Å; F202-W230 HydrophobicContact CZ-CG 3.95Å; F202-L282 HydrophobicContact CD1-CB 4.35Å; F202-L282 HydrophobicContact CD1-CD1 3.86Å; F202-L282 HydrophobicContact CE1-CD1 3.37Å; F202-L282 HydrophobicContact CZ-CD1 4.15Å |
| 203 | D | 74.6 | Confident | 83.9 | Confident | 60 Ų | 60 | 62.9 Ų | 62.9 | 32% | 0.321 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 136.5 | -179.3 | -163.2 | 20 | 0 | 0 | 0 | 110.3 | S205 T281 L282 | D203-S205 PolarHBondContact O-N 3.39Å; D203-T281 HydrophobicContact CB-CG2 4.42Å; D203-L282 VanDerWaalsContact CB-O 3.31Å; D203-L282 WeakPolarHBondContact CB-O 3.38Å; D203-L282 PolarHBondContact N-O 3.25Å; D203-L282 VanDerWaalsContact N-O 3.16Å |
| 204 | Q | 71.8 | Confident | 85.5 | Confident | 188 Ų | 188 | 60 Ų | 60 | 88% | 0.879 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 2.3 | -175.7 | -47.2 | 177.5 | 1.3 | 0 | 0 | 116.9 | F202 | F202-Q204 PolarHBondContact O-N 2.98Š|
| 205 | S | 74.8 | Confident | 86.5 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | trans | -108.7 | 154.4 | 169.2 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | F202 D203 D207 | F202-S205 PolarHBondContact O-N 3.29Å; D203-S205 PolarHBondContact O-N 3.39Å; S205-D207 VanDerWaalsContact C-N 3.29Å; S205-D207 WeakPolarHBondContact OG-CB 3.43Å; S205-D207 PolarHBondContact OG-N 3.41Å; S205-D207 PolarHBondContact OG-OD2 2.89Å | ||
| 206 | Q | 74.3 | Confident | 86.9 | Confident | 157 Ų | 157 | 54.2 Ų | 54.2 | 73% | 0.734 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -85.5 | -5.7 | 166.5 | -64.6 | -62 | -46.9 | 0 | 0 | 112.2 | N805 | Q206-N805 PolarHBondContact NE2-ND2 3.13Š|
| 207 | D | 80.8 | Confident | 87.1 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 43% | 0.428 | 30% | 0.297 | S | S | . | . | trans | -77.8 | 143.2 | -177.8 | -61.4 | -46.9 | 0 | 0 | 0 | 111.8 | S205 W230 H234 | S205-D207 VanDerWaalsContact C-N 3.29Å; S205-D207 WeakPolarHBondContact OG-CB 3.43Å; S205-D207 PolarHBondContact OG-N 3.41Å; S205-D207 PolarHBondContact OG-OD2 2.89Å; D207-W230 HydrophobicContact CB-CH2 4Å; D207-W230 HydrophobicContact CB-CZ3 3.72Å; D207-H234 IonicContact OD2-NE2 3.84Å | ||
| 208 | S | 88.4 | Confident | 87.1 | Confident | 71 Ų | 71 | 52.9 Ų | 52.9 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 152.4 | 172.4 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | I200 H201 | I200-S208 CarbonylContact O-C 3.58Å; I200-S208 VanDerWaalsContact O-CA 3.23Å; I200-S208 WeakPolarHBondContact O-CA 3.47Å; I200-S208 WeakPolarHBondContact O-CB 3.5Å; H201-S208 WeakPolarHBondContact ND1-CB 3.3Å |
| 209 | T | 90.4 | Very high | 87 | Confident | 28 Ų | 28 | 53 Ų | 53 | 17% | 0.172 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.5 | 177.2 | -159.9 | 0 | 0 | 0 | 0 | 111 | I200 F202 L211 K229 | I200-T209 HydrophobicContact CB-CG2 4.13Å; I200-T209 PolarHBondContact N-O 3.27Å; I200-T209 PolarHBondContact O-N 3.47Å; F202-T209 HydrophobicContact CE2-CG2 3.94Å; F202-T209 HydrophobicContact CZ-CG2 4.15Å; T209-L211 HydrophobicContact CG2-CD2 4.41Å; T209-L211 HydrophobicContact CG2-CG 4.38Å; T209-K229 HydrophobicContact CG2-CD 4.21Å; T209-K229 WeakPolarHBondContact OG1-CD 3.3Å; T209-K229 VanDerWaalsContact OG1-CE 3.24Å; T209-K229 WeakPolarHBondContact OG1-CE 3.45Å; T209-K229 PolarHBondContact OG1-NZ 3.39Å |
| 210 | S | 92.1 | Very high | 86.8 | Confident | 46 Ų | 46 | 54.8 Ų | 54.8 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131 | 172.8 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | K197 V198 K229 | K197-S210 WeakPolarHBondContact CE-OG 3.23Å; K197-S210 VanDerWaalsContact CG-OG 3.3Å; K197-S210 WeakPolarHBondContact CG-OG 3.46Å; V198-S210 CarbonylContact O-C 3.5Å; V198-S210 WeakPolarHBondContact O-CA 3.48Å; S210-K229 PolarHBondContact O-NZ 2.96Å |
| 211 | L | 92.3 | Very high | 86.7 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 7% | 0.068 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.8 | 175.3 | -59.7 | 177.2 | 0 | 0 | 0 | 109.4 | K197 V198 I200 T209 V213 L222 A226 K229 | K197-L211 CarbonylContact C-O 3.54Å; K197-L211 WeakPolarHBondContact CA-O 3.1Å; V198-L211 PolarHBondContact N-O 3.33Å; V198-L211 PolarHBondContact O-N 2.98Å; I200-L211 HydrophobicContact CG1-CD1 3.69Å; I200-L211 HydrophobicContact CG1-CG 4.28Å; T209-L211 HydrophobicContact CG2-CD2 4.41Å; T209-L211 HydrophobicContact CG2-CG 4.38Å; L211-V213 HydrophobicContact CB-CG1 4.1Å; L211-L222 HydrophobicContact CD1-CD1 3.92Å; L211-A226 HydrophobicContact CD1-CB 3.74Å; L211-K229 HydrophobicContact CD2-CD 3.45Å; L211-K229 VanDerWaalsContact CD2-CD 3.45Å |
| 212 | K | 91.8 | Very high | 86.7 | Confident | 151 Ų | 151 | 56.9 Ų | 56.9 | 66% | 0.657 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.2 | 166.3 | -68.1 | -173.9 | 173.8 | -165.8 | 0 | 107.6 | E195 L196 | E195-K212 IonicContact OE2-NZ 3.16Å; L196-K212 WeakPolarHBondContact O-CA 3.18Å |
| 213 | V | 91.7 | Very high | 86.9 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 4% | 0.036 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 160.9 | -174.2 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | L196 V198 L211 W217 L222 L262 | L196-V213 HydrophobicContact CB-CG2 4.12Å; L196-V213 HydrophobicContact CD2-CG2 4.3Å; L196-V213 HydrophobicContact CG-CG2 4.49Å; L196-V213 PolarHBondContact N-O 3.03Å; L196-V213 PolarHBondContact O-N 3.14Å; V198-V213 HydrophobicContact CG2-CG2 3.85Å; L211-V213 HydrophobicContact CB-CG1 4.1Å; V213-W217 HydrophobicContact CB-CD2 3.99Å; V213-W217 HydrophobicContact CB-CE3 3.61Å; V213-W217 HydrophobicContact CB-CH2 4.4Å; V213-W217 HydrophobicContact CB-CZ3 3.84Å; V213-W217 HydrophobicContact CG1-CD2 4.45Å; V213-W217 HydrophobicContact CG1-CE3 3.62Å; V213-W217 HydrophobicContact CG1-CH2 4.05Å; V213-W217 HydrophobicContact CG1-CZ3 3.38Å; V213-L222 HydrophobicContact CG1-CD1 3.79Å; V213-L222 HydrophobicContact CG2-CD1 4.26Å; V213-L262 HydrophobicContact CG2-CD1 4.08Å |
| 214 | S | 89.7 | Confident | 87.6 | Confident | 22 Ų | 22 | 59.6 Ų | 59.6 | 15% | 0.154 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 140.1 | 171.4 | -173.2 | 0 | 0 | 0 | 0 | 110 | S216 W217 | S214-S216 PolarHBondContact O-N 3.03Å; S214-S216 VanDerWaalsContact O-N 3.15Å; S214-S216 PolarHBondContact OG-N 3.24Å; S214-S216 PolarHBondContact OG-OG 3.45Å; S214-W217 VanDerWaalsContact CB-CD1 3.47Å; S214-W217 WeakPolarHBondContact O-CB 3.3Å; S214-W217 PolarHBondContact O-N 2.73Å; S214-W217 VanDerWaalsContact O-N 3.1Å |
| 215 | S | 86 | Confident | 88.4 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.1 | 170.1 | 48.3 | 0 | 0 | 0 | 0 | 114 | A194 I263 | A194-S215 PolarHBondContact O-N 2.9Å; A194-S215 PolarHBondContact O-OG 3.39Å; S215-I263 PolarHBondContact O-N 3.4Å; S215-I263 VanDerWaalsContact O-N 3.14Å |
| 216 | S | 88.2 | Confident | 89.1 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 48% | 0.476 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -12.4 | 175.3 | 64.7 | 0 | 0 | 0 | 0 | 114.6 | S214 | S214-S216 PolarHBondContact O-N 3.03Å; S214-S216 VanDerWaalsContact O-N 3.15Å; S214-S216 PolarHBondContact OG-N 3.24Å; S214-S216 PolarHBondContact OG-OG 3.45Å |
| 217 | W | 91.6 | Very high | 89.7 | Confident | 68 Ų | 68 | 45.7 Ų | 45.7 | 26% | 0.258 | 25% | 0.249 | S | C | . | . | trans | -62.6 | 157.4 | 178.9 | -75.4 | 9.5 | 0 | 0 | 0 | 111.9 | V213 S214 E221 M225 P261 L262 | V213-W217 HydrophobicContact CB-CD2 3.99Å; V213-W217 HydrophobicContact CB-CE3 3.61Å; V213-W217 HydrophobicContact CB-CH2 4.4Å; V213-W217 HydrophobicContact CB-CZ3 3.84Å; V213-W217 HydrophobicContact CG1-CD2 4.45Å; V213-W217 HydrophobicContact CG1-CE3 3.62Å; V213-W217 HydrophobicContact CG1-CH2 4.05Å; V213-W217 HydrophobicContact CG1-CZ3 3.38Å; S214-W217 VanDerWaalsContact CB-CD1 3.47Å; S214-W217 WeakPolarHBondContact O-CB 3.3Å; S214-W217 PolarHBondContact O-N 2.73Å; S214-W217 VanDerWaalsContact O-N 3.1Å; W217-E221 VanDerWaalsContact CA-OE2 3.24Å; W217-E221 WeakPolarHBondContact CA-OE2 3.3Å; W217-E221 HydrophobicContact CB-CB 4.36Å; W217-E221 HydrophobicContact CD2-CB 4.25Å; W217-E221 HydrophobicContact CE3-CB 4.07Å; W217-E221 HydrophobicContact CG-CB 4.4Å; W217-M225 HydrophobicContact CH2-CG 3.74Å; W217-M225 HydrophobicContact CZ3-CB 4.12Å; W217-M225 HydrophobicContact CZ3-CG 3.64Å; W217-P261 CarbonylContact O-C 3.46Å; W217-P261 WeakPolarHBondContact O-CA 3.49Å; W217-L262 HydrophobicContact CB-CD1 4.12Å; W217-L262 VanDerWaalsContact O-CG 3.29Å; W217-L262 WeakPolarHBondContact O-CG 3.35Å; W217-L262 PolarHBondContact O-N 3.46Å | ||
| 218 | T | 92 | Very high | 89.9 | Confident | 24 Ų | 24 | 48 Ų | 48 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | trans | -88.8 | 160.5 | 171.4 | 63.7 | 0 | 0 | 0 | 0 | 110.6 | S220 E221 L222 D259 | T218-S220 PolarHBondContact O-N 3.32Å; T218-E221 PolarHBondContact N-OE2 2.76Å; T218-E221 PolarHBondContact O-N 3.05Å; T218-E221 WeakPolarHBondContact OG1-CG 3.29Å; T218-E221 PolarHBondContact OG1-N 3.26Å; T218-E221 PolarHBondContact OG1-OE2 3.41Å; T218-E221 VanDerWaalsContact OG1-OE2 3.06Å; T218-L222 PolarHBondContact O-N 3.2Å; T218-D259 WeakPolarHBondContact CG2-OD1 3.29Å | ||
| 219 | P | 91.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.3 | -38.3 | 170.5 | -27.4 | 33.9 | 0 | 0 | 0 | 112.7 | L222 M223 L247 L256 H260 Y265 | P219-L222 PolarHBondContact O-N 3Å; P219-M223 VanDerWaalsContact O-CG 3.26Å; P219-M223 WeakPolarHBondContact O-CG 3.34Å; P219-M223 PolarHBondContact O-N 2.93Å; P219-L247 HydrophobicContact CB-CD1 4.08Å; P219-L256 HydrophobicContact CB-CB 4.32Å; P219-L256 HydrophobicContact CG-CB 4.15Å; P219-H260 WeakPolarHBondContact CD-O 3.5Å; P219-Y265 HydrophobicContact CG-CE2 3.68Å; P219-Y265 WeakPolarHBondContact CG-OH 3.47Å |
| 220 | S | 90.1 | Very high | 89.3 | Confident | 64 Ų | 64 | 49.6 Ų | 49.6 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.9 | -48.3 | 179.9 | -60.2 | 0 | 0 | 0 | 0 | 112.5 | T218 L222 M223 E224 | T218-S220 PolarHBondContact O-N 3.32Å; S220-L222 VanDerWaalsContact C-N 3.34Å; S220-L222 PolarHBondContact O-N 3.44Å; S220-M223 PolarHBondContact O-N 3.28Å; S220-E224 PolarHBondContact O-N 3.32Å |
| 221 | E | 90.9 | Very high | 88.7 | Confident | 83 Ų | 83 | 49.2 Ų | 49.2 | 39% | 0.388 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.3 | -40.2 | 177.4 | -69 | 166.6 | 133.5 | 0 | 0 | 111.8 | W217 T218 E224 M225 | W217-E221 VanDerWaalsContact CA-OE2 3.24Å; W217-E221 WeakPolarHBondContact CA-OE2 3.3Å; W217-E221 HydrophobicContact CB-CB 4.36Å; W217-E221 HydrophobicContact CD2-CB 4.25Å; W217-E221 HydrophobicContact CE3-CB 4.07Å; W217-E221 HydrophobicContact CG-CB 4.4Å; T218-E221 PolarHBondContact N-OE2 2.76Å; T218-E221 PolarHBondContact O-N 3.05Å; T218-E221 WeakPolarHBondContact OG1-CG 3.29Å; T218-E221 PolarHBondContact OG1-N 3.26Å; T218-E221 PolarHBondContact OG1-OE2 3.41Å; T218-E221 VanDerWaalsContact OG1-OE2 3.06Å; E221-E224 PolarHBondContact O-N 3.48Å; E221-M225 PolarHBondContact O-N 2.85Å |
| 222 | L | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 176.2 | 175.1 | 60.7 | 0 | 0 | 0 | 111.7 | V198 I200 L211 V213 T218 P219 S220 A226 L247 L262 L280 | V198-L222 HydrophobicContact CG1-CD2 4.32Å; I200-L222 HydrophobicContact CD1-CD1 4.35Å; I200-L222 HydrophobicContact CD1-CD2 4.39Å; I200-L222 HydrophobicContact CD1-CG 4.42Å; L211-L222 HydrophobicContact CD1-CD1 3.92Å; V213-L222 HydrophobicContact CG1-CD1 3.79Å; V213-L222 HydrophobicContact CG2-CD1 4.26Å; T218-L222 PolarHBondContact O-N 3.2Å; P219-L222 PolarHBondContact O-N 3Å; S220-L222 VanDerWaalsContact C-N 3.34Å; S220-L222 PolarHBondContact O-N 3.44Å; L222-A226 WeakPolarHBondContact O-CB 3.42Å; L222-A226 PolarHBondContact O-N 3.04Å; L222-L247 HydrophobicContact CB-CD1 4.3Å; L222-L247 HydrophobicContact CD2-CD1 3.8Å; L222-L247 HydrophobicContact CG-CD1 4.1Å; L222-L262 HydrophobicContact CB-CD1 4.36Å; L222-L262 HydrophobicContact CD2-CD1 3.95Å; L222-L262 HydrophobicContact CD2-CD2 4Å; L222-L280 HydrophobicContact CD2-CD1 3.73Å |
| 223 | M | 90.9 | Very high | 87.3 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.1 | -44 | 177 | -68 | -172.8 | -67.7 | 0 | 0 | 111.1 | P219 S220 M225 A226 V227 W241 Y245 L247 L282 | P219-M223 VanDerWaalsContact O-CG 3.26Å; P219-M223 WeakPolarHBondContact O-CG 3.34Å; P219-M223 PolarHBondContact O-N 2.93Å; S220-M223 PolarHBondContact O-N 3.28Å; M223-M225 VanDerWaalsContact C-N 3.31Å; M223-M225 PolarHBondContact O-N 3.39Å; M223-A226 WeakPolarHBondContact O-CB 3.36Å; M223-A226 PolarHBondContact O-N 2.9Å; M223-A226 VanDerWaalsContact O-N 3.08Å; M223-V227 PolarHBondContact O-N 2.9Å; M223-W241 HydrophobicContact CB-CH2 3.48Å; M223-W241 VanDerWaalsContact CB-CH2 3.48Å; M223-W241 HydrophobicContact CB-CZ2 4.44Å; M223-W241 HydrophobicContact CB-CZ3 4.21Å; M223-W241 WeakPolarHBondContact O-CZ3 3.32Å; M223-Y245 VanDerWaalsContact SD-O 3.38Å; M223-L247 HydrophobicContact CG-CD1 3.46Å; M223-L247 VanDerWaalsContact CG-CD1 3.46Å; M223-L247 HydrophobicContact CG-CD2 3.95Å; M223-L247 HydrophobicContact CG-CG 3.33Å; M223-L247 HydrophobicContact SD-CD1 4.35Å; M223-L247 HydrophobicContact SD-CG 3.86Å; M223-L282 HydrophobicContact CB-CD2 4.08Å; M223-L282 HydrophobicContact CG-CD2 3.75Å; M223-L282 HydrophobicContact SD-CD2 4.24Å |
| 224 | E | 89 | Confident | 86.4 | Confident | 108 Ų | 108 | 56.8 Ų | 56.8 | 51% | 0.505 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -53.5 | -49.8 | 179.3 | -167.9 | -176.1 | 156.9 | 0 | 0 | 111.4 | S220 E221 A226 K228 W241 | S220-E224 PolarHBondContact O-N 3.32Å; E221-E224 PolarHBondContact O-N 3.48Å; E224-A226 PolarHBondContact O-N 3.2Å; E224-K228 VanDerWaalsContact O-CB 3.3Å; E224-K228 WeakPolarHBondContact O-CB 3.5Å; E224-K228 PolarHBondContact O-N 3.2Å; E224-W241 HydrophobicContact CB-CE3 4.45Å; E224-W241 HydrophobicContact CB-CH2 4.05Å; E224-W241 HydrophobicContact CB-CZ2 4.16Å; E224-W241 HydrophobicContact CB-CZ3 4.22Å; E224-W241 HydrophobicContact CG-CD2 4.32Å; E224-W241 HydrophobicContact CG-CE3 4.38Å; E224-W241 VanDerWaalsContact N-CZ3 3.35Å |
| 225 | M | 88.5 | Confident | 85.1 | Confident | 82 Ų | 82 | 57.2 Ų | 57.2 | 40% | 0.404 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.7 | -37 | 178 | -76.2 | -62.6 | -58.6 | 0 | 0 | 113.3 | W217 E221 M223 K229 | W217-M225 HydrophobicContact CH2-CG 3.74Å; W217-M225 HydrophobicContact CZ3-CB 4.12Å; W217-M225 HydrophobicContact CZ3-CG 3.64Å; E221-M225 PolarHBondContact O-N 2.85Å; M223-M225 VanDerWaalsContact C-N 3.31Å; M223-M225 PolarHBondContact O-N 3.39Å; M225-K229 WeakPolarHBondContact O-CB 3.5Å; M225-K229 PolarHBondContact O-N 2.91Å; M225-K229 VanDerWaalsContact O-N 3.14Å |
| 226 | A | 89.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.6 | -46.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I200 L211 L222 M223 E224 K229 W230 L282 | I200-A226 HydrophobicContact CB-CB 4.48Å; I200-A226 HydrophobicContact CG1-CB 4.08Å; I200-A226 HydrophobicContact CG2-CB 4.05Å; L211-A226 HydrophobicContact CD1-CB 3.74Å; L222-A226 WeakPolarHBondContact O-CB 3.42Å; L222-A226 PolarHBondContact O-N 3.04Å; M223-A226 WeakPolarHBondContact O-CB 3.36Å; M223-A226 PolarHBondContact O-N 2.9Å; M223-A226 VanDerWaalsContact O-N 3.08Å; E224-A226 PolarHBondContact O-N 3.2Å; A226-K229 PolarHBondContact O-N 3.15Å; A226-W230 PolarHBondContact O-N 2.99Å; A226-L282 HydrophobicContact CB-CD1 3.65Å |
| 227 | V | 86.4 | Confident | 82 | Confident | 7 Ų | 7 | 68.3 Ų | 68.3 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.4 | -41.8 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | M223 K229 W230 L231 W241 Y245 L282 | M223-V227 PolarHBondContact O-N 2.9Å; V227-K229 PolarHBondContact O-N 2.85Å; V227-W230 WeakPolarHBondContact O-CA 3.13Å; V227-W230 WeakPolarHBondContact O-CB 3.34Å; V227-W230 PolarHBondContact O-N 3.35Å; V227-L231 HydrophobicContact CG1-CD1 3.65Å; V227-L231 HydrophobicContact CG1-CG 3.96Å; V227-L231 WeakPolarHBondContact O-CG 3.3Å; V227-L231 PolarHBondContact O-N 2.72Å; V227-W241 HydrophobicContact CB-CE3 3.62Å; V227-W241 HydrophobicContact CB-CZ3 3.49Å; V227-W241 VanDerWaalsContact CB-CZ3 3.49Å; V227-W241 HydrophobicContact CG1-CE3 3.84Å; V227-W241 HydrophobicContact CG1-CZ3 4.18Å; V227-W241 HydrophobicContact CG2-CE3 4Å; V227-W241 HydrophobicContact CG2-CZ3 3.45Å; V227-W241 VanDerWaalsContact CG2-CZ3 3.45Å; V227-Y245 HydrophobicContact CG2-CD2 3.88Å; V227-Y245 HydrophobicContact CG2-CE2 4.07Å; V227-Y245 HydrophobicContact CG2-CG 4.45Å; V227-L282 HydrophobicContact CG2-CD1 3.89Å |
| 228 | K | 85.1 | Confident | 80.1 | Confident | 128 Ų | 128 | 74.1 Ų | 74.1 | 56% | 0.557 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -54.8 | -43.2 | 175.1 | -175.3 | 173.9 | -177.2 | 172.5 | 0 | 111.6 | E224 I232 | E224-K228 VanDerWaalsContact O-CB 3.3Å; E224-K228 WeakPolarHBondContact O-CB 3.5Å; E224-K228 PolarHBondContact O-N 3.2Å; K228-I232 HydrophobicContact CG-CD1 4.27Å; K228-I232 VanDerWaalsContact O-CD1 3.32Å; K228-I232 WeakPolarHBondContact O-CD1 3.43Å; K228-I232 WeakPolarHBondContact O-CG1 3.49Å; K228-I232 PolarHBondContact O-N 3.02Å |
| 229 | K | 84.6 | Confident | 78.2 | Confident | 81 Ų | 81 | 79.3 Ų | 79.3 | 35% | 0.352 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.7 | -34.5 | 177.5 | -163.4 | 175.9 | -176.1 | -166.1 | 0 | 112.9 | T209 S210 L211 M225 A226 V227 T233 | T209-K229 HydrophobicContact CG2-CD 4.21Å; T209-K229 WeakPolarHBondContact OG1-CD 3.3Å; T209-K229 VanDerWaalsContact OG1-CE 3.24Å; T209-K229 WeakPolarHBondContact OG1-CE 3.45Å; T209-K229 PolarHBondContact OG1-NZ 3.39Å; S210-K229 PolarHBondContact O-NZ 2.96Å; L211-K229 HydrophobicContact CD2-CD 3.45Å; L211-K229 VanDerWaalsContact CD2-CD 3.45Å; M225-K229 WeakPolarHBondContact O-CB 3.5Å; M225-K229 PolarHBondContact O-N 2.91Å; M225-K229 VanDerWaalsContact O-N 3.14Å; A226-K229 PolarHBondContact O-N 3.15Å; V227-K229 PolarHBondContact O-N 2.85Å; K229-T233 PolarHBondContact O-OG1 3.44Å |
| 230 | W | 82.1 | Confident | 76.5 | Confident | 52 Ų | 52 | 87.7 Ų | 87.7 | 20% | 0.197 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66.8 | -49.2 | 175.2 | -176.5 | -106.4 | 0 | 0 | 0 | 112.6 | F202 D207 A226 V227 I232 T233 H234 | F202-W230 HydrophobicContact CB-CE3 4.36Å; F202-W230 HydrophobicContact CB-CH2 4.15Å; F202-W230 HydrophobicContact CB-CZ2 4.29Å; F202-W230 HydrophobicContact CB-CZ3 4.17Å; F202-W230 HydrophobicContact CD1-CB 4.16Å; F202-W230 AromaticContact CD1-CD2 3.56Å; F202-W230 HydrophobicContact CD1-CD2 3.56Å; F202-W230 AromaticContact CD1-CE3 3.76Å; F202-W230 HydrophobicContact CD1-CE3 3.76Å; F202-W230 AromaticContact CD1-CG 3.74Å; F202-W230 HydrophobicContact CD1-CG 3.74Å; F202-W230 HydrophobicContact CD1-CZ3 4.41Å; F202-W230 AromaticContact CD2-CD2 3.95Å; F202-W230 HydrophobicContact CD2-CD2 3.95Å; F202-W230 AromaticContact CD2-CE3 3.23Å; F202-W230 HydrophobicContact CD2-CE3 3.23Å; F202-W230 HydrophobicContact CD2-CH2 4.21Å; F202-W230 AromaticContact CD2-CZ3 3.39Å; F202-W230 HydrophobicContact CD2-CZ3 3.39Å; F202-W230 HydrophobicContact CE1-CB 3.38Å; F202-W230 AromaticContact CE1-CD2 3.65Å; F202-W230 HydrophobicContact CE1-CD2 3.65Å; F202-W230 AromaticContact CE1-CE3 3.8Å; F202-W230 HydrophobicContact CE1-CE3 3.8Å; F202-W230 AromaticContact CE1-CG 3.48Å; F202-W230 HydrophobicContact CE1-CG 3.48Å; F202-W230 VanDerWaalsContact CE1-CG 3.48Å; F202-W230 HydrophobicContact CE2-CB 4.49Å; F202-W230 HydrophobicContact CE2-CD2 4.05Å; F202-W230 AromaticContact CE2-CE3 3.29Å; F202-W230 HydrophobicContact CE2-CE3 3.29Å; F202-W230 AromaticContact CE2-CZ3 3.85Å; F202-W230 HydrophobicContact CE2-CZ3 3.85Å; F202-W230 AromaticContact CG-CD2 3.72Å; F202-W230 HydrophobicContact CG-CD2 3.72Å; F202-W230 AromaticContact CG-CE3 3.49Å; F202-W230 HydrophobicContact CG-CE3 3.49Å; F202-W230 VanDerWaalsContact CG-CE3 3.49Å; F202-W230 HydrophobicContact CG-CG 4.39Å; F202-W230 HydrophobicContact CG-CH2 4.15Å; F202-W230 HydrophobicContact CG-CZ2 4.34Å; F202-W230 AromaticContact CG-CZ3 3.72Å; F202-W230 HydrophobicContact CG-CZ3 3.72Å; F202-W230 HydrophobicContact CZ-CB 3.6Å; F202-W230 AromaticContact CZ-CD2 3.91Å; F202-W230 HydrophobicContact CZ-CD2 3.91Å; F202-W230 AromaticContact CZ-CE3 3.59Å; F202-W230 HydrophobicContact CZ-CE3 3.59Å; F202-W230 AromaticContact CZ-CG 3.95Å; F202-W230 HydrophobicContact CZ-CG 3.95Å; D207-W230 HydrophobicContact CB-CH2 4Å; D207-W230 HydrophobicContact CB-CZ3 3.72Å; A226-W230 PolarHBondContact O-N 2.99Å; V227-W230 WeakPolarHBondContact O-CA 3.13Å; V227-W230 WeakPolarHBondContact O-CB 3.34Å; V227-W230 PolarHBondContact O-N 3.35Å; W230-I232 VanDerWaalsContact C-N 3.33Å; W230-I232 PolarHBondContact O-N 3.42Å; W230-T233 PolarHBondContact O-N 3.18Å; W230-T233 PolarHBondContact O-OG1 3.24Å; W230-H234 HydrophobicContact CD2-CB 4.45Å; W230-H234 AromaticContact CD2-ND1 3.74Å; W230-H234 AromaticContact CE2-CG 3.91Å; W230-H234 AromaticContact CE2-ND1 3.98Å; W230-H234 AromaticContact CE3-CE1 3.72Å; W230-H234 AromaticContact CE3-ND1 3.52Å; W230-H234 AromaticContact CH2-CD2 3.79Å; W230-H234 AromaticContact CH2-CE1 3.7Å; W230-H234 AromaticContact CH2-CG 3.91Å; W230-H234 AromaticContact CH2-ND1 3.84Å; W230-H234 AromaticContact CH2-NE2 3.69Å; W230-H234 HydrophobicContact CZ2-CB 4.22Å; W230-H234 AromaticContact CZ2-CD2 3.96Å; W230-H234 AromaticContact CZ2-CG 3.81Å; W230-H234 AromaticContact CZ3-CE1 3.36Å; W230-H234 WeakPolarHBondContact CZ3-CE1 3.24Å; W230-H234 AromaticContact CZ3-ND1 3.58Å; W230-H234 AromaticContact CZ3-NE2 3.81Å; W230-H234 PolarHBondContact O-N 2.94Å; W230-H234 PolarHBondContact O-ND1 3.05Å |
| 231 | L | 80.4 | Confident | 75 | Confident | 38 Ų | 38 | 89.4 Ų | 89.4 | 20% | 0.199 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.1 | -40.1 | -178.8 | -68.3 | 171.7 | 0 | 0 | 0 | 111.8 | V227 T233 H234 A235 E239 | V227-L231 HydrophobicContact CG1-CD1 3.65Å; V227-L231 HydrophobicContact CG1-CG 3.96Å; V227-L231 WeakPolarHBondContact O-CG 3.3Å; V227-L231 PolarHBondContact O-N 2.72Å; L231-T233 PolarHBondContact O-N 3.16Å; L231-T233 VanDerWaalsContact O-N 3.1Å; L231-H234 PolarHBondContact O-N 3.02Å; L231-A235 HydrophobicContact CB-CB 4.29Å; L231-A235 HydrophobicContact CD2-CB 3.48Å; L231-A235 VanDerWaalsContact CD2-CB 3.48Å; L231-A235 HydrophobicContact CG-CB 4.5Å; L231-A235 PolarHBondContact O-N 3.34Å; L231-E239 WeakPolarHBondContact CD1-O 3.37Å; L231-E239 HydrophobicContact CD2-CB 4.12Å |
| 232 | I | 80.4 | Confident | 73.4 | Confident | 135 Ų | 135 | 88.8 Ų | 88.8 | 69% | 0.692 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -55.1 | -30.1 | 173.3 | -70.9 | 164.9 | 0 | 0 | 0 | 112.3 | K228 W230 | K228-I232 HydrophobicContact CG-CD1 4.27Å; K228-I232 VanDerWaalsContact O-CD1 3.32Å; K228-I232 WeakPolarHBondContact O-CD1 3.43Å; K228-I232 WeakPolarHBondContact O-CG1 3.49Å; K228-I232 PolarHBondContact O-N 3.02Å; W230-I232 VanDerWaalsContact C-N 3.33Å; W230-I232 PolarHBondContact O-N 3.42Å |
| 233 | T | 74.1 | Confident | 72 | Confident | 92 Ų | 92 | 91 Ų | 91 | 56% | 0.564 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -100.8 | -21.4 | -174.6 | 42 | 0 | 0 | 0 | 0 | 114 | K229 W230 L231 | K229-T233 PolarHBondContact O-OG1 3.44Å; W230-T233 PolarHBondContact O-N 3.18Å; W230-T233 PolarHBondContact O-OG1 3.24Å; L231-T233 PolarHBondContact O-N 3.16Å; L231-T233 VanDerWaalsContact O-N 3.1Å |
| 234 | H | 71.6 | Confident | 71.4 | Confident | 102 Ų | 102 | 94.3 Ų | 94.3 | 47% | 0.472 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -134.2 | -8.1 | -167 | -63 | 83.2 | 0 | 0 | 0 | 116.1 | D207 W230 L231 | D207-H234 IonicContact OD2-NE2 3.84Å; W230-H234 HydrophobicContact CD2-CB 4.45Å; W230-H234 AromaticContact CD2-ND1 3.74Å; W230-H234 AromaticContact CE2-CG 3.91Å; W230-H234 AromaticContact CE2-ND1 3.98Å; W230-H234 AromaticContact CE3-CE1 3.72Å; W230-H234 AromaticContact CE3-ND1 3.52Å; W230-H234 AromaticContact CH2-CD2 3.79Å; W230-H234 AromaticContact CH2-CE1 3.7Å; W230-H234 AromaticContact CH2-CG 3.91Å; W230-H234 AromaticContact CH2-ND1 3.84Å; W230-H234 AromaticContact CH2-NE2 3.69Å; W230-H234 HydrophobicContact CZ2-CB 4.22Å; W230-H234 AromaticContact CZ2-CD2 3.96Å; W230-H234 AromaticContact CZ2-CG 3.81Å; W230-H234 AromaticContact CZ3-CE1 3.36Å; W230-H234 WeakPolarHBondContact CZ3-CE1 3.24Å; W230-H234 AromaticContact CZ3-ND1 3.58Å; W230-H234 AromaticContact CZ3-NE2 3.81Å; W230-H234 PolarHBondContact O-N 2.94Å; W230-H234 PolarHBondContact O-ND1 3.05Å; L231-H234 PolarHBondContact O-N 3.02Å |
| 235 | A | 63.6 | Low | 71.3 | Confident | 30 Ų | 30 | 92.7 Ų | 92.7 | 25% | 0.248 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -126.1 | 153.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L231 | L231-A235 HydrophobicContact CB-CB 4.29Å; L231-A235 HydrophobicContact CD2-CB 3.48Å; L231-A235 VanDerWaalsContact CD2-CB 3.48Å; L231-A235 HydrophobicContact CG-CB 4.5Å; L231-A235 PolarHBondContact O-N 3.34Å |
| 236 | P | 55.5 | Low | 71.3 | Confident | 108 Ų | 108 | 89.8 Ų | 89.8 | 70% | 0.701 | 45% | 0.454 | S | S | * | . | trans | -68.9 | 154.1 | 170 | 11.9 | -3.5 | 0 | 0 | 0 | 111.9 | E238 E239 | P236-E238 PolarHBondContact O-N 2.7Å; P236-E239 PolarHBondContact O-N 3.3Å | ||
| 237 | E | 53.7 | Low | 71.5 | Confident | 209 Ų | 209 | 89.9 Ų | 89.9 | 98% | 0.977 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 4.9 | -167 | -68.7 | -176.9 | 153.2 | 0 | 0 | 117.5 | ||
| 238 | E | 50.2 | Low | 71.8 | Confident | 189 Ų | 189 | 90.5 Ų | 90.5 | 88% | 0.883 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | -0.4 | -173.9 | -66.5 | -173.4 | 169.2 | 0 | 0 | 115.7 | P236 E240 | P236-E238 PolarHBondContact O-N 2.7Å; E238-E240 PolarHBondContact O-N 3.38Å |
| 239 | E | 53.3 | Low | 72.2 | Confident | 133 Ų | 133 | 84.4 Ų | 84.4 | 62% | 0.621 | 43% | 0.43 | S | S | * | . | trans | -82 | 106.3 | 173.3 | -89.3 | -175.1 | 163.2 | 0 | 0 | 111.5 | L231 P236 | L231-E239 WeakPolarHBondContact CD1-O 3.37Å; L231-E239 HydrophobicContact CD2-CB 4.12Å; P236-E239 PolarHBondContact O-N 3.3Å | ||
| 240 | E | 55.4 | Low | 72.5 | Confident | 180 Ų | 180 | 80.6 Ų | 80.6 | 84% | 0.841 | 41% | 0.413 | S | S | * | . | trans | -86.8 | 154.4 | 173.4 | -77.7 | -172 | 162.1 | 0 | 0 | 113.2 | E238 S242 | E238-E240 PolarHBondContact O-N 3.38Å; E240-S242 PolarHBondContact O-N 2.95Å | ||
| 241 | W | 58.4 | Low | 72.8 | Confident | 100 Ų | 100 | 81 Ų | 81 | 38% | 0.379 | 42% | 0.417 | S | S | . | . | trans | -57.4 | 117.7 | 172.2 | 171.9 | -84.4 | 0 | 0 | 0 | 111.7 | M223 E224 V227 | M223-W241 HydrophobicContact CB-CH2 3.48Å; M223-W241 VanDerWaalsContact CB-CH2 3.48Å; M223-W241 HydrophobicContact CB-CZ2 4.44Å; M223-W241 HydrophobicContact CB-CZ3 4.21Å; M223-W241 WeakPolarHBondContact O-CZ3 3.32Å; E224-W241 HydrophobicContact CB-CE3 4.45Å; E224-W241 HydrophobicContact CB-CH2 4.05Å; E224-W241 HydrophobicContact CB-CZ2 4.16Å; E224-W241 HydrophobicContact CB-CZ3 4.22Å; E224-W241 HydrophobicContact CG-CD2 4.32Å; E224-W241 HydrophobicContact CG-CE3 4.38Å; E224-W241 VanDerWaalsContact N-CZ3 3.35Å; V227-W241 HydrophobicContact CB-CE3 3.62Å; V227-W241 HydrophobicContact CB-CZ3 3.49Å; V227-W241 VanDerWaalsContact CB-CZ3 3.49Å; V227-W241 HydrophobicContact CG1-CE3 3.84Å; V227-W241 HydrophobicContact CG1-CZ3 4.18Å; V227-W241 HydrophobicContact CG2-CE3 4Å; V227-W241 HydrophobicContact CG2-CZ3 3.45Å; V227-W241 VanDerWaalsContact CG2-CZ3 3.45Å | ||
| 242 | S | 58.3 | Low | 73.3 | Confident | 70 Ų | 70 | 79.5 Ų | 79.5 | 49% | 0.49 | 41% | 0.41 | S | S | . | . | trans | -108.1 | 4.5 | -179.1 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | E240 Q244 | E240-S242 PolarHBondContact O-N 2.95Å; S242-Q244 VanDerWaalsContact C-N 3.31Å; S242-Q244 PolarHBondContact O-N 2.85Å; S242-Q244 WeakPolarHBondContact OG-CG 3.23Å; S242-Q244 PolarHBondContact OG-NE2 2.63Å; S242-Q244 PolarHBondContact OG-OE1 2.94Å; S242-Q244 VanDerWaalsContact OG-OE1 3.1Å | ||
| 243 | G | 62.6 | Low | 73.8 | Confident | 47 Ų | 47 | 74.3 Ų | 74.3 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 67.4 | 26.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 244 | Q | 76.7 | Confident | 74.6 | Confident | 89 Ų | 89 | 71 Ų | 71 | 42% | 0.416 | 36% | 0.361 | S | S | . | . | trans | -93.4 | 17.4 | -170.5 | -73.3 | 175.2 | -4.5 | 0 | 0 | 115.3 | S242 H284 T285 | S242-Q244 VanDerWaalsContact C-N 3.31Å; S242-Q244 PolarHBondContact O-N 2.85Å; S242-Q244 WeakPolarHBondContact OG-CG 3.23Å; S242-Q244 PolarHBondContact OG-NE2 2.63Å; S242-Q244 PolarHBondContact OG-OE1 2.94Å; S242-Q244 VanDerWaalsContact OG-OE1 3.1Å; Q244-H284 PolarHBondContact O-CD2 2.95Å; Q244-H284 PolarHBondContact OE1-NE2 2.97Å; Q244-T285 VanDerWaalsContact C-CG2 3.42Å; Q244-T285 WeakPolarHBondContact O-CB 3.47Å; Q244-T285 VanDerWaalsContact O-CG2 3.22Å; Q244-T285 WeakPolarHBondContact O-CG2 3.38Å; Q244-T285 PolarHBondContact O-N 3.24Å; Q244-T285 PolarHBondContact O-OG1 3.1Å | ||
| 245 | Y | 86.5 | Confident | 75.6 | Confident | 75 Ų | 75 | 66.4 Ų | 66.4 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 157.4 | -177.2 | -64.3 | -86.8 | 0 | 0 | 0 | 113 | M223 V227 L282 V283 H284 | M223-Y245 VanDerWaalsContact SD-O 3.38Å; V227-Y245 HydrophobicContact CG2-CD2 3.88Å; V227-Y245 HydrophobicContact CG2-CE2 4.07Å; V227-Y245 HydrophobicContact CG2-CG 4.45Å; Y245-L282 HydrophobicContact CD1-CB 4.33Å; Y245-L282 HydrophobicContact CG-CD2 4.36Å; Y245-V283 CarbonylContact C-O 3.51Å; Y245-V283 WeakPolarHBondContact CA-O 3.43Å; Y245-H284 HydrophobicContact CD1-CB 4.39Å; Y245-H284 HydrophobicContact CE1-CB 4.19Å; Y245-H284 AromaticContact CE1-CD2 3.99Å |
| 246 | V | 90.1 | Very high | 76.9 | Confident | 21 Ų | 21 | 65.2 Ų | 65.2 | 13% | 0.127 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 149.1 | 168.5 | -61.3 | 0 | 0 | 0 | 0 | 110.1 | L169 F255 V283 T285 I288 | L169-V246 HydrophobicContact CD2-CG1 4.26Å; V246-F255 HydrophobicContact CG2-CD1 4Å; V246-F255 HydrophobicContact CG2-CE1 4.05Å; V246-V283 HydrophobicContact CG2-CB 4.03Å; V246-V283 PolarHBondContact N-O 2.83Å; V246-V283 PolarHBondContact O-N 3.32Å; V246-T285 HydrophobicContact CG1-CG2 4.24Å; V246-I288 HydrophobicContact CG2-CD1 4.02Å; V246-I288 HydrophobicContact CG2-CG1 3.76Å |
| 247 | L | 92.5 | Very high | 78.2 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 123.7 | 173.5 | -74.8 | 166.9 | 0 | 0 | 0 | 110.5 | I200 P219 L222 M223 F255 L256 L280 L282 | I200-L247 HydrophobicContact CD1-CD2 4.28Å; P219-L247 HydrophobicContact CB-CD1 4.08Å; L222-L247 HydrophobicContact CB-CD1 4.3Å; L222-L247 HydrophobicContact CD2-CD1 3.8Å; L222-L247 HydrophobicContact CG-CD1 4.1Å; M223-L247 HydrophobicContact CG-CD1 3.46Å; M223-L247 VanDerWaalsContact CG-CD1 3.46Å; M223-L247 HydrophobicContact CG-CD2 3.95Å; M223-L247 HydrophobicContact CG-CG 3.33Å; M223-L247 HydrophobicContact SD-CD1 4.35Å; M223-L247 HydrophobicContact SD-CG 3.86Å; L247-F255 CarbonylContact O-C 3.54Å; L247-F255 WeakPolarHBondContact O-CA 3.48Å; L247-L256 HydrophobicContact CB-CB 4.02Å; L247-L256 PolarHBondContact O-N 2.95Å; L247-L280 HydrophobicContact CD1-CD1 4.29Å; L247-L280 HydrophobicContact CD2-CB 4.07Å; L247-L280 HydrophobicContact CD2-CD1 4.25Å; L247-L282 HydrophobicContact CD2-CD2 3.91Å; L247-L282 HydrophobicContact CD2-CG 4.19Å; L247-L282 HydrophobicContact CG-CD2 4.5Å |
| 248 | R | 93.3 | Very high | 79.6 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 145.6 | 170.1 | -166.2 | -164 | 67.5 | -151.2 | -0.6 | 109.6 | S250 C252 E254 F255 L280 T281 V283 | R248-S250 PolarHBondContact NH2-O 2.88Å; R248-C252 WeakPolarHBondContact CD-O 3.21Å; R248-C252 WeakPolarHBondContact CG-O 3.14Å; R248-E254 CarbonylContact C-O 3.53Å; R248-E254 WeakPolarHBondContact CA-O 3.49Å; R248-E254 WeakPolarHBondContact CG-O 3.45Å; R248-F255 HydrophobicContact CB-CD1 3.9Å; R248-F255 HydrophobicContact CB-CE1 3.83Å; R248-F255 HydrophobicContact CG-CD1 4.02Å; R248-F255 HydrophobicContact CG-CE1 3.77Å; R248-F255 HydrophobicContact CG-CZ 4.05Å; R248-L280 CarbonylContact O-C 3.5Å; R248-L280 VanDerWaalsContact O-CA 3.27Å; R248-L280 WeakPolarHBondContact O-CA 3.43Å; R248-T281 PolarHBondContact N-O 3.24Å; R248-T281 PolarHBondContact NH2-OG1 3.21Å; R248-T281 PolarHBondContact O-N 3.16Å; R248-V283 HydrophobicContact CB-CG2 3.9Å |
| 249 | V | 93.4 | Very high | 81.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 134.5 | 162.8 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | H251 C252 E254 L256 Y267 L280 | V249-H251 VanDerWaalsContact C-N 3.3Å; V249-H251 WeakPolarHBondContact CG1-CE1 3.44Å; V249-H251 WeakPolarHBondContact CG1-ND1 3.1Å; V249-H251 PolarHBondContact O-N 3.05Å; V249-C252 VanDerWaalsContact CG1-SG 3.54Å; V249-C252 PolarHBondContact O-N 3.35Å; V249-E254 HydrophobicContact CB-CB 4.17Å; V249-E254 HydrophobicContact CG2-CB 3.88Å; V249-E254 HydrophobicContact CG2-CG 4.15Å; V249-E254 PolarHBondContact N-O 3.31Å; V249-L256 HydrophobicContact CG2-CD1 3.81Å; V249-Y267 HydrophobicContact CB-CD1 4.35Å; V249-Y267 HydrophobicContact CB-CE1 4.42Å; V249-Y267 HydrophobicContact CG1-CD1 3.96Å; V249-Y267 HydrophobicContact CG1-CD2 4.11Å; V249-Y267 HydrophobicContact CG1-CE1 3.75Å; V249-Y267 HydrophobicContact CG1-CE2 3.96Å; V249-Y267 HydrophobicContact CG1-CG 4.12Å; V249-Y267 HydrophobicContact CG2-CD1 3.55Å; V249-Y267 HydrophobicContact CG2-CE1 4.07Å; V249-Y267 HydrophobicContact CG2-CG 3.85Å; V249-L280 HydrophobicContact CG2-CD2 4.29Å |
| 250 | S | 91.4 | Very high | 83 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -32 | -165.9 | -58.9 | 0 | 0 | 0 | 0 | 113.8 | H201 R248 H279 L280 T281 L803 | H201-S250 PolarHBondContact CD2-OG 3.06Å; R248-S250 PolarHBondContact NH2-O 2.88Å; S250-H279 WeakPolarHBondContact CB-O 3.19Å; S250-H279 PolarHBondContact N-O 2.75Å; S250-H279 PolarHBondContact OG-O 3.46Å; S250-L280 WeakPolarHBondContact OG-CA 3.35Å; S250-L280 PolarHBondContact OG-N 2.97Å; S250-L280 VanDerWaalsContact OG-N 3.16Å; S250-L280 PolarHBondContact OG-O 2.87Å; S250-T281 WeakPolarHBondContact CA-OG1 2.86Å; S250-T281 PolarHBondContact OG-OG1 3.23Å; S250-L803 CarbonylContact O-C 3.43Å; S250-L803 VanDerWaalsContact O-CB 3.29Å; S250-L803 WeakPolarHBondContact O-CB 3.18Å; S250-L803 VanDerWaalsContact O-O 3.12Å |
| 251 | H | 88.6 | Confident | 84.7 | Confident | 62 Ų | 62 | 39.7 Ų | 39.7 | 29% | 0.287 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -0.6 | -172.2 | 62.7 | -86.6 | 0 | 0 | 0 | 113.9 | V249 Y267 N801 L804 | V249-H251 VanDerWaalsContact C-N 3.3Å; V249-H251 WeakPolarHBondContact CG1-CE1 3.44Å; V249-H251 WeakPolarHBondContact CG1-ND1 3.1Å; V249-H251 PolarHBondContact O-N 3.05Å; H251-Y267 AromaticContact CE1-CE2 3.49Å; H251-Y267 VanDerWaalsContact CE1-CE2 3.49Å; H251-Y267 WeakPolarHBondContact CE1-CE2 3.26Å; H251-Y267 AromaticContact CE1-CZ 3.93Å; H251-N801 PolarHBondContact O-ND2 3.11Å; H251-L804 HydrophobicContact CB-CB 4.35Å; H251-L804 HydrophobicContact CB-CD2 4.18Å |
| 252 | C | 90.4 | Very high | 86.3 | Confident | 6 Ų | 6 | 34.9 Ų | 34.9 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -154.2 | 163.3 | -177.6 | 66 | 0 | 0 | 0 | 0 | 112.5 | R248 V249 E254 S774 V775 | R248-C252 WeakPolarHBondContact CD-O 3.21Å; R248-C252 WeakPolarHBondContact CG-O 3.14Å; V249-C252 VanDerWaalsContact CG1-SG 3.54Å; V249-C252 PolarHBondContact O-N 3.35Å; C252-E254 PolarHBondContact O-N 2.92Å; C252-S774 CarbonylContact C-O 3.55Å; C252-S774 WeakPolarHBondContact CA-O 3.25Å; C252-S774 VanDerWaalsContact CB-O 3.32Å; C252-S774 WeakPolarHBondContact CB-O 3.38Å; C252-V775 HydrophobicContact CB-CG2 4.46Å |
| 253 | L | 90.6 | Very high | 87.7 | Confident | 25 Ų | 25 | 33.7 Ų | 33.7 | 13% | 0.131 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -79 | 66.1 | 169.5 | -63.7 | -178.9 | 0 | 0 | 0 | 110.4 | F173 F255 S774 L776 L803 | F173-L253 HydrophobicContact CD1-CB 4.25Å; F173-L253 WeakPolarHBondContact CD1-O 3.48Å; F173-L253 HydrophobicContact CE1-CB 3.91Å; F173-L253 HydrophobicContact CE1-CD1 4.17Å; L253-F255 HydrophobicContact CB-CE2 4.47Å; L253-F255 HydrophobicContact CD2-CZ 4.45Å; L253-S774 PolarHBondContact N-O 3.42Å; L253-S774 WeakPolarHBondContact O-CB 3.24Å; L253-S774 PolarHBondContact O-OG 2.99Å; L253-S774 VanDerWaalsContact O-OG 3.13Å; L253-L776 HydrophobicContact CD1-CD1 3.92Å; L253-L776 HydrophobicContact CD1-CD2 3.8Å; L253-L776 HydrophobicContact CD1-CG 4.01Å; L253-L776 HydrophobicContact CD2-CD1 4.21Å; L253-L776 HydrophobicContact CG-CD1 3.93Å; L253-L776 HydrophobicContact CG-CD2 4.35Å; L253-L776 HydrophobicContact CG-CG 4.03Å; L253-L803 HydrophobicContact CD2-CD1 3.93Å; L253-L803 HydrophobicContact CG-CD1 4.09Å |
| 254 | E | 91.2 | Very high | 88.9 | Confident | 24 Ų | 24 | 33.2 Ų | 33.2 | 11% | 0.112 | 17% | 0.172 | C | C | . | . | trans | -121.7 | 132.8 | 167.4 | -174 | 169 | 150.9 | 0 | 0 | 107.7 | Q176 R248 V249 C252 | Q176-E254 PolarHBondContact NE2-OE2 2.63Å; R248-E254 CarbonylContact C-O 3.53Å; R248-E254 WeakPolarHBondContact CA-O 3.49Å; R248-E254 WeakPolarHBondContact CG-O 3.45Å; V249-E254 HydrophobicContact CB-CB 4.17Å; V249-E254 HydrophobicContact CG2-CB 3.88Å; V249-E254 HydrophobicContact CG2-CG 4.15Å; V249-E254 PolarHBondContact N-O 3.31Å; C252-E254 PolarHBondContact O-N 2.92Å | ||
| 255 | F | 91.3 | Very high | 89.5 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 138.3 | -173.7 | -64.9 | -92.6 | 0 | 0 | 0 | 110.3 | L169 F173 V246 L247 R248 L253 C257 I288 | L169-F255 HydrophobicContact CD1-CD1 4.37Å; L169-F255 HydrophobicContact CD1-CD2 3.9Å; L169-F255 HydrophobicContact CD1-CE2 4.08Å; L169-F255 HydrophobicContact CD1-CG 4.05Å; L169-F255 HydrophobicContact CD1-CZ 4.39Å; F173-F255 HydrophobicContact CB-CD2 3.68Å; F173-F255 HydrophobicContact CB-CE2 4.28Å; F173-F255 HydrophobicContact CD1-CD2 4.13Å; F173-F255 AromaticContact CD1-CE2 3.95Å; F173-F255 HydrophobicContact CD1-CE2 3.95Å; F173-F255 HydrophobicContact CD2-CD2 4.34Å; F173-F255 HydrophobicContact CD2-CE2 4.19Å; F173-F255 HydrophobicContact CE1-CE2 4.31Å; F173-F255 AromaticContact CG-CD2 3.8Å; F173-F255 HydrophobicContact CG-CD2 3.8Å; F173-F255 AromaticContact CG-CE2 3.88Å; F173-F255 HydrophobicContact CG-CE2 3.88Å; V246-F255 HydrophobicContact CG2-CD1 4Å; V246-F255 HydrophobicContact CG2-CE1 4.05Å; L247-F255 CarbonylContact O-C 3.54Å; L247-F255 WeakPolarHBondContact O-CA 3.48Å; R248-F255 HydrophobicContact CB-CD1 3.9Å; R248-F255 HydrophobicContact CB-CE1 3.83Å; R248-F255 HydrophobicContact CG-CD1 4.02Å; R248-F255 HydrophobicContact CG-CE1 3.77Å; R248-F255 HydrophobicContact CG-CZ 4.05Å; L253-F255 HydrophobicContact CB-CE2 4.47Å; L253-F255 HydrophobicContact CD2-CZ 4.45Å; F255-C257 PolarHBondContact O-N 2.97Å; F255-I288 HydrophobicContact CE1-CD1 3.61Å; F255-I288 HydrophobicContact CZ-CD1 3.77Å |
| 256 | L | 91.1 | Very high | 89.5 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 84.7 | 171.1 | -81.5 | 65.5 | 0 | 0 | 0 | 107.4 | P219 L247 V249 L262 Y265 I268 L280 | P219-L256 HydrophobicContact CB-CB 4.32Å; P219-L256 HydrophobicContact CG-CB 4.15Å; L247-L256 HydrophobicContact CB-CB 4.02Å; L247-L256 PolarHBondContact O-N 2.95Å; V249-L256 HydrophobicContact CG2-CD1 3.81Å; L256-L262 HydrophobicContact CD2-CD2 3.88Å; L256-Y265 HydrophobicContact CB-CD1 4.28Å; L256-Y265 HydrophobicContact CB-CE1 4.05Å; L256-Y265 HydrophobicContact CD2-CG 4.34Å; L256-Y265 HydrophobicContact CG-CD1 3.75Å; L256-Y265 HydrophobicContact CG-CD2 4.42Å; L256-Y265 HydrophobicContact CG-CE1 4.05Å; L256-Y265 HydrophobicContact CG-CG 3.95Å; L256-I268 HydrophobicContact CD2-CD1 4.09Å; L256-I268 HydrophobicContact CD2-CG1 4.09Å; L256-L280 HydrophobicContact CD1-CD2 3.96Å; L256-L280 HydrophobicContact CD2-CD1 3.86Å; L256-L280 HydrophobicContact CD2-CD2 4.12Å |
| 257 | C | 83.7 | Confident | 89.6 | Confident | 19 Ų | 19 | 29.4 Ų | 29.4 | 13% | 0.128 | 15% | 0.154 | C | C | . | . | trans | -113.9 | 157.8 | 178.3 | 60.5 | 0 | 0 | 0 | 0 | 111.2 | Q170 F255 Y265 | Q170-C257 HydrophobicContact CG-CB 4.43Å; F255-C257 PolarHBondContact O-N 2.97Å; C257-Y265 PolarHBondContact O-OH 2.71Å | ||
| 258 | G | 82.8 | Confident | 89.5 | Confident | 29 Ų | 29 | 29.4 Ų | 29.4 | 30% | 0.299 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 92.2 | 171.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y265 | G258-Y265 PolarHBondContact O-OH 3.38Š|
| 259 | D | 85.3 | Confident | 89.1 | Confident | 127 Ų | 127 | 31.1 Ų | 31.1 | 68% | 0.679 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -103.5 | 69.5 | -176.7 | -166.9 | 23.6 | 0 | 0 | 0 | 110.1 | T218 | T218-D259 WeakPolarHBondContact CG2-OD1 3.29Š|
| 260 | H | 89.9 | Confident | 88.6 | Confident | 65 Ų | 65 | 34.5 Ų | 34.5 | 30% | 0.301 | 18% | 0.181 | S | C | . | . | trans | -123.1 | 147.3 | -178.1 | -62.9 | -78.7 | 0 | 0 | 0 | 110.6 | L177 P219 Q264 Y265 | L177-H260 HydrophobicContact CD2-CB 4.19Å; P219-H260 WeakPolarHBondContact CD-O 3.5Å; H260-Q264 PolarHBondContact ND1-OE1 3.38Å; H260-Y265 HydrophobicContact CB-CE2 3.9Å | ||
| 261 | P | 91.4 | Very high | 88.3 | Confident | 43 Ų | 43 | 35 Ų | 35 | 28% | 0.279 | 18% | 0.184 | S | C | . | . | trans | -56.7 | 140.6 | 170.1 | -25.9 | 34.3 | 0 | 0 | 0 | 112.2 | W217 I263 Q264 | W217-P261 CarbonylContact O-C 3.46Å; W217-P261 WeakPolarHBondContact O-CA 3.49Å; P261-I263 HydrophobicContact CB-CG2 3.99Å; P261-I263 PolarHBondContact O-N 2.86Å; P261-I263 VanDerWaalsContact O-N 3.09Å; P261-Q264 HydrophobicContact CB-CG 4.42Å; P261-Q264 WeakPolarHBondContact O-CB 3.45Å; P261-Q264 PolarHBondContact O-N 3.07Å | ||
| 262 | L | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -52 | -37.5 | -179.6 | -76.3 | 172.7 | 0 | 0 | 0 | 112.4 | L196 V213 W217 L222 L256 Q264 Y265 I268 | L196-L262 HydrophobicContact CD2-CD1 4.26Å; V213-L262 HydrophobicContact CG2-CD1 4.08Å; W217-L262 HydrophobicContact CB-CD1 4.12Å; W217-L262 VanDerWaalsContact O-CG 3.29Å; W217-L262 WeakPolarHBondContact O-CG 3.35Å; W217-L262 PolarHBondContact O-N 3.46Å; L222-L262 HydrophobicContact CB-CD1 4.36Å; L222-L262 HydrophobicContact CD2-CD1 3.95Å; L222-L262 HydrophobicContact CD2-CD2 4Å; L256-L262 HydrophobicContact CD2-CD2 3.88Å; L262-Q264 PolarHBondContact O-N 2.86Å; L262-Y265 PolarHBondContact O-N 2.83Å; L262-Y265 VanDerWaalsContact O-N 3.14Å; L262-I268 HydrophobicContact CB-CG2 4.42Å; L262-I268 WeakPolarHBondContact O-CB 3.47Å; L262-I268 WeakPolarHBondContact O-CG1 3.27Å; L262-I268 WeakPolarHBondContact O-CG2 3.36Å |
| 263 | I | 87.8 | Confident | 87.3 | Confident | 44 Ų | 44 | 37.9 Ų | 37.9 | 23% | 0.226 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -63.3 | -18.1 | 178.1 | -167.9 | 59.2 | 0 | 0 | 0 | 114.9 | S215 P261 R269 L272 | S215-I263 PolarHBondContact O-N 3.4Å; S215-I263 VanDerWaalsContact O-N 3.14Å; P261-I263 HydrophobicContact CB-CG2 3.99Å; P261-I263 PolarHBondContact O-N 2.86Å; P261-I263 VanDerWaalsContact O-N 3.09Å; I263-R269 PolarHBondContact O-NE 3.21Å; I263-R269 VanDerWaalsContact O-NE 3.1Å; I263-R269 PolarHBondContact O-NH2 2.9Å; I263-R269 VanDerWaalsContact O-NH2 3.07Å; I263-L272 HydrophobicContact CD1-CD1 3.26Å |
| 264 | Q | 87.8 | Confident | 86.4 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 17% | 0.173 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -80.9 | -24.5 | 176.2 | -67.7 | -176 | -9.5 | 0 | 0 | 112.3 | L177 E178 H260 P261 L262 K266 | L177-Q264 WeakPolarHBondContact CA-O 3.23Å; L177-Q264 HydrophobicContact CD2-CB 4.29Å; E178-Q264 PolarHBondContact N-O 3.24Å; H260-Q264 PolarHBondContact ND1-OE1 3.38Å; P261-Q264 HydrophobicContact CB-CG 4.42Å; P261-Q264 WeakPolarHBondContact O-CB 3.45Å; P261-Q264 PolarHBondContact O-N 3.07Å; L262-Q264 PolarHBondContact O-N 2.86Å; Q264-K266 PolarHBondContact O-N 2.68Å |
| 265 | Y | 89.9 | Confident | 85.7 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -70.2 | 123.3 | 177 | -67.4 | -90.4 | 0 | 0 | 0 | 109.9 | P175 L177 P219 L256 C257 G258 H260 L262 Y267 I268 R269 | P175-Y265 HydrophobicContact CB-CD1 4.13Å; P175-Y265 HydrophobicContact CB-CE1 3.63Å; L177-Y265 HydrophobicContact CD2-CD1 3.84Å; L177-Y265 HydrophobicContact CD2-CD2 4.42Å; L177-Y265 HydrophobicContact CD2-CE1 3.85Å; L177-Y265 HydrophobicContact CD2-CE2 4.44Å; L177-Y265 HydrophobicContact CD2-CG 4.14Å; P219-Y265 HydrophobicContact CG-CE2 3.68Å; P219-Y265 WeakPolarHBondContact CG-OH 3.47Å; L256-Y265 HydrophobicContact CB-CD1 4.28Å; L256-Y265 HydrophobicContact CB-CE1 4.05Å; L256-Y265 HydrophobicContact CD2-CG 4.34Å; L256-Y265 HydrophobicContact CG-CD1 3.75Å; L256-Y265 HydrophobicContact CG-CD2 4.42Å; L256-Y265 HydrophobicContact CG-CE1 4.05Å; L256-Y265 HydrophobicContact CG-CG 3.95Å; C257-Y265 PolarHBondContact O-OH 2.71Å; G258-Y265 PolarHBondContact O-OH 3.38Å; H260-Y265 HydrophobicContact CB-CE2 3.9Å; L262-Y265 PolarHBondContact O-N 2.83Å; L262-Y265 VanDerWaalsContact O-N 3.14Å; Y265-Y267 PolarHBondContact O-N 3.47Å; Y265-I268 WeakPolarHBondContact O-CB 3.4Å; Y265-I268 PolarHBondContact O-N 3.39Å; Y265-R269 PolarHBondContact O-N 3.1Å |
| 266 | K | 87.1 | Confident | 85.4 | Confident | 73 Ų | 73 | 50.5 Ų | 50.5 | 32% | 0.317 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -53.1 | -42 | -176.6 | -177.6 | 172.7 | -176 | 164.8 | 0 | 112.7 | Q176 E178 Q264 R269 T270 | Q176-K266 HydrophobicContact CB-CB 3.93Å; Q176-K266 HydrophobicContact CB-CD 4.29Å; Q176-K266 VanDerWaalsContact O-CB 3.31Å; Q176-K266 WeakPolarHBondContact O-CB 3.37Å; Q176-K266 PolarHBondContact O-N 3.36Å; E178-K266 HydrophobicContact CG-CB 4.14Å; E178-K266 HydrophobicContact CG-CG 4.35Å; Q264-K266 PolarHBondContact O-N 2.68Å; K266-R269 PolarHBondContact O-N 2.85Å; K266-T270 WeakPolarHBondContact O-CB 3.35Å; K266-T270 PolarHBondContact O-N 3.32Å; K266-T270 PolarHBondContact O-OG1 2.95Å |
| 267 | Y | 90.8 | Very high | 85.4 | Confident | 32 Ų | 32 | 52.2 Ų | 52.2 | 13% | 0.125 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.6 | -48.9 | 176.2 | 175.2 | -116.9 | 0 | 0 | 0 | 112.1 | V249 H251 Y265 R269 T270 C271 P278 H279 L280 | V249-Y267 HydrophobicContact CB-CD1 4.35Å; V249-Y267 HydrophobicContact CB-CE1 4.42Å; V249-Y267 HydrophobicContact CG1-CD1 3.96Å; V249-Y267 HydrophobicContact CG1-CD2 4.11Å; V249-Y267 HydrophobicContact CG1-CE1 3.75Å; V249-Y267 HydrophobicContact CG1-CE2 3.96Å; V249-Y267 HydrophobicContact CG1-CG 4.12Å; V249-Y267 HydrophobicContact CG2-CD1 3.55Å; V249-Y267 HydrophobicContact CG2-CE1 4.07Å; V249-Y267 HydrophobicContact CG2-CG 3.85Å; H251-Y267 AromaticContact CE1-CE2 3.49Å; H251-Y267 VanDerWaalsContact CE1-CE2 3.49Å; H251-Y267 WeakPolarHBondContact CE1-CE2 3.26Å; H251-Y267 AromaticContact CE1-CZ 3.93Å; Y265-Y267 PolarHBondContact O-N 3.47Å; Y267-R269 PolarHBondContact O-N 3.3Å; Y267-T270 PolarHBondContact O-N 3.49Å; Y267-C271 WeakPolarHBondContact CE2-SG 3.38Å; Y267-C271 VanDerWaalsContact CZ-SG 3.55Å; Y267-C271 PolarHBondContact O-N 2.98Å; Y267-C271 PolarHBondContact O-SG 2.73Å; Y267-P278 HydrophobicContact CE1-CB 3.91Å; Y267-H279 PolarHBondContact OH-N 2.85Å; Y267-H279 PolarHBondContact OH-O 2.94Å; Y267-L280 HydrophobicContact CD1-CD2 4.03Å; Y267-L280 HydrophobicContact CE1-CD2 3.81Å |
| 268 | I | 90.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 179.5 | -58.5 | -58.9 | 0 | 0 | 0 | 110.8 | L196 L256 L262 Y265 T270 C271 L272 P278 L280 | L196-I268 HydrophobicContact CD1-CG2 4.41Å; L196-I268 HydrophobicContact CD2-CG2 3.76Å; L256-I268 HydrophobicContact CD2-CD1 4.09Å; L256-I268 HydrophobicContact CD2-CG1 4.09Å; L262-I268 HydrophobicContact CB-CG2 4.42Å; L262-I268 WeakPolarHBondContact O-CB 3.47Å; L262-I268 WeakPolarHBondContact O-CG1 3.27Å; L262-I268 WeakPolarHBondContact O-CG2 3.36Å; Y265-I268 WeakPolarHBondContact O-CB 3.4Å; Y265-I268 PolarHBondContact O-N 3.39Å; I268-T270 VanDerWaalsContact C-N 3.34Å; I268-T270 PolarHBondContact O-N 3.22Å; I268-C271 PolarHBondContact O-N 3.25Å; I268-L272 HydrophobicContact CG2-CD1 4.12Å; I268-L272 WeakPolarHBondContact O-CG 3.29Å; I268-L272 PolarHBondContact O-N 2.84Å; I268-P278 HydrophobicContact CD1-CB 3.56Å; I268-P278 HydrophobicContact CD1-CG 3.77Å; I268-P278 HydrophobicContact CG2-CG 4.43Å; I268-L280 HydrophobicContact CD1-CD1 4.42Å |
| 269 | R | 85.4 | Confident | 86.3 | Confident | 57 Ų | 57 | 53 Ų | 53 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62 | -42.3 | 177.6 | -170.4 | 175.3 | -63.4 | -171.1 | 2.2 | 111.9 | I263 Y265 K266 Y267 L272 Q273 | I263-R269 PolarHBondContact O-NE 3.21Å; I263-R269 VanDerWaalsContact O-NE 3.1Å; I263-R269 PolarHBondContact O-NH2 2.9Å; I263-R269 VanDerWaalsContact O-NH2 3.07Å; Y265-R269 PolarHBondContact O-N 3.1Å; K266-R269 PolarHBondContact O-N 2.85Å; Y267-R269 PolarHBondContact O-N 3.3Å; R269-L272 PolarHBondContact O-N 3.32Å; R269-Q273 WeakPolarHBondContact O-CB 3.43Å; R269-Q273 WeakPolarHBondContact O-CG 3.32Å; R269-Q273 PolarHBondContact O-N 3.38Å |
| 270 | T | 83.3 | Confident | 86.8 | Confident | 72 Ų | 72 | 46.9 Ų | 46.9 | 44% | 0.442 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.6 | -45 | 177.3 | -56.3 | 0 | 0 | 0 | 0 | 111 | K266 Y267 I268 Q273 A274 | K266-T270 WeakPolarHBondContact O-CB 3.35Å; K266-T270 PolarHBondContact O-N 3.32Å; K266-T270 PolarHBondContact O-OG1 2.95Å; Y267-T270 PolarHBondContact O-N 3.49Å; I268-T270 VanDerWaalsContact C-N 3.34Å; I268-T270 PolarHBondContact O-N 3.22Å; T270-Q273 PolarHBondContact O-N 3.14Å; T270-A274 WeakPolarHBondContact O-CB 3.22Å; T270-A274 PolarHBondContact O-N 3.32Å |
| 271 | C | 85.6 | Confident | 86.9 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -44.3 | 175 | -74.1 | 0 | 0 | 0 | 0 | 112.3 | Y267 I268 A274 K275 E276 P278 | Y267-C271 WeakPolarHBondContact CE2-SG 3.38Å; Y267-C271 VanDerWaalsContact CZ-SG 3.55Å; Y267-C271 PolarHBondContact O-N 2.98Å; Y267-C271 PolarHBondContact O-SG 2.73Å; I268-C271 PolarHBondContact O-N 3.25Å; C271-A274 CarbonylContact O-C 3.5Å; C271-A274 PolarHBondContact O-N 2.85Å; C271-K275 PolarHBondContact O-N 3.45Å; C271-E276 CarbonylContact C-O 3.58Å; C271-E276 WeakPolarHBondContact CB-O 3.45Å; C271-E276 PolarHBondContact O-N 3.16Å; C271-E276 VanDerWaalsContact O-O 3.11Å; C271-P278 HydrophobicContact CB-CB 4.23Å; C271-P278 HydrophobicContact CB-CG 3.75Å |
| 272 | L | 83.2 | Confident | 86.9 | Confident | 55 Ų | 55 | 42.2 Ų | 42.2 | 29% | 0.288 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.7 | -45.6 | 176.5 | -82.7 | 170 | 0 | 0 | 0 | 112.5 | L196 I263 I268 R269 A274 K275 | L196-L272 HydrophobicContact CD1-CD1 4.05Å; L196-L272 HydrophobicContact CD1-CD2 3.4Å; L196-L272 HydrophobicContact CD1-CG 3.63Å; I263-L272 HydrophobicContact CD1-CD1 3.26Å; I268-L272 HydrophobicContact CG2-CD1 4.12Å; I268-L272 WeakPolarHBondContact O-CG 3.29Å; I268-L272 PolarHBondContact O-N 2.84Å; R269-L272 PolarHBondContact O-N 3.32Å; L272-A274 VanDerWaalsContact C-N 3.31Å; L272-A274 PolarHBondContact O-N 3.21Å; L272-K275 PolarHBondContact O-N 3.21Å |
| 273 | Q | 74.2 | Confident | 86.8 | Confident | 74 Ų | 74 | 42.4 Ų | 42.4 | 35% | 0.346 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62 | -39.7 | 176.1 | -74.2 | 172.5 | -20.2 | 0 | 0 | 111.7 | R269 T270 K275 | R269-Q273 WeakPolarHBondContact O-CB 3.43Å; R269-Q273 WeakPolarHBondContact O-CG 3.32Å; R269-Q273 PolarHBondContact O-N 3.38Å; T270-Q273 PolarHBondContact O-N 3.14Å; Q273-K275 PolarHBondContact O-N 2.76Å |
| 274 | A | 72.1 | Confident | 86.8 | Confident | 39 Ų | 39 | 43 Ų | 43 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -73 | -9.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T270 C271 L272 E276 | T270-A274 WeakPolarHBondContact O-CB 3.22Å; T270-A274 PolarHBondContact O-N 3.32Å; C271-A274 CarbonylContact O-C 3.5Å; C271-A274 PolarHBondContact O-N 2.85Å; L272-A274 VanDerWaalsContact C-N 3.31Å; L272-A274 PolarHBondContact O-N 3.21Å; A274-E276 HydrophobicContact CB-CB 4.38Å; A274-E276 HydrophobicContact CB-CG 4.13Å; A274-E276 PolarHBondContact O-N 2.93Å |
| 275 | K | 76.7 | Confident | 86.8 | Confident | 167 Ų | 167 | 43.4 Ų | 43.4 | 73% | 0.726 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | 36.4 | -170.2 | -55.5 | -178.1 | 179.6 | -178.5 | 0 | 112.6 | C271 L272 Q273 | C271-K275 PolarHBondContact O-N 3.45Å; L272-K275 PolarHBondContact O-N 3.21Å; Q273-K275 PolarHBondContact O-N 2.76Å |
| 276 | E | 84 | Confident | 86.7 | Confident | 111 Ų | 111 | 45.8 Ų | 45.8 | 52% | 0.519 | 23% | 0.234 | S | C | . | . | trans | -110.5 | 143.5 | 176.7 | -68 | -176.7 | 171.2 | 0 | 0 | 110.1 | C271 A274 | C271-E276 CarbonylContact C-O 3.58Å; C271-E276 WeakPolarHBondContact CB-O 3.45Å; C271-E276 PolarHBondContact O-N 3.16Å; C271-E276 VanDerWaalsContact O-O 3.11Å; A274-E276 HydrophobicContact CB-CB 4.38Å; A274-E276 HydrophobicContact CB-CG 4.13Å; A274-E276 PolarHBondContact O-N 2.93Å | ||
| 277 | P | 90.6 | Very high | 86.8 | Confident | 42 Ų | 42 | 44.3 Ų | 44.3 | 27% | 0.273 | 23% | 0.231 | S | C | . | . | trans | -69.6 | 131.3 | 175.8 | 28.7 | -33 | 0 | 0 | 0 | 110.4 | K197 I199 H279 | K197-P277 WeakPolarHBondContact O-CA 3.48Å; K197-P277 VanDerWaalsContact O-CB 3.24Å; K197-P277 WeakPolarHBondContact O-CB 3.4Å; I199-P277 HydrophobicContact CD1-CB 3.87Å; I199-P277 HydrophobicContact CD1-CG 3.6Å; I199-P277 HydrophobicContact CG1-CB 4.11Å; I199-P277 HydrophobicContact CG1-CG 4.4Å; P277-H279 PolarHBondContact O-CD2 3.46Å; P277-H279 PolarHBondContact O-N 3.11Å | ||
| 278 | P | 93.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -63.6 | 137.8 | 172.5 | -16.7 | 27.8 | 0 | 0 | 0 | 111.1 | L196 K197 I199 Y267 I268 C271 | L196-P278 HydrophobicContact CD1-CG 3.93Å; L196-P278 HydrophobicContact CD2-CG 4.41Å; L196-P278 HydrophobicContact CG-CG 4.46Å; K197-P278 VanDerWaalsContact O-CD 3.29Å; K197-P278 WeakPolarHBondContact O-CD 3.11Å; I199-P278 PolarHBondContact N-O 2.86Å; Y267-P278 HydrophobicContact CE1-CB 3.91Å; I268-P278 HydrophobicContact CD1-CB 3.56Å; I268-P278 HydrophobicContact CD1-CG 3.77Å; I268-P278 HydrophobicContact CG2-CG 4.43Å; C271-P278 HydrophobicContact CB-CB 4.23Å; C271-P278 HydrophobicContact CB-CG 3.75Å | ||
| 279 | H | 93.5 | Very high | 86.8 | Confident | 63 Ų | 63 | 48.8 Ų | 48.8 | 29% | 0.292 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 112.5 | 175.7 | -70.5 | -98.8 | 0 | 0 | 0 | 109.8 | I199 H201 S250 Y267 P277 | I199-H279 WeakPolarHBondContact CD1-CE1 3.45Å; I199-H279 WeakPolarHBondContact O-CA 3.32Å; H201-H279 AromaticContact NE2-ND1 3.28Å; H201-H279 PolarHBondContact NE2-ND1 3.45Å; S250-H279 WeakPolarHBondContact CB-O 3.19Å; S250-H279 PolarHBondContact N-O 2.75Å; S250-H279 PolarHBondContact OG-O 3.46Å; Y267-H279 PolarHBondContact OH-N 2.85Å; Y267-H279 PolarHBondContact OH-O 2.94Å; P277-H279 PolarHBondContact O-CD2 3.46Å; P277-H279 PolarHBondContact O-N 3.11Å |
| 280 | L | 94.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 151.3 | 178.1 | -54.5 | 176 | 0 | 0 | 0 | 110.9 | V198 I199 I200 H201 L222 L247 R248 V249 S250 L256 Y267 I268 | V198-L280 HydrophobicContact CG1-CD1 3.9Å; V198-L280 HydrophobicContact CG1-CG 4.16Å; I199-L280 PolarHBondContact O-N 3.27Å; I200-L280 CarbonylContact C-O 3.47Å; I200-L280 WeakPolarHBondContact CA-O 3.5Å; I200-L280 HydrophobicContact CD1-CB 3.96Å; I200-L280 HydrophobicContact CD1-CD1 4.35Å; H201-L280 PolarHBondContact CD2-O 3.44Å; H201-L280 PolarHBondContact N-O 3.45Å; L222-L280 HydrophobicContact CD2-CD1 3.73Å; L247-L280 HydrophobicContact CD1-CD1 4.29Å; L247-L280 HydrophobicContact CD2-CB 4.07Å; L247-L280 HydrophobicContact CD2-CD1 4.25Å; R248-L280 CarbonylContact O-C 3.5Å; R248-L280 VanDerWaalsContact O-CA 3.27Å; R248-L280 WeakPolarHBondContact O-CA 3.43Å; V249-L280 HydrophobicContact CG2-CD2 4.29Å; S250-L280 WeakPolarHBondContact OG-CA 3.35Å; S250-L280 PolarHBondContact OG-N 2.97Å; S250-L280 VanDerWaalsContact OG-N 3.16Å; S250-L280 PolarHBondContact OG-O 2.87Å; L256-L280 HydrophobicContact CD1-CD2 3.96Å; L256-L280 HydrophobicContact CD2-CD1 3.86Å; L256-L280 HydrophobicContact CD2-CD2 4.12Å; Y267-L280 HydrophobicContact CD1-CD2 4.03Å; Y267-L280 HydrophobicContact CE1-CD2 3.81Å; I268-L280 HydrophobicContact CD1-CD1 4.42Å |
| 281 | T | 92.8 | Very high | 87.5 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 5% | 0.049 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.6 | 175.3 | -49.8 | 0 | 0 | 0 | 0 | 109.1 | H201 D203 R248 S250 V283 | H201-T281 HydrophobicContact CB-CG2 4.32Å; H201-T281 CarbonylContact O-C 3.59Å; H201-T281 WeakPolarHBondContact O-CA 3.4Å; D203-T281 HydrophobicContact CB-CG2 4.42Å; R248-T281 PolarHBondContact N-O 3.24Å; R248-T281 PolarHBondContact NH2-OG1 3.21Å; R248-T281 PolarHBondContact O-N 3.16Å; S250-T281 WeakPolarHBondContact CA-OG1 2.86Å; S250-T281 PolarHBondContact OG-OG1 3.23Å; T281-V283 HydrophobicContact CG2-CG2 4.18Å; T281-V283 PolarHBondContact O-N 2.97Å |
| 282 | L | 91.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 114.1 | 167.1 | -83.2 | 169.7 | 0 | 0 | 0 | 109.2 | I200 H201 F202 D203 M223 A226 V227 Y245 L247 | I200-L282 HydrophobicContact CG2-CD1 3.83Å; I200-L282 HydrophobicContact CG2-CG 3.94Å; H201-L282 PolarHBondContact O-N 2.95Å; F202-L282 HydrophobicContact CD1-CB 4.35Å; F202-L282 HydrophobicContact CD1-CD1 3.86Å; F202-L282 HydrophobicContact CE1-CD1 3.37Å; F202-L282 HydrophobicContact CZ-CD1 4.15Å; D203-L282 VanDerWaalsContact CB-O 3.31Å; D203-L282 WeakPolarHBondContact CB-O 3.38Å; D203-L282 PolarHBondContact N-O 3.25Å; D203-L282 VanDerWaalsContact N-O 3.16Å; M223-L282 HydrophobicContact CB-CD2 4.08Å; M223-L282 HydrophobicContact CG-CD2 3.75Å; M223-L282 HydrophobicContact SD-CD2 4.24Å; A226-L282 HydrophobicContact CB-CD1 3.65Å; V227-L282 HydrophobicContact CG2-CD1 3.89Å; Y245-L282 HydrophobicContact CD1-CB 4.33Å; Y245-L282 HydrophobicContact CG-CD2 4.36Å; L247-L282 HydrophobicContact CD2-CD2 3.91Å; L247-L282 HydrophobicContact CD2-CG 4.19Å; L247-L282 HydrophobicContact CG-CD2 4.5Å |
| 283 | V | 89.3 | Confident | 88.2 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.2 | 179.9 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | Y245 V246 R248 T281 T287 I288 | Y245-V283 CarbonylContact C-O 3.51Å; Y245-V283 WeakPolarHBondContact CA-O 3.43Å; V246-V283 HydrophobicContact CG2-CB 4.03Å; V246-V283 PolarHBondContact N-O 2.83Å; V246-V283 PolarHBondContact O-N 3.32Å; R248-V283 HydrophobicContact CB-CG2 3.9Å; T281-V283 HydrophobicContact CG2-CG2 4.18Å; T281-V283 PolarHBondContact O-N 2.97Å; V283-T287 HydrophobicContact CG1-CG2 4.26Å; V283-I288 HydrophobicContact CG1-CD1 4.34Å |
| 284 | H | 87.4 | Confident | 89 | Confident | 57 Ų | 57 | 58.1 Ų | 58.1 | 26% | 0.264 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 141.2 | 178.3 | -169.3 | -101 | 0 | 0 | 0 | 111.1 | Q244 Y245 S286 T287 | Q244-H284 PolarHBondContact O-CD2 2.95Å; Q244-H284 PolarHBondContact OE1-NE2 2.97Å; Y245-H284 HydrophobicContact CD1-CB 4.39Å; Y245-H284 HydrophobicContact CE1-CB 4.19Å; Y245-H284 AromaticContact CE1-CD2 3.99Å; H284-S286 VanDerWaalsContact ND1-CB 3.32Å; H284-S286 WeakPolarHBondContact ND1-CB 3.24Å; H284-S286 PolarHBondContact ND1-N 2.82Å; H284-S286 PolarHBondContact ND1-OG 3.15Å; H284-S286 PolarHBondContact O-N 2.92Å; H284-S286 VanDerWaalsContact O-N 3.15Å; H284-T287 WeakPolarHBondContact O-CB 3.42Å; H284-T287 PolarHBondContact O-N 3.29Å; H284-T287 VanDerWaalsContact O-N 3.1Å |
| 285 | T | 87.8 | Confident | 89.9 | Confident | 45 Ų | 45 | 57.3 Ų | 57.3 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.7 | -22.4 | -177.6 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | Q244 V246 T287 I288 K289 | Q244-T285 VanDerWaalsContact C-CG2 3.42Å; Q244-T285 WeakPolarHBondContact O-CB 3.47Å; Q244-T285 VanDerWaalsContact O-CG2 3.22Å; Q244-T285 WeakPolarHBondContact O-CG2 3.38Å; Q244-T285 PolarHBondContact O-N 3.24Å; Q244-T285 PolarHBondContact O-OG1 3.1Å; V246-T285 HydrophobicContact CG1-CG2 4.24Å; T285-T287 VanDerWaalsContact C-N 3.33Å; T285-T287 PolarHBondContact O-N 3.04Å; T285-I288 PolarHBondContact O-N 3.17Å; T285-K289 WeakPolarHBondContact O-CB 3.38Å; T285-K289 PolarHBondContact O-N 3.13Å |
| 286 | S | 88.6 | Confident | 90.5 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 36% | 0.357 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.2 | -39.8 | 173.2 | 64.6 | 0 | 0 | 0 | 0 | 112.4 | H284 I288 K289 E290 | H284-S286 VanDerWaalsContact ND1-CB 3.32Å; H284-S286 WeakPolarHBondContact ND1-CB 3.24Å; H284-S286 PolarHBondContact ND1-N 2.82Å; H284-S286 PolarHBondContact ND1-OG 3.15Å; H284-S286 PolarHBondContact O-N 2.92Å; H284-S286 VanDerWaalsContact O-N 3.15Å; S286-I288 VanDerWaalsContact C-N 3.3Å; S286-I288 PolarHBondContact O-N 2.99Å; S286-K289 WeakPolarHBondContact O-CB 3.22Å; S286-K289 PolarHBondContact O-N 2.97Å; S286-K289 VanDerWaalsContact O-N 3.16Å; S286-E290 WeakPolarHBondContact O-CG 3.47Å; S286-E290 PolarHBondContact O-N 3.08Å |
| 287 | T | 88.8 | Confident | 90.8 | Very high | 43 Ų | 43 | 48.9 Ų | 48.9 | 26% | 0.264 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 177.9 | -52 | 0 | 0 | 0 | 0 | 110.8 | V283 H284 T285 E290 M291 | V283-T287 HydrophobicContact CG1-CG2 4.26Å; H284-T287 WeakPolarHBondContact O-CB 3.42Å; H284-T287 PolarHBondContact O-N 3.29Å; H284-T287 VanDerWaalsContact O-N 3.1Å; T285-T287 VanDerWaalsContact C-N 3.33Å; T285-T287 PolarHBondContact O-N 3.04Å; T287-E290 PolarHBondContact O-N 3.02Å; T287-M291 WeakPolarHBondContact O-CG 3.41Å; T287-M291 PolarHBondContact O-N 2.65Å |
| 288 | I | 90.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 176.5 | -53.1 | -55.1 | 0 | 0 | 0 | 110.6 | W168 L169 V246 F255 V283 T285 S286 E290 M291 F292 | W168-I288 HydrophobicContact CE3-CG2 4.45Å; W168-I288 HydrophobicContact CZ3-CG2 3.8Å; L169-I288 HydrophobicContact CD1-CG2 4.01Å; L169-I288 HydrophobicContact CD2-CG2 4.3Å; V246-I288 HydrophobicContact CG2-CD1 4.02Å; V246-I288 HydrophobicContact CG2-CG1 3.76Å; F255-I288 HydrophobicContact CE1-CD1 3.61Å; F255-I288 HydrophobicContact CZ-CD1 3.77Å; V283-I288 HydrophobicContact CG1-CD1 4.34Å; T285-I288 PolarHBondContact O-N 3.17Å; S286-I288 VanDerWaalsContact C-N 3.3Å; S286-I288 PolarHBondContact O-N 2.99Å; I288-E290 PolarHBondContact O-N 3.41Å; I288-M291 WeakPolarHBondContact O-CB 3.5Å; I288-M291 PolarHBondContact O-N 2.94Å; I288-F292 PolarHBondContact O-N 2.75Å |
| 289 | K | 90.8 | Very high | 90.2 | Very high | 120 Ų | 120 | 48.7 Ų | 48.7 | 52% | 0.522 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 177.2 | -171.6 | 173.8 | -179.9 | 178.3 | 0 | 112.4 | T285 S286 M291 F292 D293 | T285-K289 WeakPolarHBondContact O-CB 3.38Å; T285-K289 PolarHBondContact O-N 3.13Å; S286-K289 WeakPolarHBondContact O-CB 3.22Å; S286-K289 PolarHBondContact O-N 2.97Å; S286-K289 VanDerWaalsContact O-N 3.16Å; K289-M291 VanDerWaalsContact C-N 3.34Å; K289-M291 PolarHBondContact O-N 3.09Å; K289-F292 WeakPolarHBondContact O-CB 3.45Å; K289-F292 PolarHBondContact O-N 3.44Å; K289-D293 WeakPolarHBondContact O-CB 3.23Å; K289-D293 PolarHBondContact O-N 3.2Å |
| 290 | E | 91.8 | Very high | 89.8 | Confident | 134 Ų | 134 | 47.8 Ų | 47.8 | 63% | 0.626 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.1 | -41.4 | 174.1 | -74.5 | 174.8 | -166 | 0 | 0 | 112.2 | S286 T287 I288 K294 | S286-E290 WeakPolarHBondContact O-CG 3.47Å; S286-E290 PolarHBondContact O-N 3.08Å; T287-E290 PolarHBondContact O-N 3.02Å; I288-E290 PolarHBondContact O-N 3.41Å; E290-K294 VanDerWaalsContact O-CB 3.31Å; E290-K294 WeakPolarHBondContact O-CB 3.45Å; E290-K294 PolarHBondContact O-N 3.46Å |
| 291 | M | 90.8 | Very high | 89.2 | Confident | 57 Ų | 57 | 49.7 Ų | 49.7 | 28% | 0.281 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 174.1 | -65.2 | 172.5 | 65.1 | 0 | 0 | 110.9 | W168 F173 T287 I288 K289 K294 E295 | W168-M291 HydrophobicContact CH2-CB 3.58Å; W168-M291 HydrophobicContact CH2-CE 4.28Å; W168-M291 HydrophobicContact CZ2-CB 4.33Å; W168-M291 HydrophobicContact CZ3-CB 4.35Å; F173-M291 HydrophobicContact CE2-CE 4.16Å; F173-M291 HydrophobicContact CZ-CE 3.78Å; T287-M291 WeakPolarHBondContact O-CG 3.41Å; T287-M291 PolarHBondContact O-N 2.65Å; I288-M291 WeakPolarHBondContact O-CB 3.5Å; I288-M291 PolarHBondContact O-N 2.94Å; K289-M291 VanDerWaalsContact C-N 3.34Å; K289-M291 PolarHBondContact O-N 3.09Å; M291-K294 PolarHBondContact O-N 3.49Å; M291-E295 WeakPolarHBondContact O-CG 3.39Å; M291-E295 PolarHBondContact O-N 3.14Å; M291-E295 VanDerWaalsContact O-N 3.15Å |
| 292 | F | 92.3 | Very high | 88.5 | Confident | 26 Ų | 26 | 50.5 Ų | 50.5 | 11% | 0.114 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.4 | -51.9 | 177.1 | 173 | -103.6 | 0 | 0 | 0 | 112.1 | M163 C165 W168 I288 K289 K294 E295 M296 | M163-F292 WeakPolarHBondContact O-CZ 3.47Å; C165-F292 HydrophobicContact CB-CD1 4.27Å; C165-F292 HydrophobicContact CB-CG 4.21Å; W168-F292 HydrophobicContact CB-CD2 3.61Å; W168-F292 HydrophobicContact CB-CE2 3.75Å; W168-F292 HydrophobicContact CD2-CB 4.17Å; W168-F292 AromaticContact CD2-CD2 3.7Å; W168-F292 HydrophobicContact CD2-CD2 3.7Å; W168-F292 HydrophobicContact CD2-CG 4.43Å; W168-F292 HydrophobicContact CE3-CB 3.88Å; W168-F292 HydrophobicContact CE3-CD2 4.05Å; W168-F292 HydrophobicContact CE3-CG 4.43Å; W168-F292 AromaticContact CG-CD2 3.49Å; W168-F292 HydrophobicContact CG-CD2 3.49Å; W168-F292 VanDerWaalsContact CG-CD2 3.49Å; W168-F292 HydrophobicContact CG-CE2 4.03Å; W168-F292 HydrophobicContact CH2-CB 4.49Å; W168-F292 HydrophobicContact CZ3-CB 4.05Å; I288-F292 PolarHBondContact O-N 2.75Å; K289-F292 WeakPolarHBondContact O-CB 3.45Å; K289-F292 PolarHBondContact O-N 3.44Å; F292-K294 VanDerWaalsContact C-N 3.28Å; F292-K294 PolarHBondContact O-N 2.81Å; F292-E295 PolarHBondContact O-N 2.86Å; F292-E295 VanDerWaalsContact O-N 3.12Å; F292-M296 HydrophobicContact CD1-CG 4.21Å; F292-M296 HydrophobicContact CD2-CE 4.35Å; F292-M296 HydrophobicContact CD2-CG 3.99Å; F292-M296 HydrophobicContact CE1-CG 3.81Å; F292-M296 HydrophobicContact CE2-CE 4.01Å; F292-M296 HydrophobicContact CE2-CG 3.58Å; F292-M296 HydrophobicContact CE2-SD 3.96Å; F292-M296 HydrophobicContact CG-CG 4.31Å; F292-M296 HydrophobicContact CZ-CG 3.48Å; F292-M296 VanDerWaalsContact CZ-CG 3.48Å; F292-M296 HydrophobicContact CZ-SD 4.11Å; F292-M296 WeakPolarHBondContact O-CG 3.26Å; F292-M296 PolarHBondContact O-N 3.4Å |
| 293 | D | 92.6 | Very high | 87.7 | Confident | 80 Ų | 80 | 51.5 Ų | 51.5 | 43% | 0.428 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.5 | -37.9 | -177.8 | -71.4 | -19.7 | 0 | 0 | 0 | 111.2 | K289 S297 | K289-D293 WeakPolarHBondContact O-CB 3.23Å; K289-D293 PolarHBondContact O-N 3.2Å; D293-S297 VanDerWaalsContact O-CB 3.26Å; D293-S297 WeakPolarHBondContact O-CB 3.31Å; D293-S297 PolarHBondContact O-N 3.02Å |
| 294 | K | 90.6 | Very high | 86.5 | Confident | 167 Ų | 167 | 54.6 Ų | 54.6 | 73% | 0.726 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.2 | -45.4 | 174.6 | -176.9 | 179.1 | 178.6 | 179.3 | 0 | 112 | E290 M291 F292 A298 | E290-K294 VanDerWaalsContact O-CB 3.31Å; E290-K294 WeakPolarHBondContact O-CB 3.45Å; E290-K294 PolarHBondContact O-N 3.46Å; M291-K294 PolarHBondContact O-N 3.49Å; F292-K294 VanDerWaalsContact C-N 3.28Å; F292-K294 PolarHBondContact O-N 2.81Å; K294-A298 PolarHBondContact O-N 2.91Å |
| 295 | E | 90.1 | Very high | 85.1 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 11% | 0.107 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 178.2 | -65.2 | -159.8 | 175.7 | 0 | 0 | 112.3 | W168 M291 F292 S297 A298 I299 R671 P707 | W168-E295 HydrophobicContact CZ2-CG 4.28Å; W168-E295 PolarHBondContact NE1-OE2 3.42Å; M291-E295 WeakPolarHBondContact O-CG 3.39Å; M291-E295 PolarHBondContact O-N 3.14Å; M291-E295 VanDerWaalsContact O-N 3.15Å; F292-E295 PolarHBondContact O-N 2.86Å; F292-E295 VanDerWaalsContact O-N 3.12Å; E295-S297 VanDerWaalsContact C-N 3.3Å; E295-S297 PolarHBondContact O-N 2.91Å; E295-A298 WeakPolarHBondContact O-CB 3.48Å; E295-A298 PolarHBondContact O-N 2.94Å; E295-I299 WeakPolarHBondContact O-CG1 3.28Å; E295-I299 PolarHBondContact O-N 2.94Å; E295-R671 IonicContact OE1-CZ 2.65Å; E295-R671 VanDerWaalsContact OE1-CZ 3.23Å; E295-R671 IonicContact OE1-NH1 3.87Å; E295-R671 PolarHBondContact OE1-NH1 3.41Å; E295-R671 IonicContact OE1-NH2 3.93Å; E295-R671 PolarHBondContact OE1-NH2 3.1Å; E295-R671 IonicContact OE2-CZ 3.19Å; E295-R671 IonicContact OE2-NH2 3.85Å; E295-R671 PolarHBondContact OE2-NH2 3.37Å; E295-P707 HydrophobicContact CB-CB 3.93Å; E295-P707 HydrophobicContact CB-CG 3.84Å; E295-P707 HydrophobicContact CG-CB 3.67Å; E295-P707 HydrophobicContact CG-CG 4.16Å |
| 296 | M | 90.6 | Very high | 83.6 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.2 | -35.6 | 177.5 | -70.7 | -53.7 | 108.1 | 0 | 0 | 112.2 | F292 I299 S300 | F292-M296 HydrophobicContact CD1-CG 4.21Å; F292-M296 HydrophobicContact CD2-CE 4.35Å; F292-M296 HydrophobicContact CD2-CG 3.99Å; F292-M296 HydrophobicContact CE1-CG 3.81Å; F292-M296 HydrophobicContact CE2-CE 4.01Å; F292-M296 HydrophobicContact CE2-CG 3.58Å; F292-M296 HydrophobicContact CE2-SD 3.96Å; F292-M296 HydrophobicContact CG-CG 4.31Å; F292-M296 HydrophobicContact CZ-CG 3.48Å; F292-M296 VanDerWaalsContact CZ-CG 3.48Å; F292-M296 HydrophobicContact CZ-SD 4.11Å; F292-M296 WeakPolarHBondContact O-CG 3.26Å; F292-M296 PolarHBondContact O-N 3.4Å; M296-I299 HydrophobicContact CE-CD1 3.66Å; M296-I299 PolarHBondContact O-N 3.07Å; M296-I299 HydrophobicContact SD-CD1 4.39Å; M296-S300 VanDerWaalsContact O-CB 3.24Å; M296-S300 WeakPolarHBondContact O-CB 3.25Å; M296-S300 PolarHBondContact O-N 2.69Å; M296-S300 PolarHBondContact O-OG 2.95Å |
| 297 | S | 88.8 | Confident | 81.3 | Confident | 81 Ų | 81 | 64 Ų | 64 | 57% | 0.566 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | 173.1 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | D293 E295 I299 S300 A301 | D293-S297 VanDerWaalsContact O-CB 3.26Å; D293-S297 WeakPolarHBondContact O-CB 3.31Å; D293-S297 PolarHBondContact O-N 3.02Å; E295-S297 VanDerWaalsContact C-N 3.3Å; E295-S297 PolarHBondContact O-N 2.91Å; S297-I299 PolarHBondContact O-N 3.36Å; S297-S300 PolarHBondContact O-N 3.31Å; S297-A301 PolarHBondContact O-N 2.87Å |
| 298 | A | 85.9 | Confident | 79.1 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 31% | 0.306 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K294 E295 | K294-A298 PolarHBondContact O-N 2.91Å; E295-A298 WeakPolarHBondContact O-CB 3.48Å; E295-A298 PolarHBondContact O-N 2.94Å |
| 299 | I | 86.8 | Confident | 76.6 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.3 | -46 | 175.2 | -66.4 | 168.5 | 0 | 0 | 0 | 110.4 | M157 M160 Q161 E295 M296 S297 A301 V302 V303 P707 | M157-I299 HydrophobicContact CB-CG2 4Å; M157-I299 HydrophobicContact CG-CG2 4.28Å; M157-I299 HydrophobicContact SD-CG2 4.49Å; M160-I299 HydrophobicContact CB-CD1 4.28Å; M160-I299 HydrophobicContact CE-CD1 3.95Å; M160-I299 HydrophobicContact SD-CD1 4.33Å; Q161-I299 HydrophobicContact CG-CG2 3.84Å; E295-I299 WeakPolarHBondContact O-CG1 3.28Å; E295-I299 PolarHBondContact O-N 2.94Å; M296-I299 HydrophobicContact CE-CD1 3.66Å; M296-I299 PolarHBondContact O-N 3.07Å; M296-I299 HydrophobicContact SD-CD1 4.39Å; S297-I299 PolarHBondContact O-N 3.36Å; I299-A301 VanDerWaalsContact C-N 3.29Å; I299-A301 PolarHBondContact O-N 2.84Å; I299-V302 PolarHBondContact O-N 3.05Å; I299-V303 HydrophobicContact CG2-CG2 3.98Å; I299-V303 PolarHBondContact O-N 3.23Å; I299-P707 HydrophobicContact CD1-CG 4Å; I299-P707 HydrophobicContact CG1-CG 3.97Å |
| 300 | S | 85.1 | Confident | 74.5 | Confident | 43 Ų | 43 | 73.1 Ų | 73.1 | 30% | 0.301 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.6 | -34 | -177.2 | -61 | 0 | 0 | 0 | 0 | 113 | Q161 M296 S297 V302 V303 S304 | Q161-S300 PolarHBondContact NE2-OG 3.24Å; M296-S300 VanDerWaalsContact O-CB 3.24Å; M296-S300 WeakPolarHBondContact O-CB 3.25Å; M296-S300 PolarHBondContact O-N 2.69Å; M296-S300 PolarHBondContact O-OG 2.95Å; S297-S300 PolarHBondContact O-N 3.31Å; S300-V302 PolarHBondContact O-N 2.8Å; S300-V303 PolarHBondContact O-N 3.5Å; S300-S304 VanDerWaalsContact O-CB 3.26Å; S300-S304 WeakPolarHBondContact O-CB 3.3Å; S300-S304 PolarHBondContact O-N 3.14Å; S300-S304 PolarHBondContact O-OG 3.15Å |
| 301 | A | 80.6 | Confident | 72.1 | Confident | 40 Ų | 40 | 72.3 Ų | 72.3 | 33% | 0.331 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59 | -28.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S297 I299 R305 | S297-A301 PolarHBondContact O-N 2.87Å; I299-A301 VanDerWaalsContact C-N 3.29Å; I299-A301 PolarHBondContact O-N 2.84Å; A301-R305 WeakPolarHBondContact O-CD 3.24Å |
| 302 | V | 78.1 | Confident | 69.8 | Low | 26 Ų | 26 | 76.8 Ų | 76.8 | 16% | 0.158 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -92.1 | -43.2 | 179.8 | -179.6 | 0 | 0 | 0 | 0 | 111.8 | L119 I299 S300 I706 | L119-V302 HydrophobicContact CD2-CG1 4.15Å; I299-V302 PolarHBondContact O-N 3.05Å; S300-V302 PolarHBondContact O-N 2.8Å; V302-I706 HydrophobicContact CB-CD1 3.9Å; V302-I706 HydrophobicContact CG1-CD1 3.93Å; V302-I706 HydrophobicContact CG2-CD1 3.72Å |
| 303 | V | 75.8 | Confident | 67.2 | Low | 23 Ų | 23 | 81.1 Ų | 81.1 | 14% | 0.139 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -72.4 | -45.9 | -177.2 | 179.2 | 0 | 0 | 0 | 0 | 112.6 | M157 Q158 I299 S300 R305 K306 | M157-V303 HydrophobicContact CB-CG2 3.87Å; M157-V303 HydrophobicContact CE-CG2 4.46Å; M157-V303 HydrophobicContact SD-CG2 4.37Å; Q158-V303 HydrophobicContact CG-CG1 4.2Å; I299-V303 HydrophobicContact CG2-CG2 3.98Å; I299-V303 PolarHBondContact O-N 3.23Å; S300-V303 PolarHBondContact O-N 3.5Å; V303-R305 VanDerWaalsContact C-N 3.27Å; V303-R305 PolarHBondContact O-N 2.96Å; V303-K306 PolarHBondContact O-N 3.23Å |
| 304 | S | 63.8 | Low | 64.7 | Low | 67 Ų | 67 | 83.3 Ų | 83.3 | 47% | 0.469 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -65.5 | -26.1 | -172.3 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | S300 S307 | S300-S304 VanDerWaalsContact O-CB 3.26Å; S300-S304 WeakPolarHBondContact O-CB 3.3Å; S300-S304 PolarHBondContact O-N 3.14Å; S300-S304 PolarHBondContact O-OG 3.15Å; S304-S307 PolarHBondContact O-OG 3.08Å |
| 305 | R | 58.3 | Low | 62.3 | Low | 159 Ų | 159 | 80.2 Ų | 80.2 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -86.5 | -3.1 | -174.1 | -63 | -174.5 | -177.6 | -178.6 | 5.4 | 113.9 | A301 V303 | A301-R305 WeakPolarHBondContact O-CD 3.24Å; V303-R305 VanDerWaalsContact C-N 3.27Å; V303-R305 PolarHBondContact O-N 2.96Å |
| 306 | K | 56 | Low | 59.8 | Low | 89 Ų | 89 | 85.1 Ų | 85.1 | 39% | 0.387 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -98.4 | 7.5 | 175.2 | -75.5 | -169.1 | 173.2 | -171.6 | 0 | 114.4 | E116 V303 S308 | E116-K306 IonicContact OE1-NZ 3.3Å; E116-K306 PolarHBondContact OE1-NZ 3.37Å; E116-K306 IonicContact OE2-NZ 2.7Å; V303-K306 PolarHBondContact O-N 3.23Å; K306-S308 PolarHBondContact O-N 2.9Å |
| 307 | S | 39.8 | Very low | 57.2 | Low | 103 Ų | 103 | 91.8 Ų | 91.8 | 72% | 0.72 | 54% | 0.54 | S | S | * | . | trans | -70.8 | 31.4 | 176.5 | 64.1 | 0 | 0 | 0 | 0 | 115.4 | S304 N309 | S304-S307 PolarHBondContact O-OG 3.08Å; S307-N309 PolarHBondContact O-N 2.99Å | ||
| 308 | S | 41.5 | Very low | 54.9 | Low | 104 Ų | 104 | 99.2 Ų | 99.2 | 73% | 0.727 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -78.9 | 105.7 | 153.2 | 29 | 0 | 0 | 0 | 0 | 105.7 | K306 | K306-S308 PolarHBondContact O-N 2.9Š|
| 309 | N | 39.2 | Very low | 52.7 | Low | 146 Ų | 146 | 108.7 Ų | 108.7 | 78% | 0.781 | 58% | 0.584 | S | S | * | * | trans | -4.9 | 117.3 | 179.3 | -71.4 | -30.8 | 0 | 0 | 0 | 113.9 | S307 P311 | S307-N309 PolarHBondContact O-N 2.99Å; N309-P311 VanDerWaalsContact O-N 3.15Å | ||
| 310 | P | 47.1 | Very low | 50.4 | Low | 110 Ų | 110 | 113.5 Ų | 113.5 | 71% | 0.714 | 61% | 0.613 | S | S | * | * | trans | -50.3 | 132.9 | 164.3 | 21.9 | -28.7 | 0 | 0 | 0 | 106.2 | L312 | P310-L312 PolarHBondContact O-N 3.28Š| ||
| 311 | P | 41.3 | Very low | 48.3 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 75% | 0.753 | 63% | 0.633 | S | S | * | * | trans | -49.9 | 125.4 | 172.3 | 20.2 | -28.8 | 0 | 0 | 0 | 105.6 | N309 | N309-P311 VanDerWaalsContact O-N 3.15Š| ||
| 312 | L | 41.3 | Very low | 47 | Very low | 152 Ų | 152 | 121 Ų | 121 | 80% | 0.796 | 66% | 0.655 | S | S | * | * | trans | -37.6 | 132.8 | 172.5 | -77.3 | 160.8 | 0 | 0 | 0 | 106.6 | P310 L314 | P310-L312 PolarHBondContact O-N 3.28Å; L312-L314 PolarHBondContact O-N 3Å | ||
| 313 | P | 39 | Very low | 46.2 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | trans | -46.5 | 114.2 | 176.2 | 18.7 | -29.6 | 0 | 0 | 0 | 105.3 | ||||
| 314 | L | 39 | Very low | 46.2 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | trans | -47.7 | 125.8 | -175.1 | -79.8 | 163.6 | 0 | 0 | 0 | 104.4 | L312 | L312-L314 PolarHBondContact O-N 3Š| ||
| 315 | P | 40.6 | Very low | 47.3 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 67% | 0.669 | 70% | 0.702 | S | S | * | * | trans | -45.9 | 127.3 | 175.5 | 19.3 | -30.9 | 0 | 0 | 0 | 105.1 | K317 | P315-K317 WeakPolarHBondContact O-CA 3.4Å; P315-K317 PolarHBondContact O-N 3.19Å | ||
| 316 | P | 38.1 | Very low | 48.9 | Very low | 125 Ų | 125 | 126 Ų | 126 | 81% | 0.812 | 68% | 0.682 | S | S | * | * | trans | -42.5 | 110.6 | -165.4 | 15.2 | -30.5 | 0 | 0 | 0 | 105.7 | R318 | P316-R318 PolarHBondContact O-N 3.23Š| ||
| 317 | K | 36.3 | Very low | 50.7 | Low | 160 Ų | 160 | 122.3 Ų | 122.3 | 70% | 0.696 | 67% | 0.667 | S | S | * | * | trans | -43.1 | 114.3 | -168.9 | -89 | -176.5 | 177.7 | 176.9 | 0 | 104 | P315 R319 | P315-K317 WeakPolarHBondContact O-CA 3.4Å; P315-K317 PolarHBondContact O-N 3.19Å; K317-R319 WeakPolarHBondContact O-CA 3.1Å; K317-R319 PolarHBondContact O-N 3.07Å | ||
| 318 | R | 39.1 | Very low | 53.3 | Low | 238 Ų | 238 | 117.4 Ų | 117.4 | 90% | 0.898 | 63% | 0.633 | S | S | * | * | trans | -34.5 | 111.6 | 176 | -114 | -175.8 | 177 | -178.4 | -0.3 | 104 | P316 V320 | P316-R318 PolarHBondContact O-N 3.23Å; R318-V320 VanDerWaalsContact C-N 3.33Å; R318-V320 PolarHBondContact O-N 3.21Å | ||
| 319 | R | 39.1 | Very low | 55.9 | Low | 236 Ų | 236 | 114.2 Ų | 114.2 | 89% | 0.891 | 61% | 0.605 | S | S | * | * | trans | -38.3 | 107.2 | -168.2 | -80.9 | -179.4 | 178.1 | 175.3 | -1.7 | 105.4 | K317 | K317-R319 WeakPolarHBondContact O-CA 3.1Å; K317-R319 PolarHBondContact O-N 3.07Å | ||
| 320 | V | 39.5 | Very low | 58.5 | Low | 101 Ų | 101 | 113.1 Ų | 113.1 | 61% | 0.612 | 60% | 0.599 | S | S | * | * | trans | -51.6 | 123.4 | 175.6 | -179.9 | 0 | 0 | 0 | 0 | 102 | R318 T322 | R318-V320 VanDerWaalsContact C-N 3.33Å; R318-V320 PolarHBondContact O-N 3.21Å; V320-T322 PolarHBondContact O-N 3.19Å | ||
| 321 | P | 41.3 | Very low | 60.7 | Low | 113 Ų | 113 | 108.4 Ų | 108.4 | 73% | 0.734 | 57% | 0.569 | S | S | * | * | trans | -45.7 | 117.3 | -170.5 | 16.5 | -29.9 | 0 | 0 | 0 | 105.8 | Q323 | P321-Q323 PolarHBondContact O-N 2.99Š| ||
| 322 | T | 53.9 | Low | 63.2 | Low | 128 Ų | 128 | 107.9 Ų | 107.9 | 79% | 0.785 | 57% | 0.568 | S | S | * | * | trans | -39.1 | 107.9 | -169.6 | 9.3 | 0 | 0 | 0 | 0 | 105.9 | V320 V324 | V320-T322 PolarHBondContact O-N 3.19Å; T322-V324 PolarHBondContact O-N 3.31Å | ||
| 323 | Q | 59.5 | Low | 65.8 | Low | 147 Ų | 147 | 103.4 Ų | 103.4 | 69% | 0.687 | 55% | 0.549 | S | S | * | . | trans | -51.5 | 119.1 | 173.6 | -111.1 | 178.2 | -13.8 | 0 | 0 | 103.3 | P321 Q325 | P321-Q323 PolarHBondContact O-N 2.99Å; Q323-Q325 WeakPolarHBondContact O-CG 3.34Å; Q323-Q325 PolarHBondContact O-N 2.87Å | ||
| 324 | V | 76.8 | Confident | 68.5 | Low | 87 Ų | 87 | 100.5 Ų | 100.5 | 53% | 0.527 | 53% | 0.531 | S | S | . | . | trans | -56 | 120.3 | 179.4 | 178.6 | 0 | 0 | 0 | 0 | 104.5 | T322 F504 | T322-V324 PolarHBondContact O-N 3.31Å; V324-F504 HydrophobicContact CB-CD1 3.79Å; V324-F504 HydrophobicContact CB-CD2 4.23Å; V324-F504 HydrophobicContact CB-CE1 3.72Å; V324-F504 HydrophobicContact CB-CE2 4.16Å; V324-F504 HydrophobicContact CB-CG 4.06Å; V324-F504 HydrophobicContact CB-CZ 3.91Å; V324-F504 HydrophobicContact CG1-CD1 4.19Å; V324-F504 HydrophobicContact CG1-CD2 3.7Å; V324-F504 HydrophobicContact CG1-CE1 4.19Å; V324-F504 HydrophobicContact CG1-CE2 3.69Å; V324-F504 HydrophobicContact CG1-CG 3.96Å; V324-F504 HydrophobicContact CG1-CZ 3.95Å; V324-F504 HydrophobicContact CG2-CE1 4.45Å; V324-F504 HydrophobicContact CG2-CZ 4.48Å; V324-F504 WeakPolarHBondContact O-CB 3.18Å; V324-F504 WeakPolarHBondContact O-CD1 3.38Å; V324-F504 VanDerWaalsContact O-CG 3.32Å; V324-F504 WeakPolarHBondContact O-CG 3.47Å | ||
| 325 | Q | 86.1 | Confident | 71.3 | Confident | 115 Ų | 115 | 94.5 Ų | 94.5 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | trans | -118.7 | 142.5 | -179.6 | -78.1 | 175.6 | -5.3 | 0 | 0 | 107 | Q323 V507 | Q323-Q325 WeakPolarHBondContact O-CG 3.34Å; Q323-Q325 PolarHBondContact O-N 2.87Å; Q325-V507 HydrophobicContact CB-CG2 4.41Å; Q325-V507 HydrophobicContact CG-CG2 4.2Å | ||
| 326 | T | 92.3 | Very high | 73.9 | Confident | 30 Ų | 30 | 95.1 Ų | 95.1 | 18% | 0.184 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.4 | 177.9 | -56.8 | 0 | 0 | 0 | 0 | 108.3 | D330 V331 S502 P505 I506 V507 | T326-D330 HydrophobicContact CG2-CB 4.46Å; T326-V331 HydrophobicContact CG2-CG2 3.83Å; T326-S502 PolarHBondContact OG1-OG 3.12Å; T326-P505 PolarHBondContact N-O 3.38Å; T326-I506 HydrophobicContact CG2-CG1 4.4Å; T326-I506 VanDerWaalsContact O-CA 3.31Å; T326-I506 WeakPolarHBondContact O-CA 3.46Å; T326-V507 PolarHBondContact O-N 2.91Å |
| 327 | C | 93.8 | Very high | 76.7 | Confident | 12 Ų | 12 | 89.1 Ų | 89.1 | 8% | 0.081 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 140.1 | 173.2 | -172.1 | 0 | 0 | 0 | 0 | 109.3 | W329 D330 | C327-W329 PolarHBondContact O-N 3.1Å; C327-D330 VanDerWaalsContact CB-OD2 3.28Å; C327-D330 WeakPolarHBondContact CB-OD2 3.46Å; C327-D330 WeakPolarHBondContact O-CB 3.48Å; C327-D330 PolarHBondContact O-N 2.92Å |
| 328 | V | 95.4 | Very high | 79.5 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -55.5 | -35 | 178 | 77.8 | 0 | 0 | 0 | 0 | 112.6 | D330 V331 I394 S395 F449 I506 V507 F508 | V328-D330 PolarHBondContact O-N 3.16Å; V328-V331 PolarHBondContact O-N 3.1Å; V328-V331 VanDerWaalsContact O-N 3.14Å; V328-I394 HydrophobicContact CG2-CG2 3.56Å; V328-I394 WeakPolarHBondContact CG2-O 3.34Å; V328-S395 VanDerWaalsContact O-CA 3.28Å; V328-S395 WeakPolarHBondContact O-CA 3.39Å; V328-F449 HydrophobicContact CG2-CE1 4.1Å; V328-F449 HydrophobicContact CG2-CZ 3.97Å; V328-I506 HydrophobicContact CB-CG2 3.9Å; V328-I506 HydrophobicContact CG2-CG2 3.99Å; V328-V507 PolarHBondContact N-O 3.25Å; V328-F508 HydrophobicContact CG1-CD2 4.03Å; V328-F508 HydrophobicContact CG1-CE2 4.42Å |
| 329 | W | 94.8 | Very high | 82.2 | Confident | 38 Ų | 38 | 71.5 Ų | 71.5 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -67.7 | -17 | 179.3 | -65.8 | -13.6 | 0 | 0 | 0 | 114.2 | C327 V331 P509 I514 K517 H588 A592 | C327-W329 PolarHBondContact O-N 3.1Å; W329-V331 VanDerWaalsContact C-N 3.29Å; W329-P509 HydrophobicContact CD2-CB 4.41Å; W329-P509 HydrophobicContact CD2-CG 3.85Å; W329-P509 HydrophobicContact CE3-CB 4.23Å; W329-P509 HydrophobicContact CE3-CG 4.1Å; W329-P509 HydrophobicContact CH2-CG 3.99Å; W329-P509 HydrophobicContact CZ2-CG 3.7Å; W329-P509 HydrophobicContact CZ3-CB 4.26Å; W329-P509 HydrophobicContact CZ3-CG 4.14Å; W329-I514 HydrophobicContact CH2-CB 4.09Å; W329-I514 HydrophobicContact CH2-CG1 3.81Å; W329-I514 HydrophobicContact CH2-CG2 4.17Å; W329-I514 HydrophobicContact CZ2-CG1 4.3Å; W329-K517 HydrophobicContact CE3-CB 4.45Å; W329-K517 HydrophobicContact CE3-CG 4.41Å; W329-K517 HydrophobicContact CH2-CB 4.04Å; W329-K517 HydrophobicContact CH2-CG 4.12Å; W329-K517 HydrophobicContact CZ3-CB 3.55Å; W329-K517 HydrophobicContact CZ3-CG 3.78Å; W329-H588 AromaticContact CD1-CG 3.99Å; W329-H588 HydrophobicContact CZ2-CB 4.19Å; W329-H588 AromaticContact NE1-CG 3.92Å; W329-A592 HydrophobicContact CH2-CB 4.14Å |
| 330 | D | 93.7 | Very high | 84.6 | Confident | 122 Ų | 122 | 62.8 Ų | 62.8 | 65% | 0.652 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -85.5 | -3.7 | 177.1 | -58 | -35.9 | 0 | 0 | 0 | 112.2 | T326 C327 V328 | T326-D330 HydrophobicContact CG2-CB 4.46Å; C327-D330 VanDerWaalsContact CB-OD2 3.28Å; C327-D330 WeakPolarHBondContact CB-OD2 3.46Å; C327-D330 WeakPolarHBondContact O-CB 3.48Å; C327-D330 PolarHBondContact O-N 2.92Å; V328-D330 PolarHBondContact O-N 3.16Å |
| 331 | V | 94.4 | Very high | 87.2 | Confident | 12 Ų | 12 | 61.5 Ų | 61.5 | 7% | 0.073 | 34% | 0.341 | C | S | . | . | trans | -106.2 | 100.3 | -175 | -173 | 0 | 0 | 0 | 0 | 110.6 | T326 V328 W329 I394 S395 I506 | T326-V331 HydrophobicContact CG2-CG2 3.83Å; V328-V331 PolarHBondContact O-N 3.1Å; V328-V331 VanDerWaalsContact O-N 3.14Å; W329-V331 VanDerWaalsContact C-N 3.29Å; V331-I394 HydrophobicContact CB-CB 4.21Å; V331-I394 HydrophobicContact CB-CG2 3.92Å; V331-I394 HydrophobicContact CG1-CB 3.98Å; V331-I394 HydrophobicContact CG1-CD1 3.76Å; V331-I394 HydrophobicContact CG1-CG1 4.48Å; V331-I394 HydrophobicContact CG1-CG2 3.98Å; V331-S395 WeakPolarHBondContact O-CB 3.13Å; V331-S395 PolarHBondContact O-N 3.46Å; V331-I506 HydrophobicContact CG2-CD1 3.96Å; V331-I506 HydrophobicContact CG2-CG1 4.26Å; V331-I506 HydrophobicContact CG2-CG2 4.45Å | ||
| 332 | S | 93.6 | Very high | 89.7 | Confident | 104 Ų | 104 | 56.1 Ų | 56.1 | 73% | 0.727 | 31% | 0.306 | S | S | * | . | trans | -82.7 | -8.8 | -177 | 61.8 | 0 | 0 | 0 | 0 | 114.9 | S393 | S332-S393 VanDerWaalsContact C-OG 3.27Å; S332-S393 WeakPolarHBondContact CA-OG 3.37Å; S332-S393 PolarHBondContact O-OG 3.18Å | ||
| 333 | S | 95.1 | Very high | 91.6 | Very high | 58 Ų | 58 | 50.5 Ų | 50.5 | 41% | 0.406 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -61.6 | 147.8 | -178.5 | -58 | 0 | 0 | 0 | 0 | 112.8 | I394 | S333-I394 WeakPolarHBondContact O-CG1 3.31Å; S333-I394 PolarHBondContact O-N 3.45Å |
| 334 | S | 95.8 | Very high | 93.1 | Very high | 55 Ų | 55 | 47.3 Ų | 47.3 | 39% | 0.385 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 141.3 | 171.4 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | I392 | S334-I392 WeakPolarHBondContact CA-O 3.49Å |
| 335 | F | 97.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 132.2 | 173.2 | -178 | -96.5 | 0 | 0 | 0 | 110.6 | I337 L359 F390 I392 I394 L397 V448 L455 F498 | F335-I337 HydrophobicContact CE1-CD1 4.18Å; F335-I337 HydrophobicContact CE1-CG1 3.61Å; F335-I337 HydrophobicContact CE2-CD1 4.47Å; F335-I337 HydrophobicContact CZ-CD1 3.7Å; F335-I337 HydrophobicContact CZ-CG1 3.68Å; F335-L359 HydrophobicContact CD1-CD1 3.72Å; F335-L359 HydrophobicContact CD1-CD2 4.29Å; F335-L359 HydrophobicContact CE1-CD1 4.12Å; F335-L359 HydrophobicContact CE1-CD2 3.83Å; F335-L359 HydrophobicContact CE1-CG 4.47Å; F335-L359 HydrophobicContact CG-CD1 4.48Å; F335-L359 HydrophobicContact CZ-CD2 4.49Å; F335-F390 HydrophobicContact CD1-CB 4.33Å; F335-F390 AromaticContact CD1-CD2 3.57Å; F335-F390 HydrophobicContact CD1-CD2 3.57Å; F335-F390 HydrophobicContact CD1-CE2 4.12Å; F335-F390 HydrophobicContact CD1-CG 4.1Å; F335-F390 AromaticContact CE1-CD2 3.98Å; F335-F390 HydrophobicContact CE1-CD2 3.98Å; F335-F390 HydrophobicContact CE1-CE2 4.05Å; F335-F390 WeakPolarHBondContact O-CB 3.36Å; F335-F390 PolarHBondContact O-N 3.05Å; F335-I392 HydrophobicContact CB-CG2 4.17Å; F335-I392 PolarHBondContact N-O 3.17Å; F335-I394 HydrophobicContact CB-CG1 4.19Å; F335-I394 HydrophobicContact CD2-CG1 4.35Å; F335-L397 HydrophobicContact CB-CD1 4.25Å; F335-L397 HydrophobicContact CD2-CD1 3.63Å; F335-L397 HydrophobicContact CE2-CD1 4.24Å; F335-L397 HydrophobicContact CG-CD1 4.09Å; F335-V448 HydrophobicContact CE2-CG1 3.75Å; F335-V448 HydrophobicContact CZ-CG1 4.06Å; F335-V448 HydrophobicContact CZ-CG2 4.07Å; F335-L455 HydrophobicContact CE2-CD1 4.46Å; F335-F498 HydrophobicContact CZ-CE1 4.23Å |
| 336 | R | 96.1 | Very high | 93.8 | Very high | 115 Ų | 115 | 44 Ų | 44 | 43% | 0.434 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 153.2 | 175.7 | 55.6 | 166.6 | -170.2 | -170.3 | 3 | 111.8 | L388 E389 P499 Y501 | R336-L388 CarbonylContact C-O 3.53Å; R336-L388 WeakPolarHBondContact CA-O 3.32Å; R336-E389 HydrophobicContact CB-CB 4.47Å; R336-P499 HydrophobicContact CG-CG 4.13Å; R336-P499 WeakPolarHBondContact O-CD 3.42Å; R336-Y501 HydrophobicContact CG-CE1 4.26Å; R336-Y501 WeakPolarHBondContact CG-OH 3.25Å; R336-Y501 PolarHBondContact N-OH 2.92Å; R336-Y501 PolarHBondContact O-OH 3.26Å |
| 337 | I | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 138.8 | 174.8 | -69.2 | -69.9 | 0 | 0 | 0 | 109.8 | F335 A387 L388 F390 L403 F405 I496 F498 | F335-I337 HydrophobicContact CE1-CD1 4.18Å; F335-I337 HydrophobicContact CE1-CG1 3.61Å; F335-I337 HydrophobicContact CE2-CD1 4.47Å; F335-I337 HydrophobicContact CZ-CD1 3.7Å; F335-I337 HydrophobicContact CZ-CG1 3.68Å; I337-A387 CarbonylContact O-C 3.49Å; I337-L388 PolarHBondContact N-O 2.87Å; I337-L388 PolarHBondContact O-N 3.47Å; I337-F390 HydrophobicContact CB-CE2 4.44Å; I337-F390 HydrophobicContact CG1-CE2 4.37Å; I337-L403 HydrophobicContact CD1-CD2 4.02Å; I337-L403 HydrophobicContact CG1-CD2 3.76Å; I337-F405 HydrophobicContact CG2-CZ 4.21Å; I337-I496 HydrophobicContact CG2-CB 4.15Å; I337-I496 HydrophobicContact CG2-CG2 4.45Å; I337-F498 HydrophobicContact CD1-CB 4.44Å; I337-F498 HydrophobicContact CD1-CD1 3.38Å; I337-F498 HydrophobicContact CD1-CD2 4.08Å; I337-F498 HydrophobicContact CD1-CE1 3.47Å; I337-F498 VanDerWaalsContact CD1-CE1 3.47Å; I337-F498 HydrophobicContact CD1-CE2 4.14Å; I337-F498 HydrophobicContact CD1-CG 3.7Å; I337-F498 HydrophobicContact CD1-CZ 3.85Å |
| 338 | V | 95.5 | Very high | 92.7 | Very high | 26 Ų | 26 | 48.8 Ų | 48.8 | 16% | 0.158 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 116.7 | 177.6 | 170.7 | 0 | 0 | 0 | 0 | 109.7 | V340 N386 I496 H497 P499 | V338-V340 HydrophobicContact CG1-CG2 4.32Å; V338-V340 PolarHBondContact O-N 3.33Å; V338-N386 CarbonylContact C-O 3.6Å; V338-N386 WeakPolarHBondContact CA-O 3.42Å; V338-N386 HydrophobicContact CG1-CB 4.06Å; V338-N386 VanDerWaalsContact CG1-CG 3.5Å; V338-N386 VanDerWaalsContact CG1-ND2 3.35Å; V338-N386 WeakPolarHBondContact CG1-ND2 3.39Å; V338-I496 CarbonylContact O-C 3.59Å; V338-I496 VanDerWaalsContact O-CA 3.31Å; V338-I496 WeakPolarHBondContact O-CA 3.43Å; V338-H497 HydrophobicContact CB-CB 3.95Å; V338-H497 HydrophobicContact CG1-CB 4.21Å; V338-H497 PolarHBondContact N-O 3.32Å; V338-H497 PolarHBondContact O-N 3.18Å; V338-P499 HydrophobicContact CG2-CG 4.19Å |
| 339 | L | 94.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 102.5 | 177 | 177.5 | 61.5 | 0 | 0 | 0 | 110.7 | V355 W383 N386 L388 L494 I496 | L339-V355 HydrophobicContact CD2-CB 3.86Å; L339-V355 HydrophobicContact CD2-CG1 4.31Å; L339-V355 HydrophobicContact CD2-CG2 3.95Å; L339-W383 HydrophobicContact CD1-CE3 4.05Å; L339-W383 HydrophobicContact CD1-CZ3 3.95Å; L339-W383 HydrophobicContact CD2-CB 4.43Å; L339-W383 HydrophobicContact CD2-CD2 3.41Å; L339-W383 VanDerWaalsContact CD2-CD2 3.41Å; L339-W383 HydrophobicContact CD2-CE3 3.57Å; L339-W383 HydrophobicContact CD2-CG 3.77Å; L339-W383 HydrophobicContact CD2-CH2 4.32Å; L339-W383 HydrophobicContact CD2-CZ2 4.23Å; L339-W383 HydrophobicContact CD2-CZ3 3.97Å; L339-W383 HydrophobicContact CG-CD2 3.84Å; L339-W383 HydrophobicContact CG-CE3 3.49Å; L339-W383 VanDerWaalsContact CG-CE3 3.49Å; L339-W383 HydrophobicContact CG-CG 4.28Å; L339-W383 HydrophobicContact CG-CZ3 3.91Å; L339-N386 PolarHBondContact N-O 3.19Å; L339-N386 WeakPolarHBondContact O-CB 3.49Å; L339-L388 HydrophobicContact CB-CD1 4.42Å; L339-L494 HydrophobicContact CD1-CD1 3.53Å; L339-L494 HydrophobicContact CD1-CD2 4.24Å; L339-L494 HydrophobicContact CD1-CG 3.89Å; L339-I496 HydrophobicContact CD1-CG2 4.27Å |
| 340 | V | 91.4 | Very high | 91.1 | Very high | 54 Ų | 54 | 57.4 Ų | 57.4 | 33% | 0.327 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -62.4 | -171.4 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | V338 H495 H497 | V338-V340 HydrophobicContact CG1-CG2 4.32Å; V338-V340 PolarHBondContact O-N 3.33Å; V340-H495 HydrophobicContact CB-CB 4Å; V340-H495 WeakPolarHBondContact CB-O 3.49Å; V340-H495 PolarHBondContact N-O 3.47Å; V340-H497 HydrophobicContact CG2-CB 4.05Å |
| 341 | K | 92.8 | Very high | 90.6 | Very high | 73 Ų | 73 | 51.7 Ų | 51.7 | 32% | 0.317 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 160.4 | -178.4 | 66.9 | 171.1 | -173.8 | 171.4 | 0 | 112.5 | H381 H495 | K341-H381 CarbonylContact C-O 3.53Å; K341-H381 VanDerWaalsContact CA-O 3.25Å; K341-H381 WeakPolarHBondContact CA-O 3.49Å; K341-H381 WeakPolarHBondContact CB-O 3.4Å; K341-H495 WeakPolarHBondContact CE-CE1 3.43Å; K341-H495 WeakPolarHBondContact CE-ND1 3.12Å; K341-H495 WeakPolarHBondContact CE-NE2 3.37Å; K341-H495 HydrophobicContact CG-CB 3.68Å; K341-H495 PolarHBondContact N-O 2.85Å; K341-H495 WeakPolarHBondContact O-CB 3.28Å; K341-H495 PolarHBondContact O-N 3.35Å |
| 342 | G | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | E380 H381 W383 A493 | G342-E380 CarbonylContact O-C 3.57Å; G342-E380 WeakPolarHBondContact O-CA 3.43Å; G342-H381 PolarHBondContact N-O 3.36Å; G342-H381 PolarHBondContact O-N 3.08Å; G342-W383 VanDerWaalsContact N-CZ3 3.3Å; G342-A493 WeakPolarHBondContact CA-O 3.28Å |
| 343 | S | 93.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 50 Ų | 50 | 8% | 0.077 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 151.6 | -178.1 | 60 | 0 | 0 | 0 | 0 | 110.9 | V345 S379 E380 A493 | S343-V345 PolarHBondContact O-N 3.5Å; S343-S379 CarbonylContact C-O 3.53Å; S343-E380 VanDerWaalsContact CA-OE1 3.25Å; S343-E380 WeakPolarHBondContact CA-OE1 3.33Å; S343-E380 WeakPolarHBondContact CB-OE1 3.33Å; S343-E380 VanDerWaalsContact CB-OE2 3.25Å; S343-E380 WeakPolarHBondContact CB-OE2 3Å; S343-A493 PolarHBondContact N-O 3.32Å; S343-A493 PolarHBondContact O-N 3.34Å |
| 344 | K | 92.4 | Very high | 90.2 | Very high | 80 Ų | 80 | 48.2 Ų | 48.2 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 54.4 | 38.5 | -178.7 | -49.4 | 173.7 | -167.1 | 175 | 0 | 112.6 | S379 E380 T488 E489 T492 | K344-S379 PolarHBondContact N-O 3.4Å; K344-E380 PolarHBondContact N-OE1 3.49Å; K344-T488 PolarHBondContact NZ-O 3.43Å; K344-E489 WeakPolarHBondContact CE-O 3.48Å; K344-E489 VanDerWaalsContact NZ-C 3.34Å; K344-E489 PolarHBondContact NZ-O 3.46Å; K344-T492 WeakPolarHBondContact O-CA 3.44Å; K344-T492 WeakPolarHBondContact O-CB 3.21Å; K344-T492 PolarHBondContact O-OG1 3.48Å |
| 345 | V | 89.6 | Confident | 90 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | trans | -79.2 | 121.5 | 175.4 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | S343 A347 V353 S379 I407 I441 T492 | S343-V345 PolarHBondContact O-N 3.5Å; V345-A347 HydrophobicContact CG1-CB 4.4Å; V345-A347 PolarHBondContact O-N 3.5Å; V345-V353 HydrophobicContact CG1-CG1 4.27Å; V345-V353 HydrophobicContact CG1-CG2 4.12Å; V345-S379 PolarHBondContact N-O 3.01Å; V345-I407 HydrophobicContact CG1-CG2 4.19Å; V345-I441 HydrophobicContact CG1-CD1 3.78Å; V345-I441 HydrophobicContact CG1-CG2 4.31Å; V345-T492 HydrophobicContact CB-CG2 4.42Å; V345-T492 HydrophobicContact CG2-CG2 3.79Å | ||
| 346 | N | 86.6 | Confident | 89.8 | Confident | 130 Ų | 130 | 46.4 Ų | 46.4 | 70% | 0.695 | 23% | 0.232 | S | C | * | . | trans | -92.1 | 85.6 | 178.9 | -66.6 | -33 | 0 | 0 | 0 | 110.1 | ||||
| 347 | A | 83.4 | Confident | 89.7 | Confident | 24 Ų | 24 | 40.9 Ų | 40.9 | 20% | 0.198 | 21% | 0.211 | C | C | . | . | trans | -119.3 | 156.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V345 V353 A409 I441 | V345-A347 HydrophobicContact CG1-CB 4.4Å; V345-A347 PolarHBondContact O-N 3.5Å; A347-V353 HydrophobicContact CB-CG2 3.87Å; A347-A409 HydrophobicContact CB-CB 4.39Å; A347-I441 HydrophobicContact CB-CD1 3.87Å | ||
| 348 | E | 79.8 | Confident | 89.7 | Confident | 120 Ų | 120 | 40.9 Ų | 40.9 | 56% | 0.561 | 21% | 0.211 | S | C | * | . | trans | -65.3 | 143.4 | 171.3 | -164.7 | -177.6 | 152.2 | 0 | 0 | 110.1 | S350 A351 | E348-S350 PolarHBondContact O-N 3.03Å; E348-S350 VanDerWaalsContact O-N 3.12Å; E348-S350 PolarHBondContact OE1-OG 2.97Å; E348-S350 VanDerWaalsContact OE1-OG 3.08Å; E348-A351 HydrophobicContact CB-CB 4.25Å; E348-A351 WeakPolarHBondContact O-CB 3.2Å; E348-A351 PolarHBondContact O-N 3.35Å | ||
| 349 | E | 74.9 | Confident | 89.8 | Confident | 132 Ų | 132 | 39.7 Ų | 39.7 | 62% | 0.617 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -27 | -175.7 | -174.7 | 168.6 | -150.3 | 0 | 0 | 113.6 | R378 | E349-R378 HydrophobicContact CG-CG 4.49Å; E349-R378 IonicContact OE1-CZ 2.74Å; E349-R378 IonicContact OE1-NE 3.48Å; E349-R378 PolarHBondContact OE1-NE 3.43Å; E349-R378 IonicContact OE1-NH2 2.71Å; E349-R378 PolarHBondContact OE1-NH2 3.07Å; E349-R378 IonicContact OE2-NH2 2.82Å |
| 350 | S | 80.9 | Confident | 89.8 | Confident | 86 Ų | 86 | 39.8 Ų | 39.8 | 60% | 0.601 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -14.8 | 176.1 | 65.5 | 0 | 0 | 0 | 0 | 113.4 | E348 | E348-S350 PolarHBondContact O-N 3.03Å; E348-S350 VanDerWaalsContact O-N 3.12Å; E348-S350 PolarHBondContact OE1-OG 2.97Å; E348-S350 VanDerWaalsContact OE1-OG 3.08Å |
| 351 | A | 85 | Confident | 90 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | trans | -84.9 | 142.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E348 A409 M411 | E348-A351 HydrophobicContact CB-CB 4.25Å; E348-A351 WeakPolarHBondContact O-CB 3.2Å; E348-A351 PolarHBondContact O-N 3.35Å; A351-A409 HydrophobicContact CB-CB 3.98Å; A351-M411 HydrophobicContact CB-CG 3.68Å; A351-M411 HydrophobicContact CB-SD 4.21Å | ||
| 352 | K | 90.6 | Very high | 89.9 | Confident | 80 Ų | 80 | 34.2 Ų | 34.2 | 35% | 0.348 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 152.4 | 166.5 | -66.6 | 177.2 | 172.9 | 179.1 | 0 | 109.7 | E374 T375 A409 V410 | K352-E374 HydrophobicContact CB-CB 4.22Å; K352-E374 HydrophobicContact CD-CB 3.98Å; K352-E374 HydrophobicContact CD-CG 4.44Å; K352-E374 WeakPolarHBondContact CD-OE2 3.27Å; K352-E374 IonicContact NZ-OE2 3.18Å; K352-E374 PolarHBondContact NZ-OE2 2.84Å; K352-T375 CarbonylContact C-O 3.59Å; K352-T375 VanDerWaalsContact CA-O 3.32Å; K352-T375 WeakPolarHBondContact CA-O 3.34Å; K352-A409 CarbonylContact O-C 3.5Å; K352-A409 WeakPolarHBondContact O-CA 3.37Å; K352-V410 HydrophobicContact CB-CB 4.38Å; K352-V410 PolarHBondContact N-O 2.8Å; K352-V410 PolarHBondContact O-N 3Å |
| 353 | V | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.1 | 177.9 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | V345 A347 T375 H381 W383 I407 Y408 | V345-V353 HydrophobicContact CG1-CG1 4.27Å; V345-V353 HydrophobicContact CG1-CG2 4.12Å; A347-V353 HydrophobicContact CB-CG2 3.87Å; V353-T375 PolarHBondContact N-O 3.4Å; V353-T375 PolarHBondContact O-N 3.06Å; V353-T375 PolarHBondContact O-OG1 3.17Å; V353-H381 WeakPolarHBondContact CG2-CE1 3.34Å; V353-W383 HydrophobicContact CG1-CZ2 4.42Å; V353-I407 HydrophobicContact CG1-CG2 3.69Å; V353-Y408 WeakPolarHBondContact CA-O 3.46Å |
| 354 | Q | 91 | Very high | 89.5 | Confident | 21 Ų | 21 | 38.7 Ų | 38.7 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 142.4 | 178.6 | 175.8 | 170.9 | 75.7 | 0 | 0 | 109.8 | V371 S372 Y408 V410 | Q354-V371 HydrophobicContact CG-CG1 3.51Å; Q354-S372 PolarHBondContact NE2-O 3.45Å; Q354-S372 VanDerWaalsContact NE2-O 3.11Å; Q354-Y408 PolarHBondContact N-O 2.99Å; Q354-Y408 PolarHBondContact O-N 3.24Å; Q354-V410 HydrophobicContact CB-CG2 3.89Å |
| 355 | V | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 135.4 | 173.5 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | L339 S372 W383 F405 A406 I407 L494 | L339-V355 HydrophobicContact CD2-CB 3.86Å; L339-V355 HydrophobicContact CD2-CG1 4.31Å; L339-V355 HydrophobicContact CD2-CG2 3.95Å; V355-S372 PolarHBondContact N-OG 3.08Å; V355-S372 PolarHBondContact O-N 3.11Å; V355-S372 PolarHBondContact O-OG 3.21Å; V355-W383 HydrophobicContact CG2-CH2 3.58Å; V355-W383 HydrophobicContact CG2-CZ2 3.47Å; V355-W383 VanDerWaalsContact CG2-CZ2 3.47Å; V355-W383 HydrophobicContact CG2-CZ3 4.41Å; V355-F405 HydrophobicContact CG1-CD1 3.85Å; V355-A406 WeakPolarHBondContact CA-O 3.45Å; V355-I407 HydrophobicContact CG2-CG1 4.37Å; V355-L494 HydrophobicContact CG1-CD2 4.3Å; V355-L494 HydrophobicContact CG2-CD1 4.06Å |
| 356 | R | 92.7 | Very high | 89.8 | Confident | 18 Ų | 18 | 38.6 Ų | 38.6 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 140.3 | 170.6 | -62.5 | -171.7 | 175.8 | 164.9 | -5.3 | 108.8 | V371 F405 A406 Y408 H438 M475 L476 | R356-V371 HydrophobicContact CG-CG1 4.16Å; R356-V371 HydrophobicContact CG-CG2 4.09Å; R356-F405 CarbonylContact O-C 2.99Å; R356-F405 VanDerWaalsContact O-CA 3.28Å; R356-F405 WeakPolarHBondContact O-CA 3.45Å; R356-A406 PolarHBondContact N-O 3.3Å; R356-A406 PolarHBondContact O-N 3.15Å; R356-Y408 HydrophobicContact CG-CD2 4.13Å; R356-Y408 HydrophobicContact CG-CE2 4.35Å; R356-H438 PolarHBondContact NH2-CE1 2.89Å; R356-H438 PolarHBondContact NH2-ND1 2.95Å; R356-M475 PolarHBondContact NH1-SD 3.32Å; R356-L476 HydrophobicContact CB-CD2 4.38Å |
| 357 | A | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | P369 V370 L388 F390 C404 F405 | A357-P369 CarbonylContact O-C 3.57Å; A357-P369 WeakPolarHBondContact O-CA 3.43Å; A357-P369 WeakPolarHBondContact O-CB 3.47Å; A357-V370 PolarHBondContact N-O 3.37Å; A357-V370 PolarHBondContact O-N 2.94Å; A357-L388 HydrophobicContact CB-CD1 3.83Å; A357-F390 HydrophobicContact CB-CE1 4.26Å; A357-F390 HydrophobicContact CB-CZ 3.77Å; A357-C404 CarbonylContact C-O 3.56Å; A357-C404 VanDerWaalsContact CA-O 3.26Å; A357-C404 WeakPolarHBondContact CA-O 3.39Å; A357-F405 HydrophobicContact CB-CD1 3.64Å; A357-F405 HydrophobicContact CB-CE1 3.57Å |
| 358 | G | 95.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 151.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | C404 | G358-C404 PolarHBondContact N-O 2.87Å; G358-C404 PolarHBondContact O-N 3.33Å |
| 359 | L | 97.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124.6 | 174.4 | -69.1 | 173.1 | 0 | 0 | 0 | 109.3 | F335 L366 F390 I392 L397 T401 R402 L403 V448 | F335-L359 HydrophobicContact CD1-CD1 3.72Å; F335-L359 HydrophobicContact CD1-CD2 4.29Å; F335-L359 HydrophobicContact CE1-CD1 4.12Å; F335-L359 HydrophobicContact CE1-CD2 3.83Å; F335-L359 HydrophobicContact CE1-CG 4.47Å; F335-L359 HydrophobicContact CG-CD1 4.48Å; F335-L359 HydrophobicContact CZ-CD2 4.49Å; L359-L366 HydrophobicContact CB-CB 4.26Å; L359-L366 HydrophobicContact CB-CD1 4.29Å; L359-L366 PolarHBondContact O-N 3.49Å; L359-F390 HydrophobicContact CD1-CB 3.86Å; L359-F390 HydrophobicContact CD1-CD1 3.69Å; L359-F390 HydrophobicContact CD1-CD2 4.37Å; L359-F390 HydrophobicContact CD1-CE1 4.31Å; L359-F390 HydrophobicContact CD1-CG 3.71Å; L359-F390 HydrophobicContact CG-CD1 3.74Å; L359-F390 HydrophobicContact CG-CE1 3.89Å; L359-F390 HydrophobicContact CG-CG 4.21Å; L359-F390 HydrophobicContact CG-CZ 4.47Å; L359-I392 HydrophobicContact CD1-CG2 3.59Å; L359-L397 HydrophobicContact CD1-CD2 4.21Å; L359-T401 HydrophobicContact CB-CG2 4.36Å; L359-T401 HydrophobicContact CD2-CG2 3.86Å; L359-R402 WeakPolarHBondContact CA-O 3.33Å; L359-L403 HydrophobicContact CD2-CB 4.16Å; L359-L403 HydrophobicContact CD2-CD1 3.76Å; L359-L403 HydrophobicContact CG-CD1 4.49Å; L359-V448 HydrophobicContact CD2-CG2 3.99Å |
| 360 | F | 96.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 146.8 | -175.8 | -67.7 | -95.7 | 0 | 0 | 0 | 111.6 | E364 L365 R402 C404 L476 P478 | F360-E364 CarbonylContact C-O 3.49Å; F360-E364 VanDerWaalsContact CA-O 3.24Å; F360-E364 WeakPolarHBondContact CA-O 3.47Å; F360-L365 HydrophobicContact CD1-CB 4.28Å; F360-L365 HydrophobicContact CD1-CD1 4.23Å; F360-L365 HydrophobicContact CD2-CD1 4.38Å; F360-L365 HydrophobicContact CE1-CB 4Å; F360-L365 HydrophobicContact CE1-CD1 3.75Å; F360-L365 HydrophobicContact CE1-CG 4.48Å; F360-L365 HydrophobicContact CE2-CD1 3.91Å; F360-L365 HydrophobicContact CZ-CD1 3.58Å; F360-R402 PolarHBondContact N-O 3.32Å; F360-R402 PolarHBondContact O-N 2.97Å; F360-C404 HydrophobicContact CD2-CB 3.91Å; F360-C404 HydrophobicContact CE2-CB 3.96Å; F360-L476 HydrophobicContact CE2-CB 4.25Å; F360-L476 HydrophobicContact CE2-CD1 3.73Å; F360-L476 HydrophobicContact CZ-CB 4.24Å; F360-L476 HydrophobicContact CZ-CD1 4.03Å; F360-P478 HydrophobicContact CB-CB 4.2Å; F360-P478 HydrophobicContact CD1-CB 3.73Å; F360-P478 HydrophobicContact CD1-CG 4.1Å; F360-P478 HydrophobicContact CD2-CB 4.14Å; F360-P478 HydrophobicContact CE1-CB 4.06Å; F360-P478 HydrophobicContact CE1-CG 4Å; F360-P478 HydrophobicContact CE2-CB 4.45Å; F360-P478 HydrophobicContact CG-CB 3.76Å; F360-P478 HydrophobicContact CZ-CB 4.4Å; F360-P478 HydrophobicContact CZ-CG 4.41Å |
| 361 | H | 95.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 95.5 | 160.9 | -173.3 | 88.3 | 0 | 0 | 0 | 107.5 | T363 E364 L366 P398 W585 P618 | H361-T363 PolarHBondContact O-N 3.44Å; H361-E364 PolarHBondContact N-O 2.85Å; H361-E364 PolarHBondContact O-N 3.25Å; H361-E364 VanDerWaalsContact O-N 3.14Å; H361-L366 HydrophobicContact CB-CD1 4.37Å; H361-L366 HydrophobicContact CB-CD2 3.86Å; H361-L366 HydrophobicContact CB-CG 4.25Å; H361-P398 HydrophobicContact CB-CG 4.43Å; H361-P398 WeakPolarHBondContact ND1-CB 3.45Å; H361-W585 HydrophobicContact CB-CB 4.39Å; H361-W585 AromaticContact CD2-CD1 3.96Å; H361-W585 AromaticContact CD2-CD2 3.54Å; H361-W585 AromaticContact CD2-CE2 3.78Å; H361-W585 AromaticContact CD2-CE3 3.99Å; H361-W585 AromaticContact CD2-CG 3.67Å; H361-W585 AromaticContact CE1-CD2 3.97Å; H361-W585 AromaticContact CE1-CE3 3.6Å; H361-W585 AromaticContact CE1-CZ3 3.81Å; H361-W585 AromaticContact NE2-CD2 3.41Å; H361-W585 AromaticContact NE2-CE2 3.58Å; H361-W585 AromaticContact NE2-CE3 3.45Å; H361-W585 AromaticContact NE2-CH2 3.81Å; H361-W585 AromaticContact NE2-CZ2 3.79Å; H361-W585 AromaticContact NE2-CZ3 3.65Å; H361-P618 VanDerWaalsContact CD2-CG 3.49Å; H361-P618 WeakPolarHBondContact CD2-CG 3.37Å; H361-P618 VanDerWaalsContact NE2-CG 3.33Å; H361-P618 WeakPolarHBondContact NE2-CG 3.44Å |
| 362 | G | 90.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 6% | 0.062 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | -118.1 | -172 | 0 | 0 | 0 | 0 | 0 | 108.9 | F615 | G362-F615 VanDerWaalsContact CA-O 3.29Å; G362-F615 WeakPolarHBondContact CA-O 3.38Å |
| 363 | T | 87.3 | Confident | 93.1 | Very high | 47 Ų | 47 | 29.7 Ų | 29.7 | 29% | 0.288 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -13.8 | 172.4 | 46.9 | 0 | 0 | 0 | 0 | 113.3 | H361 L365 I479 F615 N616 | H361-T363 PolarHBondContact O-N 3.44Å; T363-L365 PolarHBondContact O-N 3.25Å; T363-I479 HydrophobicContact CG2-CD1 4.37Å; T363-I479 HydrophobicContact CG2-CG1 4.21Å; T363-F615 HydrophobicContact CG2-CD2 3.37Å; T363-F615 HydrophobicContact CG2-CE2 3.56Å; T363-N616 PolarHBondContact OG1-OD1 3.32Å |
| 364 | E | 90.9 | Very high | 93 | Very high | 58 Ų | 58 | 32.6 Ų | 32.6 | 27% | 0.271 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 126.1 | -179.6 | -172.5 | -177.4 | 159.6 | 0 | 0 | 110.8 | F360 H361 W585 | F360-E364 CarbonylContact C-O 3.49Å; F360-E364 VanDerWaalsContact CA-O 3.24Å; F360-E364 WeakPolarHBondContact CA-O 3.47Å; H361-E364 PolarHBondContact N-O 2.85Å; H361-E364 PolarHBondContact O-N 3.25Å; H361-E364 VanDerWaalsContact O-N 3.14Å; E364-W585 VanDerWaalsContact OE2-CD1 3.24Å |
| 365 | L | 93.4 | Very high | 92.9 | Very high | 67 Ų | 67 | 32.3 Ų | 32.3 | 35% | 0.351 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 118.7 | 172.6 | -178.7 | 73.4 | 0 | 0 | 0 | 110 | F360 T363 C367 P369 | F360-L365 HydrophobicContact CD1-CB 4.28Å; F360-L365 HydrophobicContact CD1-CD1 4.23Å; F360-L365 HydrophobicContact CD2-CD1 4.38Å; F360-L365 HydrophobicContact CE1-CB 4Å; F360-L365 HydrophobicContact CE1-CD1 3.75Å; F360-L365 HydrophobicContact CE1-CG 4.48Å; F360-L365 HydrophobicContact CE2-CD1 3.91Å; F360-L365 HydrophobicContact CZ-CD1 3.58Å; T363-L365 PolarHBondContact O-N 3.25Å; L365-C367 VanDerWaalsContact CD1-O 3.28Å; L365-C367 WeakPolarHBondContact CD1-O 3.4Å; L365-C367 WeakPolarHBondContact CD2-O 3.27Å; L365-C367 WeakPolarHBondContact CG-O 3.17Å; L365-P369 HydrophobicContact CD1-CG 4.14Å; L365-P369 HydrophobicContact CD2-CG 3.92Å |
| 366 | L | 95.8 | Very high | 92.6 | Very high | 13 Ų | 13 | 37 Ų | 37 | 7% | 0.068 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -75.3 | -31 | -174.6 | -65.5 | 175.1 | 0 | 0 | 0 | 113.7 | L359 H361 I392 P398 T401 W585 | L359-L366 HydrophobicContact CB-CB 4.26Å; L359-L366 HydrophobicContact CB-CD1 4.29Å; L359-L366 PolarHBondContact O-N 3.49Å; H361-L366 HydrophobicContact CB-CD1 4.37Å; H361-L366 HydrophobicContact CB-CD2 3.86Å; H361-L366 HydrophobicContact CB-CG 4.25Å; L366-I392 HydrophobicContact CB-CD1 4.04Å; L366-P398 HydrophobicContact CD1-CG 4.21Å; L366-P398 HydrophobicContact CD2-CG 4.15Å; L366-T401 HydrophobicContact CD1-CG2 3.76Å; L366-W585 HydrophobicContact CD2-CB 3.98Å |
| 367 | C | 94.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 10% | 0.101 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -156.3 | 167.8 | 177.1 | 67.7 | 0 | 0 | 0 | 0 | 110.1 | L365 E391 I392 | L365-C367 VanDerWaalsContact CD1-O 3.28Å; L365-C367 WeakPolarHBondContact CD1-O 3.4Å; L365-C367 WeakPolarHBondContact CD2-O 3.27Å; L365-C367 WeakPolarHBondContact CG-O 3.17Å; C367-E391 HydrophobicContact CB-CB 4.47Å; C367-I392 HydrophobicContact CB-CB 4.34Å |
| 368 | K | 93.1 | Very high | 90.9 | Very high | 140 Ų | 140 | 45.7 Ų | 45.7 | 61% | 0.609 | 25% | 0.25 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 140.5 | -179.3 | -68.4 | 175.3 | -170.4 | 150.4 | 0 | 111.8 | E391 | K368-E391 IonicContact NZ-OE2 3.45Š|
| 369 | P | 92.8 | Very high | 90.4 | Very high | 65 Ų | 65 | 48.4 Ų | 48.4 | 42% | 0.422 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 142 | 178.9 | -16.1 | 32.8 | 0 | 0 | 0 | 110.7 | A357 L365 L476 | A357-P369 CarbonylContact O-C 3.57Å; A357-P369 WeakPolarHBondContact O-CA 3.43Å; A357-P369 WeakPolarHBondContact O-CB 3.47Å; L365-P369 HydrophobicContact CD1-CG 4.14Å; L365-P369 HydrophobicContact CD2-CG 3.92Å; P369-L476 HydrophobicContact CB-CD1 4.37Å |
| 370 | V | 93.7 | Very high | 90.1 | Very high | 29 Ų | 29 | 52.8 Ų | 52.8 | 18% | 0.176 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 144.9 | -179.4 | -169.6 | 0 | 0 | 0 | 0 | 109.2 | A357 L388 E389 F390 | A357-V370 PolarHBondContact N-O 3.37Å; A357-V370 PolarHBondContact O-N 2.94Å; V370-L388 HydrophobicContact CB-CB 4.45Å; V370-L388 HydrophobicContact CG1-CB 4Å; V370-L388 HydrophobicContact CG1-CD2 3.96Å; V370-E389 WeakPolarHBondContact CG2-O 3.35Å; V370-F390 HydrophobicContact CB-CE1 4.31Å; V370-F390 HydrophobicContact CG2-CD1 3.61Å; V370-F390 HydrophobicContact CG2-CD2 4.47Å; V370-F390 HydrophobicContact CG2-CE1 3.76Å; V370-F390 HydrophobicContact CG2-CG 4Å; V370-F390 HydrophobicContact CG2-CZ 4.27Å |
| 371 | V | 91.5 | Very high | 89.8 | Confident | 68 Ų | 68 | 52.8 Ų | 52.8 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130 | -174.6 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | Q354 R356 | Q354-V371 HydrophobicContact CG-CG1 3.51Å; R356-V371 HydrophobicContact CG-CG1 4.16Å; R356-V371 HydrophobicContact CG-CG2 4.09Å |
| 372 | S | 92.5 | Very high | 89.5 | Confident | 8 Ų | 8 | 57.3 Ų | 57.3 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 163.8 | 178.5 | 81.4 | 0 | 0 | 0 | 0 | 112.3 | Q354 V355 W383 | Q354-S372 PolarHBondContact NE2-O 3.45Å; Q354-S372 VanDerWaalsContact NE2-O 3.11Å; V355-S372 PolarHBondContact N-OG 3.08Å; V355-S372 PolarHBondContact O-N 3.11Å; V355-S372 PolarHBondContact O-OG 3.21Å; S372-W383 PolarHBondContact OG-NE1 3.13Å; S372-W383 VanDerWaalsContact OG-NE1 3.12Å |
| 373 | S | 90.6 | Very high | 89.3 | Confident | 61 Ų | 61 | 57.4 Ų | 57.4 | 43% | 0.427 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 152.7 | 163.1 | 68.1 | 0 | 0 | 0 | 0 | 111.3 | W383 | S373-W383 VanDerWaalsContact O-CD1 3.32Å; S373-W383 PolarHBondContact O-NE1 3.1Å |
| 374 | E | 89.8 | Confident | 88.2 | Confident | 62 Ų | 62 | 67 Ų | 67 | 29% | 0.29 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 137.8 | 173.1 | -62.5 | 176.4 | 173.5 | 0 | 0 | 110.3 | K352 K436 | K352-E374 HydrophobicContact CB-CB 4.22Å; K352-E374 HydrophobicContact CD-CB 3.98Å; K352-E374 HydrophobicContact CD-CG 4.44Å; K352-E374 WeakPolarHBondContact CD-OE2 3.27Å; K352-E374 IonicContact NZ-OE2 3.18Å; K352-E374 PolarHBondContact NZ-OE2 2.84Å; E374-K436 VanDerWaalsContact CD-NZ 3.34Å; E374-K436 IonicContact OE1-NZ 3.62Å; E374-K436 PolarHBondContact OE1-NZ 3.42Å; E374-K436 IonicContact OE2-NZ 3.45Å; E374-K436 PolarHBondContact OE2-NZ 2.9Å |
| 375 | T | 89.4 | Confident | 87.1 | Confident | 15 Ų | 15 | 71.3 Ų | 71.3 | 9% | 0.092 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -123.7 | 151.3 | 174.8 | 62.8 | 0 | 0 | 0 | 0 | 110.8 | K352 V353 H381 T382 W383 | K352-T375 CarbonylContact C-O 3.59Å; K352-T375 VanDerWaalsContact CA-O 3.32Å; K352-T375 WeakPolarHBondContact CA-O 3.34Å; V353-T375 PolarHBondContact N-O 3.4Å; V353-T375 PolarHBondContact O-N 3.06Å; V353-T375 PolarHBondContact O-OG1 3.17Å; T375-H381 PolarHBondContact OG1-ND1 3.2Å; T375-H381 VanDerWaalsContact OG1-ND1 3.12Å; T375-T382 WeakPolarHBondContact CG2-O 3.48Å; T375-W383 HydrophobicContact CG2-CD2 4.17Å; T375-W383 HydrophobicContact CG2-CG 3.97Å |
| 376 | S | 85.1 | Confident | 86.3 | Confident | 98 Ų | 98 | 71 Ų | 71 | 69% | 0.685 | 37% | 0.371 | S | S | * | . | trans | -109.9 | 136.3 | 171.8 | -64.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 377 | G | 78 | Confident | 86.1 | Confident | 25 Ų | 25 | 72.9 Ų | 72.9 | 26% | 0.258 | 39% | 0.389 | S | S | . | . | trans | -179.4 | 159.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | H381 | G377-H381 VanDerWaalsContact CA-CE1 3.48Å; G377-H381 WeakPolarHBondContact CA-CE1 3.39Å; G377-H381 PolarHBondContact N-CE1 2.94Å; G377-H381 PolarHBondContact O-CE1 3.48Å; G377-H381 VanDerWaalsContact O-CE1 3.31Å | ||
| 378 | R | 74.9 | Confident | 86.1 | Confident | 175 Ų | 175 | 72.5 Ų | 72.5 | 66% | 0.66 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -83.1 | -57.8 | 174.4 | -75.8 | -174.6 | 174.9 | -169.1 | -3.4 | 111.2 | E349 | E349-R378 HydrophobicContact CG-CG 4.49Å; E349-R378 IonicContact OE1-CZ 2.74Å; E349-R378 IonicContact OE1-NE 3.48Å; E349-R378 PolarHBondContact OE1-NE 3.43Å; E349-R378 IonicContact OE1-NH2 2.71Å; E349-R378 PolarHBondContact OE1-NH2 3.07Å; E349-R378 IonicContact OE2-NH2 2.82Å |
| 379 | S | 85.4 | Confident | 86.2 | Confident | 57 Ų | 57 | 71.8 Ų | 71.8 | 40% | 0.399 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -130.8 | -27.1 | -177.6 | 61.3 | 0 | 0 | 0 | 0 | 113.5 | S343 K344 V345 | S343-S379 CarbonylContact C-O 3.53Å; K344-S379 PolarHBondContact N-O 3.4Å; V345-S379 PolarHBondContact N-O 3.01Å |
| 380 | E | 90.3 | Very high | 86.3 | Confident | 93 Ų | 93 | 68.8 Ų | 68.8 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | trans | -109.3 | 132.2 | -179.7 | -63.2 | -60.5 | 126.5 | 0 | 0 | 109.8 | G342 S343 K344 | G342-E380 CarbonylContact O-C 3.57Å; G342-E380 WeakPolarHBondContact O-CA 3.43Å; S343-E380 VanDerWaalsContact CA-OE1 3.25Å; S343-E380 WeakPolarHBondContact CA-OE1 3.33Å; S343-E380 WeakPolarHBondContact CB-OE1 3.33Å; S343-E380 VanDerWaalsContact CB-OE2 3.25Å; S343-E380 WeakPolarHBondContact CB-OE2 3Å; K344-E380 PolarHBondContact N-OE1 3.49Å | ||
| 381 | H | 90.4 | Very high | 86.4 | Confident | 3 Ų | 3 | 74.2 Ų | 74.2 | 1% | 0.014 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 130.3 | -176.3 | -63.7 | -93.4 | 0 | 0 | 0 | 109.7 | K341 G342 V353 T375 G377 W383 | K341-H381 CarbonylContact C-O 3.53Å; K341-H381 VanDerWaalsContact CA-O 3.25Å; K341-H381 WeakPolarHBondContact CA-O 3.49Å; K341-H381 WeakPolarHBondContact CB-O 3.4Å; G342-H381 PolarHBondContact N-O 3.36Å; G342-H381 PolarHBondContact O-N 3.08Å; V353-H381 WeakPolarHBondContact CG2-CE1 3.34Å; T375-H381 PolarHBondContact OG1-ND1 3.2Å; T375-H381 VanDerWaalsContact OG1-ND1 3.12Å; G377-H381 VanDerWaalsContact CA-CE1 3.48Å; G377-H381 WeakPolarHBondContact CA-CE1 3.39Å; G377-H381 PolarHBondContact N-CE1 2.94Å; G377-H381 PolarHBondContact O-CE1 3.48Å; G377-H381 VanDerWaalsContact O-CE1 3.31Å; H381-W383 HydrophobicContact CB-CH2 3.91Å; H381-W383 HydrophobicContact CB-CZ2 4.2Å; H381-W383 HydrophobicContact CB-CZ3 4.34Å |
| 382 | T | 89.6 | Confident | 86.7 | Confident | 99 Ų | 99 | 71.6 Ų | 71.6 | 61% | 0.607 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136 | 178.5 | -50.9 | 0 | 0 | 0 | 0 | 109.5 | T375 | T375-T382 WeakPolarHBondContact CG2-O 3.48Å |
| 383 | W | 86.8 | Confident | 86.9 | Confident | 8 Ų | 8 | 72.3 Ų | 72.3 | 3% | 0.03 | 38% | 0.377 | C | S | . | . | trans | -102 | 127.4 | -179.2 | -69.5 | -92.7 | 0 | 0 | 0 | 110.8 | L339 G342 V353 V355 S372 S373 T375 H381 L494 | L339-W383 HydrophobicContact CD1-CE3 4.05Å; L339-W383 HydrophobicContact CD1-CZ3 3.95Å; L339-W383 HydrophobicContact CD2-CB 4.43Å; L339-W383 HydrophobicContact CD2-CD2 3.41Å; L339-W383 VanDerWaalsContact CD2-CD2 3.41Å; L339-W383 HydrophobicContact CD2-CE3 3.57Å; L339-W383 HydrophobicContact CD2-CG 3.77Å; L339-W383 HydrophobicContact CD2-CH2 4.32Å; L339-W383 HydrophobicContact CD2-CZ2 4.23Å; L339-W383 HydrophobicContact CD2-CZ3 3.97Å; L339-W383 HydrophobicContact CG-CD2 3.84Å; L339-W383 HydrophobicContact CG-CE3 3.49Å; L339-W383 VanDerWaalsContact CG-CE3 3.49Å; L339-W383 HydrophobicContact CG-CG 4.28Å; L339-W383 HydrophobicContact CG-CZ3 3.91Å; G342-W383 VanDerWaalsContact N-CZ3 3.3Å; V353-W383 HydrophobicContact CG1-CZ2 4.42Å; V355-W383 HydrophobicContact CG2-CH2 3.58Å; V355-W383 HydrophobicContact CG2-CZ2 3.47Å; V355-W383 VanDerWaalsContact CG2-CZ2 3.47Å; V355-W383 HydrophobicContact CG2-CZ3 4.41Å; S372-W383 PolarHBondContact OG-NE1 3.13Å; S372-W383 VanDerWaalsContact OG-NE1 3.12Å; S373-W383 VanDerWaalsContact O-CD1 3.32Å; S373-W383 PolarHBondContact O-NE1 3.1Å; T375-W383 HydrophobicContact CG2-CD2 4.17Å; T375-W383 HydrophobicContact CG2-CG 3.97Å; H381-W383 HydrophobicContact CB-CH2 3.91Å; H381-W383 HydrophobicContact CB-CZ2 4.2Å; H381-W383 HydrophobicContact CB-CZ3 4.34Å; W383-L494 HydrophobicContact CZ3-CD1 4.46Å | ||
| 384 | R | 63.8 | Low | 87.2 | Confident | 247 Ų | 247 | 69.4 Ų | 69.4 | 93% | 0.932 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -79.8 | -34.1 | -175.3 | -61.6 | -172.1 | -156 | -164.3 | 5.3 | 113.4 | ||
| 385 | D | 66.7 | Low | 87.5 | Confident | 149 Ų | 149 | 67 Ų | 67 | 80% | 0.797 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -111.3 | 92.5 | 170.8 | -115.9 | -25.1 | 0 | 0 | 0 | 106.8 | ||
| 386 | N | 78.5 | Confident | 87.8 | Confident | 61 Ų | 61 | 68.1 Ų | 68.1 | 33% | 0.326 | 35% | 0.352 | S | S | . | . | trans | -97.8 | -9.9 | -161.4 | 55.5 | 6.8 | 0 | 0 | 0 | 114.4 | V338 L339 L388 | V338-N386 CarbonylContact C-O 3.6Å; V338-N386 WeakPolarHBondContact CA-O 3.42Å; V338-N386 HydrophobicContact CG1-CB 4.06Å; V338-N386 VanDerWaalsContact CG1-CG 3.5Å; V338-N386 VanDerWaalsContact CG1-ND2 3.35Å; V338-N386 WeakPolarHBondContact CG1-ND2 3.39Å; L339-N386 PolarHBondContact N-O 3.19Å; L339-N386 WeakPolarHBondContact O-CB 3.49Å; N386-L388 PolarHBondContact O-N 2.99Å | ||
| 387 | A | 90.4 | Very high | 88.4 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 44% | 0.438 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 110.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | I337 | I337-A387 CarbonylContact O-C 3.49Å |
| 388 | L | 94.3 | Very high | 89.3 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 104.6 | 166.6 | -55.6 | 179.3 | 0 | 0 | 0 | 107.8 | R336 I337 L339 A357 V370 N386 F390 F405 | R336-L388 CarbonylContact C-O 3.53Å; R336-L388 WeakPolarHBondContact CA-O 3.32Å; I337-L388 PolarHBondContact N-O 2.87Å; I337-L388 PolarHBondContact O-N 3.47Å; L339-L388 HydrophobicContact CB-CD1 4.42Å; A357-L388 HydrophobicContact CB-CD1 3.83Å; V370-L388 HydrophobicContact CB-CB 4.45Å; V370-L388 HydrophobicContact CG1-CB 4Å; V370-L388 HydrophobicContact CG1-CD2 3.96Å; N386-L388 PolarHBondContact O-N 2.99Å; L388-F390 HydrophobicContact CB-CE2 4.17Å; L388-F390 WeakPolarHBondContact O-CD2 3.38Å; L388-F390 WeakPolarHBondContact O-CE2 3.4Å; L388-F405 HydrophobicContact CD1-CE1 4.31Å |
| 389 | E | 95.2 | Very high | 90.3 | Very high | 124 Ų | 124 | 54.6 Ų | 54.6 | 58% | 0.579 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 129.3 | 178.4 | -172.4 | 170.9 | -172.6 | 0 | 0 | 110.6 | R336 V370 | R336-E389 HydrophobicContact CB-CB 4.47Å; V370-E389 WeakPolarHBondContact CG2-O 3.35Å |
| 390 | F | 96.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 141 | -178.4 | -64.7 | -96.7 | 0 | 0 | 0 | 110 | F335 I337 A357 L359 V370 L388 I392 L403 | F335-F390 HydrophobicContact CD1-CB 4.33Å; F335-F390 AromaticContact CD1-CD2 3.57Å; F335-F390 HydrophobicContact CD1-CD2 3.57Å; F335-F390 HydrophobicContact CD1-CE2 4.12Å; F335-F390 HydrophobicContact CD1-CG 4.1Å; F335-F390 AromaticContact CE1-CD2 3.98Å; F335-F390 HydrophobicContact CE1-CD2 3.98Å; F335-F390 HydrophobicContact CE1-CE2 4.05Å; F335-F390 WeakPolarHBondContact O-CB 3.36Å; F335-F390 PolarHBondContact O-N 3.05Å; I337-F390 HydrophobicContact CB-CE2 4.44Å; I337-F390 HydrophobicContact CG1-CE2 4.37Å; A357-F390 HydrophobicContact CB-CE1 4.26Å; A357-F390 HydrophobicContact CB-CZ 3.77Å; L359-F390 HydrophobicContact CD1-CB 3.86Å; L359-F390 HydrophobicContact CD1-CD1 3.69Å; L359-F390 HydrophobicContact CD1-CD2 4.37Å; L359-F390 HydrophobicContact CD1-CE1 4.31Å; L359-F390 HydrophobicContact CD1-CG 3.71Å; L359-F390 HydrophobicContact CG-CD1 3.74Å; L359-F390 HydrophobicContact CG-CE1 3.89Å; L359-F390 HydrophobicContact CG-CG 4.21Å; L359-F390 HydrophobicContact CG-CZ 4.47Å; V370-F390 HydrophobicContact CB-CE1 4.31Å; V370-F390 HydrophobicContact CG2-CD1 3.61Å; V370-F390 HydrophobicContact CG2-CD2 4.47Å; V370-F390 HydrophobicContact CG2-CE1 3.76Å; V370-F390 HydrophobicContact CG2-CG 4Å; V370-F390 HydrophobicContact CG2-CZ 4.27Å; L388-F390 HydrophobicContact CB-CE2 4.17Å; L388-F390 WeakPolarHBondContact O-CD2 3.38Å; L388-F390 WeakPolarHBondContact O-CE2 3.4Å; F390-I392 HydrophobicContact CB-CG2 3.99Å; F390-I392 PolarHBondContact O-N 3.24Å; F390-L403 HydrophobicContact CE1-CD1 4.44Å; F390-L403 HydrophobicContact CE2-CD1 4.41Å; F390-L403 HydrophobicContact CZ-CD1 3.8Å |
| 391 | E | 95.7 | Very high | 91.2 | Very high | 144 Ų | 144 | 47.7 Ų | 47.7 | 67% | 0.673 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 52.4 | 177.6 | -63.6 | 178.9 | 174.5 | 0 | 0 | 111.4 | C367 K368 | C367-E391 HydrophobicContact CB-CB 4.47Å; K368-E391 IonicContact NZ-OE2 3.45Å |
| 392 | I | 96.3 | Very high | 91.5 | Very high | 13 Ų | 13 | 48.3 Ų | 48.3 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 138.6 | 177.8 | -169.6 | 164.4 | 0 | 0 | 0 | 110.8 | S334 F335 L359 L366 C367 F390 D396 L397 | S334-I392 WeakPolarHBondContact CA-O 3.49Å; F335-I392 HydrophobicContact CB-CG2 4.17Å; F335-I392 PolarHBondContact N-O 3.17Å; L359-I392 HydrophobicContact CD1-CG2 3.59Å; L366-I392 HydrophobicContact CB-CD1 4.04Å; C367-I392 HydrophobicContact CB-CB 4.34Å; F390-I392 HydrophobicContact CB-CG2 3.99Å; F390-I392 PolarHBondContact O-N 3.24Å; I392-D396 HydrophobicContact CG1-CB 4.18Å; I392-L397 HydrophobicContact CD1-CD2 4.06Å; I392-L397 HydrophobicContact CG1-CD2 4.39Å; I392-L397 HydrophobicContact CG2-CD2 4.06Å |
| 393 | S | 97 | Very high | 91.9 | Very high | 23 Ų | 23 | 43.6 Ų | 43.6 | 16% | 0.161 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 149.2 | 174.3 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | S332 S395 D396 | S332-S393 VanDerWaalsContact C-OG 3.27Å; S332-S393 WeakPolarHBondContact CA-OG 3.37Å; S332-S393 PolarHBondContact O-OG 3.18Å; S393-S395 PolarHBondContact O-N 2.71Å; S393-S395 PolarHBondContact OG-OG 2.89Å; S393-D396 PolarHBondContact O-N 3.35Å; S393-D396 VanDerWaalsContact O-N 3.09Å |
| 394 | I | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -59.1 | -40 | 173.8 | -69.8 | 166 | 0 | 0 | 0 | 111.2 | V328 V331 S333 F335 D396 L397 L455 Y501 | V328-I394 HydrophobicContact CG2-CG2 3.56Å; V328-I394 WeakPolarHBondContact CG2-O 3.34Å; V331-I394 HydrophobicContact CB-CB 4.21Å; V331-I394 HydrophobicContact CB-CG2 3.92Å; V331-I394 HydrophobicContact CG1-CB 3.98Å; V331-I394 HydrophobicContact CG1-CD1 3.76Å; V331-I394 HydrophobicContact CG1-CG1 4.48Å; V331-I394 HydrophobicContact CG1-CG2 3.98Å; S333-I394 WeakPolarHBondContact O-CG1 3.31Å; S333-I394 PolarHBondContact O-N 3.45Å; F335-I394 HydrophobicContact CB-CG1 4.19Å; F335-I394 HydrophobicContact CD2-CG1 4.35Å; I394-D396 PolarHBondContact O-N 3.08Å; I394-D396 VanDerWaalsContact O-N 3.15Å; I394-L397 HydrophobicContact CB-CD1 4.46Å; I394-L397 HydrophobicContact CG1-CD1 4.39Å; I394-L397 HydrophobicContact CG2-CD1 4.49Å; I394-L397 WeakPolarHBondContact O-CB 3.39Å; I394-L397 PolarHBondContact O-N 3.49Å; I394-L397 VanDerWaalsContact O-N 3.13Å; I394-L455 HydrophobicContact CG2-CD2 4.24Å; I394-Y501 HydrophobicContact CD1-CD1 3.35Å; I394-Y501 HydrophobicContact CD1-CD2 3.48Å; I394-Y501 VanDerWaalsContact CD1-CD2 3.48Å; I394-Y501 HydrophobicContact CD1-CE1 3.43Å; I394-Y501 VanDerWaalsContact CD1-CE1 3.43Å; I394-Y501 HydrophobicContact CD1-CE2 3.56Å; I394-Y501 HydrophobicContact CD1-CG 3.37Å |
| 395 | S | 96.3 | Very high | 93.8 | Very high | 11 Ų | 11 | 31.5 Ų | 31.5 | 8% | 0.077 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -57.2 | -25 | 176.1 | 59.9 | 0 | 0 | 0 | 0 | 114.2 | V328 V331 S393 H588 | V328-S395 VanDerWaalsContact O-CA 3.28Å; V328-S395 WeakPolarHBondContact O-CA 3.39Å; V331-S395 WeakPolarHBondContact O-CB 3.13Å; V331-S395 PolarHBondContact O-N 3.46Å; S393-S395 PolarHBondContact O-N 2.71Å; S393-S395 PolarHBondContact OG-OG 2.89Å; S395-H588 WeakPolarHBondContact O-CB 3.12Å |
| 396 | D | 97.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 24.4 Ų | 24.4 | 21% | 0.209 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -97.6 | 1.3 | -178.2 | -73.9 | -42.1 | 0 | 0 | 0 | 113.8 | I392 S393 I394 P398 S586 H588 M591 | I392-D396 HydrophobicContact CG1-CB 4.18Å; S393-D396 PolarHBondContact O-N 3.35Å; S393-D396 VanDerWaalsContact O-N 3.09Å; I394-D396 PolarHBondContact O-N 3.08Å; I394-D396 VanDerWaalsContact O-N 3.15Å; D396-P398 VanDerWaalsContact O-CD 3.25Å; D396-P398 WeakPolarHBondContact O-CD 3.38Å; D396-S586 WeakPolarHBondContact CB-O 3.37Å; D396-H588 IonicContact OD1-CE1 2.6Å; D396-H588 IonicContact OD1-CG 2.73Å; D396-H588 PolarHBondContact OD1-N 3.46Å; D396-H588 VanDerWaalsContact OD1-N 3.16Å; D396-H588 IonicContact OD1-ND1 3.75Å; D396-H588 PolarHBondContact OD1-ND1 3.38Å; D396-M591 WeakPolarHBondContact O-CE 3.27Å |
| 397 | L | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -73.2 | 122.5 | 179 | -67.6 | 171.2 | 0 | 0 | 0 | 111.4 | F335 L359 I392 I394 T401 V448 F449 | F335-L397 HydrophobicContact CB-CD1 4.25Å; F335-L397 HydrophobicContact CD2-CD1 3.63Å; F335-L397 HydrophobicContact CE2-CD1 4.24Å; F335-L397 HydrophobicContact CG-CD1 4.09Å; L359-L397 HydrophobicContact CD1-CD2 4.21Å; I392-L397 HydrophobicContact CD1-CD2 4.06Å; I392-L397 HydrophobicContact CG1-CD2 4.39Å; I392-L397 HydrophobicContact CG2-CD2 4.06Å; I394-L397 HydrophobicContact CB-CD1 4.46Å; I394-L397 HydrophobicContact CG1-CD1 4.39Å; I394-L397 HydrophobicContact CG2-CD1 4.49Å; I394-L397 WeakPolarHBondContact O-CB 3.39Å; I394-L397 PolarHBondContact O-N 3.49Å; I394-L397 VanDerWaalsContact O-N 3.13Å; L397-T401 HydrophobicContact CD2-CG2 4.22Å; L397-V448 HydrophobicContact CD1-CG1 4.25Å; L397-F449 HydrophobicContact CB-CE2 4.01Å; L397-F449 HydrophobicContact CB-CZ 4.14Å | ||
| 398 | P | 96.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.006 | 10% | 0.095 | C | C | . | . | trans | -58.9 | 150.1 | 168.2 | -24.1 | 31.7 | 0 | 0 | 0 | 113.1 | H361 L366 D396 M400 T401 F449 W585 M591 | H361-P398 HydrophobicContact CB-CG 4.43Å; H361-P398 WeakPolarHBondContact ND1-CB 3.45Å; L366-P398 HydrophobicContact CD1-CG 4.21Å; L366-P398 HydrophobicContact CD2-CG 4.15Å; D396-P398 VanDerWaalsContact O-CD 3.25Å; D396-P398 WeakPolarHBondContact O-CD 3.38Å; P398-M400 PolarHBondContact O-N 3.3Å; P398-M400 VanDerWaalsContact O-N 3.11Å; P398-T401 VanDerWaalsContact CD-OG1 3.24Å; P398-T401 WeakPolarHBondContact CD-OG1 3.45Å; P398-T401 WeakPolarHBondContact O-CB 3.47Å; P398-T401 PolarHBondContact O-N 3.32Å; P398-T401 VanDerWaalsContact O-N 3.08Å; P398-T401 PolarHBondContact O-OG1 2.89Å; P398-F449 VanDerWaalsContact O-CE2 3.23Å; P398-F449 WeakPolarHBondContact O-CE2 3.34Å; P398-W585 HydrophobicContact CG-CB 3.95Å; P398-W585 VanDerWaalsContact CG-O 3.22Å; P398-W585 WeakPolarHBondContact CG-O 3.43Å; P398-M591 HydrophobicContact CB-SD 3.87Å; P398-M591 HydrophobicContact CG-CE 4.25Å; P398-M591 HydrophobicContact CG-SD 3.84Å | ||
| 399 | R | 95.7 | Very high | 95.4 | Very high | 13 Ų | 13 | 19.6 Ų | 19.6 | 5% | 0.049 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -38.4 | 174.9 | 174.4 | 60.1 | -173.7 | 90.4 | -0.6 | 113 | T401 F449 D450 Y451 G453 F508 Y654 | R399-T401 VanDerWaalsContact C-N 3.34Å; R399-F449 VanDerWaalsContact O-CD2 3.28Å; R399-F449 WeakPolarHBondContact O-CD2 3.39Å; R399-D450 VanDerWaalsContact CZ-O 3.28Å; R399-D450 PolarHBondContact NH1-O 3.49Å; R399-D450 PolarHBondContact NH2-O 3.35Å; R399-Y451 PolarHBondContact NH2-O 3.48Å; R399-G453 VanDerWaalsContact CZ-CA 3.46Å; R399-F508 HydrophobicContact CB-CD1 3.93Å; R399-F508 HydrophobicContact CB-CD2 3.82Å; R399-F508 HydrophobicContact CB-CE1 3.8Å; R399-F508 HydrophobicContact CB-CE2 3.71Å; R399-F508 HydrophobicContact CB-CG 3.95Å; R399-F508 HydrophobicContact CB-CZ 3.69Å; R399-F508 HydrophobicContact CG-CD1 4.28Å; R399-F508 HydrophobicContact CG-CG 4.31Å; R399-Y654 PolarHBondContact NH1-OH 3.34Å |
| 400 | M | 96.7 | Very high | 95 | Very high | 5 Ų | 5 | 13.9 Ų | 13.9 | 3% | 0.025 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 25.7 | -173.8 | -55.2 | -60.5 | -93 | 0 | 0 | 112.5 | P398 R402 M447 P618 Q620 P653 Y654 | P398-M400 PolarHBondContact O-N 3.3Å; P398-M400 VanDerWaalsContact O-N 3.11Å; M400-R402 PolarHBondContact O-N 3.45Å; M400-M447 HydrophobicContact CB-CE 4.3Å; M400-M447 WeakPolarHBondContact O-CE 3.38Å; M400-M447 HydrophobicContact SD-CE 4.4Å; M400-P618 HydrophobicContact CB-CB 4.34Å; M400-P618 WeakPolarHBondContact CE-O 3.45Å; M400-P618 VanDerWaalsContact CG-O 3.31Å; M400-P618 WeakPolarHBondContact CG-O 3.36Å; M400-Q620 HydrophobicContact CE-CB 4.45Å; M400-Q620 HydrophobicContact SD-CB 4.4Å; M400-P653 HydrophobicContact CE-CG 3.3Å; M400-P653 HydrophobicContact SD-CG 4.38Å; M400-Y654 HydrophobicContact CE-CE2 4.3Å; M400-Y654 HydrophobicContact SD-CE2 4.02Å |
| 401 | T | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -63.4 | 125.5 | 177.1 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | L359 L366 L397 P398 R399 V448 | L359-T401 HydrophobicContact CB-CG2 4.36Å; L359-T401 HydrophobicContact CD2-CG2 3.86Å; L366-T401 HydrophobicContact CD1-CG2 3.76Å; L397-T401 HydrophobicContact CD2-CG2 4.22Å; P398-T401 VanDerWaalsContact CD-OG1 3.24Å; P398-T401 WeakPolarHBondContact CD-OG1 3.45Å; P398-T401 WeakPolarHBondContact O-CB 3.47Å; P398-T401 PolarHBondContact O-N 3.32Å; P398-T401 VanDerWaalsContact O-N 3.08Å; P398-T401 PolarHBondContact O-OG1 2.89Å; R399-T401 VanDerWaalsContact C-N 3.34Å; T401-V448 HydrophobicContact CG2-CB 4.25Å; T401-V448 HydrophobicContact CG2-CG2 3.71Å; T401-V448 PolarHBondContact O-N 2.99Å | ||
| 402 | R | 97.3 | Very high | 93.7 | Very high | 15 Ų | 15 | 14.4 Ų | 14.4 | 6% | 0.057 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.4 | 173.7 | -69.6 | 169.3 | 94.3 | 120.9 | -7.5 | 109.7 | L359 F360 M400 M447 P478 G480 I482 Y651 | L359-R402 WeakPolarHBondContact CA-O 3.33Å; F360-R402 PolarHBondContact N-O 3.32Å; F360-R402 PolarHBondContact O-N 2.97Å; M400-R402 PolarHBondContact O-N 3.45Å; R402-M447 HydrophobicContact CG-CE 4.22Å; R402-M447 HydrophobicContact CG-SD 3.45Å; R402-M447 WeakPolarHBondContact CG-SD 3.25Å; R402-P478 PolarHBondContact NE-O 3.39Å; R402-G480 PolarHBondContact NH2-O 2.87Å; R402-I482 HydrophobicContact CG-CG2 4.4Å; R402-Y651 PolarHBondContact NH1-O 2.87Å |
| 403 | L | 97.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 115.3 | 169.1 | 177.2 | 64.2 | 0 | 0 | 0 | 108.6 | I337 L359 F390 F405 N445 T446 V448 F498 | I337-L403 HydrophobicContact CD1-CD2 4.02Å; I337-L403 HydrophobicContact CG1-CD2 3.76Å; L359-L403 HydrophobicContact CD2-CB 4.16Å; L359-L403 HydrophobicContact CD2-CD1 3.76Å; L359-L403 HydrophobicContact CG-CD1 4.49Å; F390-L403 HydrophobicContact CE1-CD1 4.44Å; F390-L403 HydrophobicContact CE2-CD1 4.41Å; F390-L403 HydrophobicContact CZ-CD1 3.8Å; L403-F405 HydrophobicContact CD1-CE2 4.32Å; L403-F405 HydrophobicContact CD1-CZ 4.1Å; L403-F405 HydrophobicContact CD2-CE2 3.53Å; L403-F405 HydrophobicContact CD2-CZ 3.54Å; L403-F405 HydrophobicContact CG-CD2 4.31Å; L403-F405 HydrophobicContact CG-CE2 3.54Å; L403-F405 HydrophobicContact CG-CZ 3.74Å; L403-N445 CarbonylContact O-C 3.6Å; L403-N445 WeakPolarHBondContact O-CA 3.41Å; L403-T446 HydrophobicContact CB-CG2 4.22Å; L403-T446 HydrophobicContact CD2-CG2 4.32Å; L403-T446 PolarHBondContact N-O 3.18Å; L403-T446 PolarHBondContact O-N 3.48Å; L403-V448 HydrophobicContact CB-CG2 3.94Å; L403-F498 HydrophobicContact CD2-CE1 4.49Å; L403-F498 HydrophobicContact CD2-CZ 4Å |
| 404 | C | 96.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.3 | -174.2 | -64.4 | 0 | 0 | 0 | 0 | 110.5 | A357 G358 F360 N445 L476 | A357-C404 CarbonylContact C-O 3.56Å; A357-C404 VanDerWaalsContact CA-O 3.26Å; A357-C404 WeakPolarHBondContact CA-O 3.39Å; G358-C404 PolarHBondContact N-O 2.87Å; G358-C404 PolarHBondContact O-N 3.33Å; F360-C404 HydrophobicContact CD2-CB 3.91Å; F360-C404 HydrophobicContact CE2-CB 3.96Å; C404-N445 WeakPolarHBondContact CA-OD1 3.39Å; C404-N445 VanDerWaalsContact CB-OD1 3.31Å; C404-N445 WeakPolarHBondContact CB-OD1 3.48Å; C404-N445 VanDerWaalsContact SG-CG 3.6Å; C404-N445 PolarHBondContact SG-OD1 3.01Å; C404-L476 HydrophobicContact CB-CD2 4.48Å |
| 405 | F | 94.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 144.7 | 177.2 | -64.4 | -81.8 | 0 | 0 | 0 | 112 | I337 V355 R356 A357 L388 L403 W443 V444 L462 L494 I496 | I337-F405 HydrophobicContact CG2-CZ 4.21Å; V355-F405 HydrophobicContact CG1-CD1 3.85Å; R356-F405 CarbonylContact O-C 2.99Å; R356-F405 VanDerWaalsContact O-CA 3.28Å; R356-F405 WeakPolarHBondContact O-CA 3.45Å; A357-F405 HydrophobicContact CB-CD1 3.64Å; A357-F405 HydrophobicContact CB-CE1 3.57Å; L388-F405 HydrophobicContact CD1-CE1 4.31Å; L403-F405 HydrophobicContact CD1-CE2 4.32Å; L403-F405 HydrophobicContact CD1-CZ 4.1Å; L403-F405 HydrophobicContact CD2-CE2 3.53Å; L403-F405 HydrophobicContact CD2-CZ 3.54Å; L403-F405 HydrophobicContact CG-CD2 4.31Å; L403-F405 HydrophobicContact CG-CE2 3.54Å; L403-F405 HydrophobicContact CG-CZ 3.74Å; F405-W443 WeakPolarHBondContact O-CA 3.2Å; F405-W443 WeakPolarHBondContact O-CB 3.47Å; F405-V444 HydrophobicContact CB-CG1 4.02Å; F405-V444 HydrophobicContact CD2-CG1 4.24Å; F405-V444 PolarHBondContact N-O 2.87Å; F405-V444 PolarHBondContact O-N 3.28Å; F405-L462 HydrophobicContact CD2-CD1 4.1Å; F405-L462 HydrophobicContact CE2-CD1 4Å; F405-L494 HydrophobicContact CB-CD2 3.93Å; F405-L494 HydrophobicContact CD1-CD2 3.75Å; F405-L494 HydrophobicContact CD2-CD2 4.04Å; F405-L494 HydrophobicContact CE1-CD2 4.2Å; F405-L494 HydrophobicContact CE2-CD2 4.46Å; F405-L494 HydrophobicContact CG-CD2 3.65Å; F405-I496 HydrophobicContact CE2-CD1 3.92Å; F405-I496 HydrophobicContact CE2-CG2 4.4Å; F405-I496 HydrophobicContact CZ-CD1 4.15Å; F405-I496 HydrophobicContact CZ-CG2 4.01Å |
| 406 | A | 92.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 135.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V355 R356 Y408 W443 F468 L476 | V355-A406 WeakPolarHBondContact CA-O 3.45Å; R356-A406 PolarHBondContact N-O 3.3Å; R356-A406 PolarHBondContact O-N 3.15Å; A406-Y408 HydrophobicContact CB-CD2 4.23Å; A406-Y408 HydrophobicContact CB-CE2 3.56Å; A406-W443 HydrophobicContact CB-CB 4.47Å; A406-F468 HydrophobicContact CB-CE1 4.31Å; A406-L476 HydrophobicContact CB-CD2 3.71Å |
| 407 | I | 91.4 | Very high | 83.1 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.5 | 178.9 | -52.1 | 178.4 | 0 | 0 | 0 | 108.1 | V345 V353 V355 I441 A442 T492 L494 | V345-I407 HydrophobicContact CG1-CG2 4.19Å; V353-I407 HydrophobicContact CG1-CG2 3.69Å; V355-I407 HydrophobicContact CG2-CG1 4.37Å; I407-I441 HydrophobicContact CB-CB 4.48Å; I407-I441 HydrophobicContact CG2-CB 4.4Å; I407-I441 HydrophobicContact CG2-CD1 4.24Å; I407-I441 PolarHBondContact O-N 3.25Å; I407-A442 PolarHBondContact N-O 2.98Å; I407-T492 HydrophobicContact CD1-CG2 3.64Å; I407-L494 HydrophobicContact CD1-CD1 4.35Å |
| 408 | Y | 89.1 | Confident | 80.5 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 4% | 0.039 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.6 | -178.3 | -76.4 | -86.2 | 0 | 0 | 0 | 111.9 | V353 Q354 R356 A406 I431 H438 Y439 P440 M475 | V353-Y408 WeakPolarHBondContact CA-O 3.46Å; Q354-Y408 PolarHBondContact N-O 2.99Å; Q354-Y408 PolarHBondContact O-N 3.24Å; R356-Y408 HydrophobicContact CG-CD2 4.13Å; R356-Y408 HydrophobicContact CG-CE2 4.35Å; A406-Y408 HydrophobicContact CB-CD2 4.23Å; A406-Y408 HydrophobicContact CB-CE2 3.56Å; Y408-I431 HydrophobicContact CE1-CD1 4.48Å; Y408-H438 HydrophobicContact CD1-CB 3.86Å; Y408-H438 HydrophobicContact CG-CB 4.48Å; Y408-Y439 CarbonylContact C-O 3.33Å; Y408-Y439 VanDerWaalsContact CA-O 3.31Å; Y408-Y439 WeakPolarHBondContact CA-O 3.43Å; Y408-P440 HydrophobicContact CD1-CB 4.22Å; Y408-P440 HydrophobicContact CE1-CB 3.69Å; Y408-P440 HydrophobicContact CE1-CG 4.41Å; Y408-M475 HydrophobicContact CE2-CB 4.43Å; Y408-M475 WeakPolarHBondContact CE2-O 3.3Å; Y408-M475 VanDerWaalsContact OH-C 3.28Å; Y408-M475 WeakPolarHBondContact OH-CA 3.21Å; Y408-M475 WeakPolarHBondContact OH-CB 3.48Å; Y408-M475 PolarHBondContact OH-O 2.77Å |
| 409 | A | 88.9 | Confident | 77.7 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 7% | 0.066 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 131.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | A347 A351 K352 H438 Y439 I441 | A347-A409 HydrophobicContact CB-CB 4.39Å; A351-A409 HydrophobicContact CB-CB 3.98Å; K352-A409 CarbonylContact O-C 3.5Å; K352-A409 WeakPolarHBondContact O-CA 3.37Å; A409-H438 CarbonylContact O-C 3.44Å; A409-H438 WeakPolarHBondContact O-CA 3.14Å; A409-Y439 PolarHBondContact N-O 3.41Å; A409-Y439 PolarHBondContact O-N 3.44Å; A409-I441 HydrophobicContact CB-CD1 3.78Å; A409-I441 HydrophobicContact CB-CG1 4.13Å |
| 410 | V | 87.8 | Confident | 75 | Confident | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.03 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 119.1 | -177.4 | -171.6 | 0 | 0 | 0 | 0 | 108.1 | K352 Q354 K436 | K352-V410 HydrophobicContact CB-CB 4.38Å; K352-V410 PolarHBondContact N-O 2.8Å; K352-V410 PolarHBondContact O-N 3Å; Q354-V410 HydrophobicContact CB-CG2 3.89Å; V410-K436 HydrophobicContact CG1-CB 4.12Å; V410-K436 HydrophobicContact CG1-CD 3.8Å; V410-K436 HydrophobicContact CG1-CG 4.38Å |
| 411 | M | 84.3 | Confident | 72.6 | Confident | 41 Ų | 41 | 81.4 Ų | 81.4 | 20% | 0.202 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 145.3 | -179.9 | -64.4 | -162.1 | -80 | 0 | 0 | 111.2 | A351 K436 V437 Y439 | A351-M411 HydrophobicContact CB-CG 3.68Å; A351-M411 HydrophobicContact CB-SD 4.21Å; M411-K436 CarbonylContact O-C 3.49Å; M411-K436 WeakPolarHBondContact O-CA 3.39Å; M411-V437 PolarHBondContact N-O 3.14Å; M411-V437 PolarHBondContact O-N 2.83Å; M411-Y439 HydrophobicContact CB-CE2 4.47Å; M411-Y439 HydrophobicContact CE-CD2 3.51Å; M411-Y439 HydrophobicContact CE-CE1 4.41Å; M411-Y439 HydrophobicContact CE-CE2 3.04Å; M411-Y439 HydrophobicContact CE-CG 4.37Å; M411-Y439 HydrophobicContact CG-CE2 4.48Å |
| 412 | D | 80.5 | Confident | 69.4 | Low | 115 Ų | 115 | 88 Ų | 88 | 62% | 0.615 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 144.5 | 173.4 | -68.4 | -35 | 0 | 0 | 0 | 110.7 | V414 K436 | D412-V414 PolarHBondContact O-N 3.42Å; D412-K436 WeakPolarHBondContact OD1-CE 3.47Å |
| 413 | K | 68.2 | Low | 66.4 | Low | 136 Ų | 136 | 92.8 Ų | 92.8 | 59% | 0.591 | 47% | 0.468 | S | S | * | . | trans | -69.1 | 104.8 | -178.8 | -173.5 | -178.1 | -175.4 | -176.2 | 0 | 110.7 | K415 G435 | K413-K415 PolarHBondContact O-N 3.27Å; K413-G435 WeakPolarHBondContact CB-O 3.36Å; K413-G435 PolarHBondContact N-O 2.92Å | ||
| 414 | V | 60.1 | Low | 63.4 | Low | 120 Ų | 120 | 101.1 Ų | 101.1 | 73% | 0.727 | 51% | 0.507 | S | S | * | . | trans | -67.1 | 123.2 | 171.1 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | D412 K416 | D412-V414 PolarHBondContact O-N 3.42Å; V414-K416 PolarHBondContact O-N 2.86Å | ||
| 415 | K | 48.4 | Very low | 60.7 | Low | 208 Ų | 208 | 107.5 Ų | 107.5 | 90% | 0.904 | 54% | 0.539 | S | S | * | . | trans | -63.5 | 95.9 | 164.6 | -78.8 | -178.5 | 178.1 | 175.9 | 0 | 107.9 | K413 Q417 | K413-K415 PolarHBondContact O-N 3.27Å; K415-Q417 PolarHBondContact O-N 3.49Å | ||
| 416 | K | 45.4 | Very low | 57.9 | Low | 196 Ų | 196 | 114.8 Ų | 114.8 | 85% | 0.852 | 58% | 0.578 | S | S | * | * | trans | -63.9 | 122.3 | 177.2 | -86.7 | -171.3 | 175.4 | -178.7 | 0 | 110.9 | V414 | V414-K416 PolarHBondContact O-N 2.86Š| ||
| 417 | Q | 38.3 | Very low | 55.4 | Low | 184 Ų | 184 | 122.6 Ų | 122.6 | 86% | 0.86 | 61% | 0.612 | S | S | * | * | trans | -60.3 | 144.1 | 150.2 | -86 | -175.8 | -19.6 | 0 | 0 | 109.1 | K415 S419 | K415-Q417 PolarHBondContact O-N 3.49Å; Q417-S419 PolarHBondContact O-N 2.94Å; Q417-S419 VanDerWaalsContact O-N 3.07Å | ||
| 418 | K | 41.9 | Very low | 53.2 | Low | 223 Ų | 223 | 129.6 Ų | 129.6 | 97% | 0.97 | 64% | 0.64 | S | S | * | * | trans | -54.8 | 111.3 | 176.1 | -76.2 | 177 | 174.3 | 176.7 | 0 | 109.8 | ||||
| 419 | S | 37.7 | Very low | 51.3 | Low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 66% | 0.66 | S | S | * | * | trans | -142.9 | 147.9 | 165.1 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | Q417 | Q417-S419 PolarHBondContact O-N 2.94Å; Q417-S419 VanDerWaalsContact O-N 3.07Å | ||
| 420 | T | 40.3 | Very low | 49.7 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | trans | -72.9 | 143.4 | -154 | 34.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 421 | K | 44.9 | Very low | 48.3 | Very low | 203 Ų | 203 | 137.3 Ų | 137.3 | 88% | 0.883 | 68% | 0.678 | S | S | * | * | trans | -0.3 | 108.1 | 161.2 | -67.4 | 178.1 | 175.7 | 179.2 | 0 | 116.9 | ||||
| 422 | N | 31.9 | Very low | 47.2 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | trans | -130.7 | 112.7 | 147.8 | -103.8 | -12.6 | 0 | 0 | 0 | 107.9 | H424 | N422-H424 PolarHBondContact O-N 3.01Š| ||
| 423 | P | 34.7 | Very low | 46.2 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 75% | 0.747 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 9.6 | -166.4 | 32.1 | -31.5 | 0 | 0 | 0 | 115.4 | ||
| 424 | H | 34.6 | Very low | 45.8 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 81% | 0.806 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 6.2 | -166.7 | -83.4 | -64 | 0 | 0 | 0 | 118.1 | N422 | N422-H424 PolarHBondContact O-N 3.01Š|
| 425 | I | 38.3 | Very low | 46.2 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -105.8 | -7.9 | -170.7 | -68.8 | 174.1 | 0 | 0 | 0 | 115.7 | K427 | I425-K427 PolarHBondContact O-N 2.92Š|
| 426 | N | 36.1 | Very low | 47.6 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 82% | 0.824 | 67% | 0.671 | S | S | * | * | trans | -103.5 | 67.3 | -178.5 | -68.2 | -14.3 | 0 | 0 | 0 | 112.5 | ||||
| 427 | K | 40.8 | Very low | 49.3 | Very low | 163 Ų | 163 | 124.7 Ų | 124.7 | 71% | 0.709 | 64% | 0.635 | S | S | * | * | trans | -95.3 | -17.4 | 169.7 | -111.1 | -169.1 | 175.6 | -161.1 | 0 | 114.2 | I425 | I425-K427 PolarHBondContact O-N 2.92Š| ||
| 428 | Y | 44.1 | Very low | 51.4 | Low | 150 Ų | 150 | 116.5 Ų | 116.5 | 59% | 0.588 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -99.5 | 132.9 | -178.6 | -58 | -72.9 | 0 | 0 | 0 | 111.7 | T430 | Y428-T430 PolarHBondContact O-N 3.21Å; Y428-T430 VanDerWaalsContact O-N 3.08Å |
| 429 | Q | 50.3 | Low | 53.4 | Low | 101 Ų | 101 | 109.9 Ų | 109.9 | 47% | 0.472 | 57% | 0.567 | S | S | . | * | trans | -63.5 | 109.9 | 174.3 | -152.9 | 174.9 | 14.6 | 0 | 0 | 108.8 | ||||
| 430 | T | 55.3 | Low | 55.6 | Low | 43 Ų | 43 | 106 Ų | 106 | 26% | 0.264 | 54% | 0.538 | S | S | . | . | trans | -97.1 | 120.4 | -178.2 | 41.7 | 0 | 0 | 0 | 0 | 110 | Y428 R432 V437 Y439 | Y428-T430 PolarHBondContact O-N 3.21Å; Y428-T430 VanDerWaalsContact O-N 3.08Å; T430-R432 PolarHBondContact O-N 2.64Å; T430-V437 HydrophobicContact CG2-CG1 3.88Å; T430-Y439 HydrophobicContact CG2-CD1 3.66Å; T430-Y439 HydrophobicContact CG2-CE1 3.27Å; T430-Y439 HydrophobicContact CG2-CG 4.46Å | ||
| 431 | I | 58.8 | Low | 57.9 | Low | 40 Ų | 40 | 101 Ų | 101 | 21% | 0.205 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 121.4 | -177.1 | -44.8 | -170.9 | 0 | 0 | 0 | 108.4 | Y408 V437 H438 M475 | Y408-I431 HydrophobicContact CE1-CD1 4.48Å; I431-V437 CarbonylContact O-C 3.57Å; I431-V437 VanDerWaalsContact O-CA 3.27Å; I431-V437 WeakPolarHBondContact O-CA 3.48Å; I431-H438 HydrophobicContact CB-CB 4.06Å; I431-H438 HydrophobicContact CG1-CB 4.38Å; I431-H438 PolarHBondContact N-O 3.45Å; I431-H438 PolarHBondContact O-N 3.06Å; I431-M475 HydrophobicContact CD1-CB 4.05Å; I431-M475 HydrophobicContact CD1-CG 3.29Å; I431-M475 HydrophobicContact CD1-SD 3.15Å; I431-M475 WeakPolarHBondContact CD1-SD 3.46Å; I431-M475 HydrophobicContact CG1-SD 4.47Å; I431-M475 HydrophobicContact CG2-SD 4.34Å |
| 432 | R | 61 | Low | 60.1 | Low | 188 Ų | 188 | 91.4 Ų | 91.4 | 71% | 0.709 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 95.9 | 176.8 | -62.7 | 179.7 | -176.1 | 177.7 | 2.4 | 108.9 | T430 K436 | T430-R432 PolarHBondContact O-N 2.64Å; R432-K436 WeakPolarHBondContact CA-O 3.37Å |
| 433 | K | 59.3 | Low | 63 | Low | 145 Ų | 145 | 85.6 Ų | 85.6 | 63% | 0.63 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.7 | 178 | -160.4 | 173.7 | -177.2 | 177.3 | 0 | 109.5 | G435 K436 | K433-G435 VanDerWaalsContact C-N 3.25Å; K433-G435 PolarHBondContact O-N 3.02Å; K433-G435 VanDerWaalsContact O-N 3.09Å; K433-K436 PolarHBondContact N-O 3.15Å; K433-K436 VanDerWaalsContact N-O 3.16Å; K433-K436 PolarHBondContact O-N 3.21Å |
| 434 | A | 59.7 | Low | 65.9 | Low | 105 Ų | 105 | 80.1 Ų | 80.1 | 87% | 0.868 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 37 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | K436 | A434-K436 VanDerWaalsContact C-N 3.33Å; A434-K436 PolarHBondContact O-N 3.1Å |
| 435 | G | 68.9 | Low | 68.8 | Low | 44 Ų | 44 | 71.9 Ų | 71.9 | 45% | 0.454 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 7.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | K413 K433 | K413-G435 WeakPolarHBondContact CB-O 3.36Å; K413-G435 PolarHBondContact N-O 2.92Å; K433-G435 VanDerWaalsContact C-N 3.25Å; K433-G435 PolarHBondContact O-N 3.02Å; K433-G435 VanDerWaalsContact O-N 3.09Å |
| 436 | K | 77.6 | Confident | 71.6 | Confident | 53 Ų | 53 | 65.9 Ų | 65.9 | 23% | 0.23 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 154.8 | 173.9 | -68.6 | 177.6 | 171.8 | -179.8 | 0 | 111.7 | E374 V410 M411 D412 R432 K433 A434 | E374-K436 VanDerWaalsContact CD-NZ 3.34Å; E374-K436 IonicContact OE1-NZ 3.62Å; E374-K436 PolarHBondContact OE1-NZ 3.42Å; E374-K436 IonicContact OE2-NZ 3.45Å; E374-K436 PolarHBondContact OE2-NZ 2.9Å; V410-K436 HydrophobicContact CG1-CB 4.12Å; V410-K436 HydrophobicContact CG1-CD 3.8Å; V410-K436 HydrophobicContact CG1-CG 4.38Å; M411-K436 CarbonylContact O-C 3.49Å; M411-K436 WeakPolarHBondContact O-CA 3.39Å; D412-K436 WeakPolarHBondContact OD1-CE 3.47Å; R432-K436 WeakPolarHBondContact CA-O 3.37Å; K433-K436 PolarHBondContact N-O 3.15Å; K433-K436 VanDerWaalsContact N-O 3.16Å; K433-K436 PolarHBondContact O-N 3.21Å; A434-K436 VanDerWaalsContact C-N 3.33Å; A434-K436 PolarHBondContact O-N 3.1Å |
| 437 | V | 81 | Confident | 74.5 | Confident | 16 Ų | 16 | 58.7 Ų | 58.7 | 10% | 0.097 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.2 | 176.2 | -169 | 0 | 0 | 0 | 0 | 109.1 | M411 T430 I431 Y439 | M411-V437 PolarHBondContact N-O 3.14Å; M411-V437 PolarHBondContact O-N 2.83Å; T430-V437 HydrophobicContact CG2-CG1 3.88Å; I431-V437 CarbonylContact O-C 3.57Å; I431-V437 VanDerWaalsContact O-CA 3.27Å; I431-V437 WeakPolarHBondContact O-CA 3.48Å; V437-Y439 HydrophobicContact CB-CE2 3.79Å; V437-Y439 HydrophobicContact CG1-CD2 4.17Å; V437-Y439 HydrophobicContact CG1-CE1 4.45Å; V437-Y439 HydrophobicContact CG1-CE2 3.38Å |
| 438 | H | 82.6 | Confident | 77.3 | Confident | 13 Ų | 13 | 51 Ų | 51 | 6% | 0.06 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 131.8 | 176.7 | -56.2 | -103.7 | 0 | 0 | 0 | 110.9 | R356 Y408 A409 I431 | R356-H438 PolarHBondContact NH2-CE1 2.89Å; R356-H438 PolarHBondContact NH2-ND1 2.95Å; Y408-H438 HydrophobicContact CD1-CB 3.86Å; Y408-H438 HydrophobicContact CG-CB 4.48Å; A409-H438 CarbonylContact O-C 3.44Å; A409-H438 WeakPolarHBondContact O-CA 3.14Å; I431-H438 HydrophobicContact CB-CB 4.06Å; I431-H438 HydrophobicContact CG1-CB 4.38Å; I431-H438 PolarHBondContact N-O 3.45Å; I431-H438 PolarHBondContact O-N 3.06Å |
| 439 | Y | 83.1 | Confident | 79.8 | Confident | 84 Ų | 84 | 43.8 Ų | 43.8 | 33% | 0.329 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.4 | 177.5 | -64.1 | -94.3 | 0 | 0 | 0 | 109.4 | Y408 A409 M411 T430 V437 | Y408-Y439 CarbonylContact C-O 3.33Å; Y408-Y439 VanDerWaalsContact CA-O 3.31Å; Y408-Y439 WeakPolarHBondContact CA-O 3.43Å; A409-Y439 PolarHBondContact N-O 3.41Å; A409-Y439 PolarHBondContact O-N 3.44Å; M411-Y439 HydrophobicContact CB-CE2 4.47Å; M411-Y439 HydrophobicContact CE-CD2 3.51Å; M411-Y439 HydrophobicContact CE-CE1 4.41Å; M411-Y439 HydrophobicContact CE-CE2 3.04Å; M411-Y439 HydrophobicContact CE-CG 4.37Å; M411-Y439 HydrophobicContact CG-CE2 4.48Å; T430-Y439 HydrophobicContact CG2-CD1 3.66Å; T430-Y439 HydrophobicContact CG2-CE1 3.27Å; T430-Y439 HydrophobicContact CG2-CG 4.46Å; V437-Y439 HydrophobicContact CB-CE2 3.79Å; V437-Y439 HydrophobicContact CG1-CD2 4.17Å; V437-Y439 HydrophobicContact CG1-CE1 4.45Å; V437-Y439 HydrophobicContact CG1-CE2 3.38Å |
| 440 | P | 85.2 | Confident | 82 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 20% | 0.201 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 132.9 | 177 | 28.8 | -33.3 | 0 | 0 | 0 | 110.2 | Y408 F468 | Y408-P440 HydrophobicContact CD1-CB 4.22Å; Y408-P440 HydrophobicContact CE1-CB 3.69Å; Y408-P440 HydrophobicContact CE1-CG 4.41Å; P440-F468 HydrophobicContact CB-CD1 3.99Å; P440-F468 HydrophobicContact CB-CD2 3.75Å; P440-F468 HydrophobicContact CB-CE1 3.82Å; P440-F468 HydrophobicContact CB-CE2 3.6Å; P440-F468 HydrophobicContact CB-CG 3.94Å; P440-F468 HydrophobicContact CB-CZ 3.61Å; P440-F468 HydrophobicContact CG-CD2 4.32Å; P440-F468 HydrophobicContact CG-CG 4.39Å |
| 441 | I | 87.6 | Confident | 83.9 | Confident | 24 Ų | 24 | 41.5 Ų | 41.5 | 12% | 0.123 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -56.1 | 179.9 | -61.2 | 172.9 | 0 | 0 | 0 | 110.4 | V345 A347 I407 A409 | V345-I441 HydrophobicContact CG1-CD1 3.78Å; V345-I441 HydrophobicContact CG1-CG2 4.31Å; A347-I441 HydrophobicContact CB-CD1 3.87Å; I407-I441 HydrophobicContact CB-CB 4.48Å; I407-I441 HydrophobicContact CG2-CB 4.4Å; I407-I441 HydrophobicContact CG2-CD1 4.24Å; I407-I441 PolarHBondContact O-N 3.25Å; A409-I441 HydrophobicContact CB-CD1 3.78Å; A409-I441 HydrophobicContact CB-CG1 4.13Å |
| 442 | A | 91.5 | Very high | 85.6 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 156 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | I407 C464 W465 F468 T492 | I407-A442 PolarHBondContact N-O 2.98Å; A442-C464 HydrophobicContact CB-CB 3.58Å; A442-W465 CarbonylContact C-O 3.59Å; A442-W465 WeakPolarHBondContact CA-O 3.48Å; A442-W465 WeakPolarHBondContact CB-O 3.26Å; A442-F468 WeakPolarHBondContact O-CZ 3.47Å; A442-T492 HydrophobicContact CB-CG2 4.45Å |
| 443 | W | 93.3 | Very high | 87.2 | Confident | 17 Ų | 17 | 36.5 Ų | 36.5 | 6% | 0.064 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 157.1 | 175.5 | 64.9 | -89.8 | 0 | 0 | 0 | 111.1 | F405 A406 C464 W465 S467 F468 N477 T481 | F405-W443 WeakPolarHBondContact O-CA 3.2Å; F405-W443 WeakPolarHBondContact O-CB 3.47Å; A406-W443 HydrophobicContact CB-CB 4.47Å; W443-C464 WeakPolarHBondContact O-CA 3.43Å; W443-C464 WeakPolarHBondContact O-CB 3.21Å; W443-W465 HydrophobicContact CD2-CB 4.14Å; W443-W465 HydrophobicContact CH2-CB 4.31Å; W443-W465 AromaticContact CH2-CD1 3.65Å; W443-W465 HydrophobicContact CH2-CG 4.06Å; W443-W465 HydrophobicContact CZ2-CB 3.68Å; W443-W465 AromaticContact CZ2-CD1 3.93Å; W443-W465 AromaticContact CZ2-CG 3.87Å; W443-W465 HydrophobicContact CZ2-CG 3.87Å; W443-W465 AromaticContact CZ3-CD1 3.86Å; W443-W465 PolarHBondContact N-O 3.25Å; W443-W465 PolarHBondContact O-N 3.43Å; W443-S467 PolarHBondContact NE1-O 3.48Å; W443-F468 HydrophobicContact CB-CE1 3.79Å; W443-F468 HydrophobicContact CB-CZ 3.86Å; W443-F468 AromaticContact CD1-CD1 3.87Å; W443-F468 AromaticContact CD1-CE1 3.74Å; W443-F468 AromaticContact CD1-CE2 3.99Å; W443-F468 AromaticContact CD1-CZ 3.82Å; W443-F468 HydrophobicContact CG-CE1 4.11Å; W443-F468 HydrophobicContact CG-CZ 4.26Å; W443-N477 HydrophobicContact CD2-CB 4.04Å; W443-N477 VanDerWaalsContact CE2-ND2 3.27Å; W443-N477 HydrophobicContact CE3-CB 4.24Å; W443-N477 HydrophobicContact CG-CB 4.23Å; W443-N477 VanDerWaalsContact CZ2-ND2 3.28Å; W443-N477 WeakPolarHBondContact CZ2-ND2 3.23Å; W443-T481 HydrophobicContact CH2-CG2 4.11Å |
| 444 | V | 95.4 | Very high | 89 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 142.3 | 173.3 | 66.7 | 0 | 0 | 0 | 0 | 110.4 | F405 L462 C464 L494 | F405-V444 HydrophobicContact CB-CG1 4.02Å; F405-V444 HydrophobicContact CD2-CG1 4.24Å; F405-V444 PolarHBondContact N-O 2.87Å; F405-V444 PolarHBondContact O-N 3.28Å; V444-L462 HydrophobicContact CB-CB 4.42Å; V444-L462 HydrophobicContact CG1-CB 3.81Å; V444-L462 HydrophobicContact CG1-CD1 4Å; V444-L462 HydrophobicContact CG2-CB 3.83Å; V444-L462 HydrophobicContact CG2-CD1 4.49Å; V444-C464 HydrophobicContact CB-CB 4.28Å; V444-L494 HydrophobicContact CG1-CD2 4.5Å |
| 445 | N | 95.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 151.8 | 177.6 | -59.3 | -26.5 | 0 | 0 | 0 | 109.9 | L403 C404 N477 G480 I482 | L403-N445 CarbonylContact O-C 3.6Å; L403-N445 WeakPolarHBondContact O-CA 3.41Å; C404-N445 WeakPolarHBondContact CA-OD1 3.39Å; C404-N445 VanDerWaalsContact CB-OD1 3.31Å; C404-N445 WeakPolarHBondContact CB-OD1 3.48Å; C404-N445 VanDerWaalsContact SG-CG 3.6Å; C404-N445 PolarHBondContact SG-OD1 3.01Å; N445-N477 PolarHBondContact ND2-O 3.16Å; N445-G480 PolarHBondContact ND2-O 2.79Å; N445-I482 HydrophobicContact CB-CG2 4.18Å |
| 446 | T | 96.9 | Very high | 92.1 | Very high | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.055 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 147.2 | 169.4 | -164.6 | 0 | 0 | 0 | 0 | 110.3 | L403 K456 L462 F498 | L403-T446 HydrophobicContact CB-CG2 4.22Å; L403-T446 HydrophobicContact CD2-CG2 4.32Å; L403-T446 PolarHBondContact N-O 3.18Å; L403-T446 PolarHBondContact O-N 3.48Å; T446-K456 PolarHBondContact OG1-NZ 2.79Å; T446-L462 HydrophobicContact CG2-CD1 4.02Å; T446-F498 HydrophobicContact CG2-CZ 4.19Å |
| 447 | M | 97.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 142.4 | 171.4 | -60 | -57.7 | -68.8 | 0 | 0 | 110.4 | M400 R402 F449 K456 I482 P653 Y654 | M400-M447 HydrophobicContact CB-CE 4.3Å; M400-M447 WeakPolarHBondContact O-CE 3.38Å; M400-M447 HydrophobicContact SD-CE 4.4Å; R402-M447 HydrophobicContact CG-CE 4.22Å; R402-M447 HydrophobicContact CG-SD 3.45Å; R402-M447 WeakPolarHBondContact CG-SD 3.25Å; M447-F449 WeakPolarHBondContact CB-O 3.36Å; M447-K456 VanDerWaalsContact O-CD 3.28Å; M447-K456 WeakPolarHBondContact O-CD 3.04Å; M447-K456 WeakPolarHBondContact O-CE 3.18Å; M447-K456 PolarHBondContact O-NZ 2.76Å; M447-I482 HydrophobicContact CG-CB 4.49Å; M447-I482 HydrophobicContact CG-CG1 4.41Å; M447-I482 HydrophobicContact CG-CG2 4.3Å; M447-I482 HydrophobicContact SD-CG2 3.94Å; M447-P653 HydrophobicContact CE-CB 3.9Å; M447-P653 HydrophobicContact CE-CG 4.09Å; M447-P653 HydrophobicContact CG-CB 3.76Å; M447-P653 HydrophobicContact SD-CB 3.55Å; M447-P653 VanDerWaalsContact SD-CB 3.55Å; M447-P653 HydrophobicContact SD-CG 4.35Å; M447-Y654 HydrophobicContact CG-CE1 4.31Å |
| 448 | V | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -73.2 | -34 | 174.2 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | F335 L359 L397 T401 L403 L455 K456 | F335-V448 HydrophobicContact CE2-CG1 3.75Å; F335-V448 HydrophobicContact CZ-CG1 4.06Å; F335-V448 HydrophobicContact CZ-CG2 4.07Å; L359-V448 HydrophobicContact CD2-CG2 3.99Å; L397-V448 HydrophobicContact CD1-CG1 4.25Å; T401-V448 HydrophobicContact CG2-CB 4.25Å; T401-V448 HydrophobicContact CG2-CG2 3.71Å; T401-V448 PolarHBondContact O-N 2.99Å; L403-V448 HydrophobicContact CB-CG2 3.94Å; V448-L455 HydrophobicContact CG1-CD1 3.39Å; V448-K456 WeakPolarHBondContact O-CG 3.41Å; V448-K456 PolarHBondContact O-N 3Å |
| 449 | F | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -102.7 | 148.2 | 173.3 | -62.4 | -88.7 | 0 | 0 | 0 | 110.3 | V328 L397 P398 R399 M447 Q454 L455 F508 Y654 | V328-F449 HydrophobicContact CG2-CE1 4.1Å; V328-F449 HydrophobicContact CG2-CZ 3.97Å; L397-F449 HydrophobicContact CB-CE2 4.01Å; L397-F449 HydrophobicContact CB-CZ 4.14Å; P398-F449 VanDerWaalsContact O-CE2 3.23Å; P398-F449 WeakPolarHBondContact O-CE2 3.34Å; R399-F449 VanDerWaalsContact O-CD2 3.28Å; R399-F449 WeakPolarHBondContact O-CD2 3.39Å; M447-F449 WeakPolarHBondContact CB-O 3.36Å; F449-Q454 CarbonylContact C-O 3.57Å; F449-Q454 VanDerWaalsContact CA-O 3.27Å; F449-Q454 WeakPolarHBondContact CA-O 3.43Å; F449-L455 HydrophobicContact CD1-CB 4.27Å; F449-L455 HydrophobicContact CD1-CD1 4.47Å; F449-L455 HydrophobicContact CE1-CB 4.12Å; F449-L455 HydrophobicContact CE1-CD1 4.13Å; F449-L455 HydrophobicContact CZ-CD1 4.29Å; F449-F508 HydrophobicContact CE1-CD2 4.32Å; F449-F508 HydrophobicContact CZ-CD2 4.21Å; F449-Y654 PolarHBondContact O-OH 2.96Å |
| 450 | D | 95.8 | Very high | 94.8 | Very high | 37 Ų | 37 | 32.4 Ų | 32.4 | 20% | 0.198 | 17% | 0.167 | C | C | . | . | trans | -80.7 | -177.4 | 172.3 | 72.7 | 9.2 | 0 | 0 | 0 | 112.3 | R399 K452 G453 Q454 K456 Y654 | R399-D450 VanDerWaalsContact CZ-O 3.28Å; R399-D450 PolarHBondContact NH1-O 3.49Å; R399-D450 PolarHBondContact NH2-O 3.35Å; D450-K452 PolarHBondContact O-N 2.64Å; D450-K452 WeakPolarHBondContact OD1-CA 3.4Å; D450-K452 PolarHBondContact OD1-N 2.67Å; D450-G453 PolarHBondContact O-N 3Å; D450-G453 VanDerWaalsContact O-N 3.09Å; D450-G453 PolarHBondContact OD1-N 2.85Å; D450-Q454 PolarHBondContact N-O 3.28Å; D450-Q454 PolarHBondContact OD1-N 3.38Å; D450-K456 HydrophobicContact CB-CG 4.49Å; D450-Y654 PolarHBondContact O-OH 2.8Å; D450-Y654 VanDerWaalsContact O-OH 3.12Å | ||
| 451 | Y | 95.3 | Very high | 95.3 | Very high | 59 Ų | 59 | 35.2 Ų | 35.2 | 23% | 0.231 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.9 | -180 | 71.7 | -77.4 | 0 | 0 | 0 | 113.8 | Q140 E141 D144 R399 G453 | Q140-Y451 VanDerWaalsContact CG-OH 3.27Å; Q140-Y451 WeakPolarHBondContact CG-OH 3.32Å; E141-Y451 HydrophobicContact CB-CD1 3.71Å; E141-Y451 HydrophobicContact CB-CE1 3.9Å; E141-Y451 HydrophobicContact CB-CG 4.06Å; E141-Y451 HydrophobicContact CG-CD1 3.88Å; E141-Y451 HydrophobicContact CG-CD2 4.09Å; E141-Y451 HydrophobicContact CG-CE1 4.45Å; E141-Y451 HydrophobicContact CG-CG 3.7Å; D144-Y451 HydrophobicContact CB-CE2 4.38Å; D144-Y451 PolarHBondContact OD2-OH 3.49Å; R399-Y451 PolarHBondContact NH2-O 3.48Å; Y451-G453 VanDerWaalsContact C-N 3.32Å |
| 452 | K | 94.3 | Very high | 95.7 | Very high | 119 Ų | 119 | 34.2 Ų | 34.2 | 52% | 0.517 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -0.6 | 175.9 | -74.3 | 175.2 | 168 | 150 | 0 | 112.8 | D144 D450 Q454 | D144-K452 IonicContact OD2-NZ 3.77Å; D144-K452 PolarHBondContact OD2-NZ 3.49Å; D450-K452 PolarHBondContact O-N 2.64Å; D450-K452 WeakPolarHBondContact OD1-CA 3.4Å; D450-K452 PolarHBondContact OD1-N 2.67Å; K452-Q454 VanDerWaalsContact C-N 3.29Å |
| 453 | G | 95.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 76.4 | 17 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R399 D450 Y451 V507 F508 | R399-G453 VanDerWaalsContact CZ-CA 3.46Å; D450-G453 PolarHBondContact O-N 3Å; D450-G453 VanDerWaalsContact O-N 3.09Å; D450-G453 PolarHBondContact OD1-N 2.85Å; Y451-G453 VanDerWaalsContact C-N 3.32Å; G453-V507 WeakPolarHBondContact O-CA 3.37Å; G453-F508 PolarHBondContact O-N 3.12Å |
| 454 | Q | 96.6 | Very high | 95.9 | Very high | 64 Ų | 64 | 35.2 Ų | 35.2 | 30% | 0.299 | 18% | 0.18 | S | C | . | . | B | Isolated β-bridge | trans | -83.8 | 136.1 | 172.9 | -175.9 | -179.8 | -20.7 | 0 | 0 | 109.8 | F449 D450 K452 K456 P505 I506 | F449-Q454 CarbonylContact C-O 3.57Å; F449-Q454 VanDerWaalsContact CA-O 3.27Å; F449-Q454 WeakPolarHBondContact CA-O 3.43Å; D450-Q454 PolarHBondContact N-O 3.28Å; D450-Q454 PolarHBondContact OD1-N 3.38Å; K452-Q454 VanDerWaalsContact C-N 3.29Å; Q454-K456 PolarHBondContact O-N 3.43Å; Q454-P505 HydrophobicContact CG-CB 4.35Å; Q454-I506 CarbonylContact C-O 3.28Å; Q454-I506 WeakPolarHBondContact CA-O 3.47Å |
| 455 | L | 97.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -63.3 | 125.5 | 171.4 | -176.8 | 66.7 | 0 | 0 | 0 | 108.8 | F335 I394 V448 F449 Y501 I506 | F335-L455 HydrophobicContact CE2-CD1 4.46Å; I394-L455 HydrophobicContact CG2-CD2 4.24Å; V448-L455 HydrophobicContact CG1-CD1 3.39Å; F449-L455 HydrophobicContact CD1-CB 4.27Å; F449-L455 HydrophobicContact CD1-CD1 4.47Å; F449-L455 HydrophobicContact CE1-CB 4.12Å; F449-L455 HydrophobicContact CE1-CD1 4.13Å; F449-L455 HydrophobicContact CZ-CD1 4.29Å; L455-Y501 HydrophobicContact CD2-CD2 4.13Å; L455-Y501 HydrophobicContact CD2-CE2 4.4Å; L455-I506 HydrophobicContact CB-CB 4.02Å; L455-I506 HydrophobicContact CB-CG2 4.2Å; L455-I506 HydrophobicContact CD2-CB 4.32Å; L455-I506 HydrophobicContact CD2-CD1 3.98Å; L455-I506 HydrophobicContact CD2-CG2 4.34Å; L455-I506 PolarHBondContact N-O 3.44Å |
| 456 | K | 96.6 | Very high | 95.2 | Very high | 50 Ų | 50 | 41.1 Ų | 41.1 | 22% | 0.217 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 143.6 | 179.2 | -69 | -177.9 | -177.5 | 170.5 | 0 | 110.8 | T446 M447 V448 D450 Q454 I460 F498 | T446-K456 PolarHBondContact OG1-NZ 2.79Å; M447-K456 VanDerWaalsContact O-CD 3.28Å; M447-K456 WeakPolarHBondContact O-CD 3.04Å; M447-K456 WeakPolarHBondContact O-CE 3.18Å; M447-K456 PolarHBondContact O-NZ 2.76Å; V448-K456 WeakPolarHBondContact O-CG 3.41Å; V448-K456 PolarHBondContact O-N 3Å; D450-K456 HydrophobicContact CB-CG 4.49Å; Q454-K456 PolarHBondContact O-N 3.43Å; K456-I460 HydrophobicContact CB-CD1 4.49Å; K456-I460 HydrophobicContact CD-CD1 4.06Å; K456-F498 HydrophobicContact CB-CD1 3.93Å; K456-F498 HydrophobicContact CB-CD2 4.32Å; K456-F498 HydrophobicContact CB-CE1 4.05Å; K456-F498 HydrophobicContact CB-CE2 4.44Å; K456-F498 HydrophobicContact CB-CG 4.08Å; K456-F498 HydrophobicContact CB-CZ 4.31Å; K456-F498 HydrophobicContact CD-CZ 4.46Å; K456-F498 VanDerWaalsContact O-CB 3.24Å; K456-F498 WeakPolarHBondContact O-CB 3.12Å; K456-F498 WeakPolarHBondContact O-CD1 3.35Å |
| 457 | T | 95.4 | Very high | 93.9 | Very high | 65 Ų | 65 | 45.1 Ų | 45.1 | 40% | 0.399 | 24% | 0.244 | S | C | . | . | trans | -138.1 | 157.5 | 176.7 | 57.5 | 0 | 0 | 0 | 0 | 110.2 | E500 | T457-E500 HydrophobicContact CG2-CG 4.32Š| ||
| 458 | G | 95.3 | Very high | 92.4 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 21% | 0.206 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 85.3 | -170.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | H497 F498 | G458-H497 WeakPolarHBondContact O-CA 3.21Å; G458-F498 PolarHBondContact N-O 3.14Å; G458-F498 PolarHBondContact O-N 3.33Å |
| 459 | D | 94.9 | Very high | 90.6 | Very high | 128 Ų | 128 | 49.3 Ų | 49.3 | 68% | 0.684 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 133.1 | -174.4 | -62.5 | -43.1 | 0 | 0 | 0 | 112.3 | H497 | D459-H497 WeakPolarHBondContact OD1-CB 3.37Å; D459-H497 IonicContact OD1-CE1 2.91Å; D459-H497 IonicContact OD1-CG 3.49Å; D459-H497 IonicContact OD1-ND1 3.91Å; D459-H497 PolarHBondContact OD1-ND1 3.37Å |
| 460 | I | 94.9 | Very high | 88.3 | Confident | 45 Ų | 45 | 54.4 Ų | 54.4 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 136.7 | 178.3 | -54.8 | -173.2 | 0 | 0 | 0 | 109.7 | K456 L462 I496 F498 | K456-I460 HydrophobicContact CB-CD1 4.49Å; K456-I460 HydrophobicContact CD-CD1 4.06Å; I460-L462 HydrophobicContact CG2-CD2 3.69Å; I460-L462 HydrophobicContact CG2-CG 4.14Å; I460-I496 HydrophobicContact CB-CG1 4.1Å; I460-I496 PolarHBondContact N-O 3.41Å; I460-I496 PolarHBondContact O-N 2.79Å; I460-F498 HydrophobicContact CD1-CD2 3.67Å; I460-F498 HydrophobicContact CD1-CE2 3.65Å; I460-F498 HydrophobicContact CG1-CD2 4.23Å; I460-F498 HydrophobicContact CG1-CE2 4.46Å |
| 461 | I | 95.7 | Very high | 86.2 | Confident | 89 Ų | 89 | 56.2 Ų | 56.2 | 46% | 0.456 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120 | 172.8 | -51.3 | 177.5 | 0 | 0 | 0 | 108.1 | H463 A493 | I461-H463 VanDerWaalsContact CG2-CE1 3.49Å; I461-H463 WeakPolarHBondContact CG2-CE1 3.32Å; I461-A493 HydrophobicContact CG2-CB 4.11Å |
| 462 | L | 96.2 | Very high | 84.3 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 111.9 | -179.5 | -62.7 | -178.4 | 0 | 0 | 0 | 110.1 | F405 V444 T446 I460 T484 A493 L494 I496 | F405-L462 HydrophobicContact CD2-CD1 4.1Å; F405-L462 HydrophobicContact CE2-CD1 4Å; V444-L462 HydrophobicContact CB-CB 4.42Å; V444-L462 HydrophobicContact CG1-CB 3.81Å; V444-L462 HydrophobicContact CG1-CD1 4Å; V444-L462 HydrophobicContact CG2-CB 3.83Å; V444-L462 HydrophobicContact CG2-CD1 4.49Å; T446-L462 HydrophobicContact CG2-CD1 4.02Å; I460-L462 HydrophobicContact CG2-CD2 3.69Å; I460-L462 HydrophobicContact CG2-CG 4.14Å; L462-T484 HydrophobicContact CD2-CG2 3.79Å; L462-A493 CarbonylContact O-C 3.59Å; L462-A493 WeakPolarHBondContact O-CA 3.43Å; L462-L494 HydrophobicContact CB-CB 4.45Å; L462-L494 PolarHBondContact N-O 2.92Å; L462-L494 PolarHBondContact O-N 3.46Å; L462-I496 HydrophobicContact CD1-CD1 3.54Å; L462-I496 HydrophobicContact CD1-CG1 4.22Å; L462-I496 HydrophobicContact CG-CD1 4.21Å; L462-I496 HydrophobicContact CG-CG1 4.45Å |
| 463 | H | 95.9 | Very high | 82.1 | Confident | 36 Ų | 36 | 56.8 Ų | 56.8 | 17% | 0.167 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 124.7 | 175.1 | -61.5 | -23.2 | 0 | 0 | 0 | 110.7 | I461 N485 T488 A491 A493 | I461-H463 VanDerWaalsContact CG2-CE1 3.49Å; I461-H463 WeakPolarHBondContact CG2-CE1 3.32Å; H463-N485 HydrophobicContact CB-CB 4.04Å; H463-N485 VanDerWaalsContact CB-O 3.29Å; H463-N485 WeakPolarHBondContact CB-O 3.31Å; H463-N485 WeakPolarHBondContact O-CB 3.23Å; H463-N485 PolarHBondContact O-N 3.16Å; H463-T488 WeakPolarHBondContact CD2-CG2 3.41Å; H463-T488 VanDerWaalsContact NE2-CB 3.32Å; H463-T488 WeakPolarHBondContact NE2-CB 3.12Å; H463-T488 VanDerWaalsContact NE2-CG2 3.32Å; H463-T488 WeakPolarHBondContact NE2-CG2 3.27Å; H463-A491 HydrophobicContact CB-CB 4.41Å; H463-A493 VanDerWaalsContact ND1-CB 3.34Å; H463-A493 WeakPolarHBondContact ND1-CB 3.33Å |
| 464 | C | 94.6 | Very high | 80.1 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 3% | 0.027 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 159.2 | -166 | -54.6 | 0 | 0 | 0 | 0 | 113 | A442 W443 V444 N485 T492 | A442-C464 HydrophobicContact CB-CB 3.58Å; W443-C464 WeakPolarHBondContact O-CA 3.43Å; W443-C464 WeakPolarHBondContact O-CB 3.21Å; V444-C464 HydrophobicContact CB-CB 4.28Å; C464-N485 WeakPolarHBondContact O-CB 3.38Å; C464-N485 PolarHBondContact O-ND2 3.31Å; C464-T492 WeakPolarHBondContact CB-O 3.42Å; C464-T492 PolarHBondContact N-O 2.88Å |
| 465 | W | 91.7 | Very high | 78.8 | Confident | 36 Ų | 36 | 62.4 Ų | 62.4 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -100.2 | 136 | 173.3 | -60.1 | 98.7 | 0 | 0 | 0 | 109.8 | A442 W443 T481 Q483 N485 P688 A689 | A442-W465 CarbonylContact C-O 3.59Å; A442-W465 WeakPolarHBondContact CA-O 3.48Å; A442-W465 WeakPolarHBondContact CB-O 3.26Å; W443-W465 HydrophobicContact CD2-CB 4.14Å; W443-W465 HydrophobicContact CH2-CB 4.31Å; W443-W465 AromaticContact CH2-CD1 3.65Å; W443-W465 HydrophobicContact CH2-CG 4.06Å; W443-W465 HydrophobicContact CZ2-CB 3.68Å; W443-W465 AromaticContact CZ2-CD1 3.93Å; W443-W465 AromaticContact CZ2-CG 3.87Å; W443-W465 HydrophobicContact CZ2-CG 3.87Å; W443-W465 AromaticContact CZ3-CD1 3.86Å; W443-W465 PolarHBondContact N-O 3.25Å; W443-W465 PolarHBondContact O-N 3.43Å; W465-T481 HydrophobicContact CZ2-CG2 4Å; W465-Q483 PolarHBondContact NE1-O 3.35Å; W465-N485 HydrophobicContact CD2-CB 4.09Å; W465-N485 HydrophobicContact CE3-CB 4.29Å; W465-N485 HydrophobicContact CH2-CB 4.35Å; W465-N485 HydrophobicContact CZ2-CB 4.16Å; W465-N485 HydrophobicContact CZ3-CB 4.42Å; W465-P688 HydrophobicContact CH2-CB 4.04Å; W465-P688 HydrophobicContact CZ3-CB 4.33Å; W465-A689 HydrophobicContact CH2-CB 3.9Å; W465-A689 HydrophobicContact CZ2-CB 4.09Å |
| 466 | S | 84 | Confident | 78.3 | Confident | 90 Ų | 90 | 62.4 Ų | 62.4 | 63% | 0.629 | 34% | 0.337 | S | S | * | . | trans | -91.7 | -20 | -175.5 | 51.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 467 | S | 69.4 | Low | 77.9 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 66% | 0.657 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -85.7 | 120.3 | -178.6 | -57 | 0 | 0 | 0 | 0 | 110.9 | W443 | W443-S467 PolarHBondContact NE1-O 3.48Š|
| 468 | F | 66.4 | Low | 77.5 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 13% | 0.132 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -100.3 | 139.1 | 170.6 | -71.8 | -100.4 | 0 | 0 | 0 | 109.6 | A406 P440 A442 W443 D470 | A406-F468 HydrophobicContact CB-CE1 4.31Å; P440-F468 HydrophobicContact CB-CD1 3.99Å; P440-F468 HydrophobicContact CB-CD2 3.75Å; P440-F468 HydrophobicContact CB-CE1 3.82Å; P440-F468 HydrophobicContact CB-CE2 3.6Å; P440-F468 HydrophobicContact CB-CG 3.94Å; P440-F468 HydrophobicContact CB-CZ 3.61Å; P440-F468 HydrophobicContact CG-CD2 4.32Å; P440-F468 HydrophobicContact CG-CG 4.39Å; A442-F468 WeakPolarHBondContact O-CZ 3.47Å; W443-F468 HydrophobicContact CB-CE1 3.79Å; W443-F468 HydrophobicContact CB-CZ 3.86Å; W443-F468 AromaticContact CD1-CD1 3.87Å; W443-F468 AromaticContact CD1-CE1 3.74Å; W443-F468 AromaticContact CD1-CE2 3.99Å; W443-F468 AromaticContact CD1-CZ 3.82Å; W443-F468 HydrophobicContact CG-CE1 4.11Å; W443-F468 HydrophobicContact CG-CZ 4.26Å; F468-D470 PolarHBondContact O-N 3.1Å |
| 469 | P | 58.6 | Low | 77.1 | Confident | 61 Ų | 61 | 59.4 Ų | 59.4 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 135.9 | 163.7 | -22.3 | 31.4 | 0 | 0 | 0 | 110.3 | E471 L472 | P469-E471 PolarHBondContact O-N 2.73Å; P469-L472 HydrophobicContact CB-CD1 4.12Å; P469-L472 HydrophobicContact CB-CG 4.22Å; P469-L472 HydrophobicContact CG-CD1 3.78Å; P469-L472 HydrophobicContact CG-CG 4.37Å |
| 470 | D | 49.8 | Very low | 76.7 | Confident | 106 Ų | 106 | 53.8 Ų | 53.8 | 57% | 0.567 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -10.4 | -172.9 | -75.8 | -24.5 | 0 | 0 | 0 | 113.6 | F468 | F468-D470 PolarHBondContact O-N 3.1Š|
| 471 | E | 52.2 | Low | 76.5 | Confident | 76 Ų | 76 | 53 Ų | 53 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 8.4 | -167.3 | -56.4 | -158.9 | 144.8 | 0 | 0 | 117.2 | P469 E473 S1026 | P469-E471 PolarHBondContact O-N 2.73Å; E471-E473 PolarHBondContact O-N 2.96Å; E471-S1026 WeakPolarHBondContact OE2-CB 3.33Å; E471-S1026 PolarHBondContact OE2-OG 2.89Å |
| 472 | L | 54.7 | Low | 76.3 | Confident | 47 Ų | 47 | 49.9 Ų | 49.9 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | trans | -74.9 | 93.5 | -177 | -73.6 | 166.4 | 0 | 0 | 0 | 112.8 | P469 E474 N477 | P469-L472 HydrophobicContact CB-CD1 4.12Å; P469-L472 HydrophobicContact CB-CG 4.22Å; P469-L472 HydrophobicContact CG-CD1 3.78Å; P469-L472 HydrophobicContact CG-CG 4.37Å; L472-E474 PolarHBondContact O-N 3.23Å; L472-N477 HydrophobicContact CD1-CB 3.72Å | ||
| 473 | E | 47.7 | Very low | 76.1 | Confident | 143 Ų | 143 | 51.9 Ų | 51.9 | 67% | 0.668 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -26.8 | 171.5 | -68.8 | -177.7 | -176.6 | 0 | 0 | 112.7 | E471 | E471-E473 PolarHBondContact O-N 2.96Š|
| 474 | E | 53.4 | Low | 75.8 | Confident | 125 Ų | 125 | 52.8 Ų | 52.8 | 58% | 0.584 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 0.4 | -172.1 | -66.9 | -168.3 | 165.3 | 0 | 0 | 116.1 | L472 L476 | L472-E474 PolarHBondContact O-N 3.23Å; E474-L476 PolarHBondContact O-N 3.47Å; E474-L476 VanDerWaalsContact O-N 3.09Å |
| 475 | M | 71.1 | Confident | 75.7 | Confident | 59 Ų | 59 | 53.4 Ų | 53.4 | 29% | 0.291 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 66.8 | 11.8 | 167.8 | -33.9 | 177.1 | -65.5 | 0 | 0 | 115.2 | R356 Y408 I431 | R356-M475 PolarHBondContact NH1-SD 3.32Å; Y408-M475 HydrophobicContact CE2-CB 4.43Å; Y408-M475 WeakPolarHBondContact CE2-O 3.3Å; Y408-M475 VanDerWaalsContact OH-C 3.28Å; Y408-M475 WeakPolarHBondContact OH-CA 3.21Å; Y408-M475 WeakPolarHBondContact OH-CB 3.48Å; Y408-M475 PolarHBondContact OH-O 2.77Å; I431-M475 HydrophobicContact CD1-CB 4.05Å; I431-M475 HydrophobicContact CD1-CG 3.29Å; I431-M475 HydrophobicContact CD1-SD 3.15Å; I431-M475 WeakPolarHBondContact CD1-SD 3.46Å; I431-M475 HydrophobicContact CG1-SD 4.47Å; I431-M475 HydrophobicContact CG2-SD 4.34Å |
| 476 | L | 86.4 | Confident | 75.6 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -140.6 | 157.5 | 170.7 | -72.4 | 169.7 | 0 | 0 | 0 | 108.2 | R356 F360 P369 C404 A406 E474 P478 | R356-L476 HydrophobicContact CB-CD2 4.38Å; F360-L476 HydrophobicContact CE2-CB 4.25Å; F360-L476 HydrophobicContact CE2-CD1 3.73Å; F360-L476 HydrophobicContact CZ-CB 4.24Å; F360-L476 HydrophobicContact CZ-CD1 4.03Å; P369-L476 HydrophobicContact CB-CD1 4.37Å; C404-L476 HydrophobicContact CB-CD2 4.48Å; A406-L476 HydrophobicContact CB-CD2 3.71Å; E474-L476 PolarHBondContact O-N 3.47Å; E474-L476 VanDerWaalsContact O-N 3.09Å; L476-P478 VanDerWaalsContact C-CD 3.49Å; L476-P478 VanDerWaalsContact O-CD 3.25Å; L476-P478 WeakPolarHBondContact O-CD 3.38Å |
| 477 | N | 87.2 | Confident | 75.8 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 6% | 0.059 | 30% | 0.297 | C | S | . | . | trans | -115.5 | 75.8 | -178.8 | -176.5 | 16.5 | 0 | 0 | 0 | 111.8 | W443 N445 L472 I479 G480 | W443-N477 HydrophobicContact CD2-CB 4.04Å; W443-N477 VanDerWaalsContact CE2-ND2 3.27Å; W443-N477 HydrophobicContact CE3-CB 4.24Å; W443-N477 HydrophobicContact CG-CB 4.23Å; W443-N477 VanDerWaalsContact CZ2-ND2 3.28Å; W443-N477 WeakPolarHBondContact CZ2-ND2 3.23Å; N445-N477 PolarHBondContact ND2-O 3.16Å; L472-N477 HydrophobicContact CD1-CB 3.72Å; N477-I479 VanDerWaalsContact C-N 3.31Å; N477-I479 PolarHBondContact O-N 3.41Å; N477-G480 PolarHBondContact O-N 3.28Å; N477-G480 PolarHBondContact OD1-N 3.31Å | ||
| 478 | P | 88.4 | Confident | 76.7 | Confident | 7 Ų | 7 | 55 Ų | 55 | 5% | 0.045 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -28.7 | -174.9 | 26.3 | -34.2 | 0 | 0 | 0 | 114.1 | F360 R402 L476 G480 | F360-P478 HydrophobicContact CB-CB 4.2Å; F360-P478 HydrophobicContact CD1-CB 3.73Å; F360-P478 HydrophobicContact CD1-CG 4.1Å; F360-P478 HydrophobicContact CD2-CB 4.14Å; F360-P478 HydrophobicContact CE1-CB 4.06Å; F360-P478 HydrophobicContact CE1-CG 4Å; F360-P478 HydrophobicContact CE2-CB 4.45Å; F360-P478 HydrophobicContact CG-CB 3.76Å; F360-P478 HydrophobicContact CZ-CB 4.4Å; F360-P478 HydrophobicContact CZ-CG 4.41Å; R402-P478 PolarHBondContact NE-O 3.39Å; L476-P478 VanDerWaalsContact C-CD 3.49Å; L476-P478 VanDerWaalsContact O-CD 3.25Å; L476-P478 WeakPolarHBondContact O-CD 3.38Å; P478-G480 VanDerWaalsContact C-N 3.3Å; P478-G480 PolarHBondContact O-N 3.28Å |
| 479 | I | 86.1 | Confident | 77.6 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 28% | 0.277 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -24.8 | 178.9 | -56.6 | 174.1 | 0 | 0 | 0 | 111.4 | T363 N477 F615 Y651 T1018 | T363-I479 HydrophobicContact CG2-CD1 4.37Å; T363-I479 HydrophobicContact CG2-CG1 4.21Å; N477-I479 VanDerWaalsContact C-N 3.31Å; N477-I479 PolarHBondContact O-N 3.41Å; I479-F615 HydrophobicContact CD1-CD2 4.31Å; I479-F615 HydrophobicContact CD1-CE2 4.31Å; I479-F615 HydrophobicContact CD1-CG 4.43Å; I479-F615 HydrophobicContact CD1-CZ 4.44Å; I479-F615 HydrophobicContact CG1-CD2 4.4Å; I479-F615 HydrophobicContact CG1-CG 4.39Å; I479-F615 HydrophobicContact CG2-CD1 4.5Å; I479-Y651 HydrophobicContact CG2-CE1 3.83Å; I479-T1018 HydrophobicContact CG2-CG2 4.03Å |
| 480 | G | 87.1 | Confident | 78.9 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -59.4 | 152.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R402 N445 N477 P478 | R402-G480 PolarHBondContact NH2-O 2.87Å; N445-G480 PolarHBondContact ND2-O 2.79Å; N477-G480 PolarHBondContact O-N 3.28Å; N477-G480 PolarHBondContact OD1-N 3.31Å; P478-G480 VanDerWaalsContact C-N 3.3Å; P478-G480 PolarHBondContact O-N 3.28Å |
| 481 | T | 89.9 | Confident | 80.9 | Confident | 28 Ų | 28 | 59.9 Ų | 59.9 | 17% | 0.172 | 31% | 0.307 | C | S | . | . | trans | -52.1 | 146.9 | -179.7 | -174.9 | 0 | 0 | 0 | 0 | 113.3 | W443 W465 Q483 A689 | W443-T481 HydrophobicContact CH2-CG2 4.11Å; W465-T481 HydrophobicContact CZ2-CG2 4Å; T481-Q483 VanDerWaalsContact C-N 3.35Å; T481-Q483 WeakPolarHBondContact OG1-CB 3.27Å; T481-Q483 PolarHBondContact OG1-N 2.76Å; T481-A689 HydrophobicContact CG2-CB 4.03Å | ||
| 482 | I | 91.9 | Very high | 82.9 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -86.5 | -9.2 | 169.5 | 59.2 | 87.4 | 0 | 0 | 0 | 112.8 | R402 N445 M447 P653 | R402-I482 HydrophobicContact CG-CG2 4.4Å; N445-I482 HydrophobicContact CB-CG2 4.18Å; M447-I482 HydrophobicContact CG-CB 4.49Å; M447-I482 HydrophobicContact CG-CG1 4.41Å; M447-I482 HydrophobicContact CG-CG2 4.3Å; M447-I482 HydrophobicContact SD-CG2 3.94Å; I482-P653 VanDerWaalsContact CD1-O 3.28Å; I482-P653 WeakPolarHBondContact CD1-O 3.49Å; I482-P653 HydrophobicContact CG1-CB 4.23Å |
| 483 | Q | 90.7 | Very high | 84.9 | Confident | 45 Ų | 45 | 54.8 Ų | 54.8 | 21% | 0.21 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -75 | 128.9 | 177.5 | -61 | -65.6 | -36.7 | 0 | 0 | 108.9 | W465 T481 Y655 | W465-Q483 PolarHBondContact NE1-O 3.35Å; T481-Q483 VanDerWaalsContact C-N 3.35Å; T481-Q483 WeakPolarHBondContact OG1-CB 3.27Å; T481-Q483 PolarHBondContact OG1-N 2.76Å; Q483-Y655 PolarHBondContact NE2-OH 3.37Å; Q483-Y655 PolarHBondContact OE1-OH 3.01Å |
| 484 | T | 91.3 | Very high | 87.2 | Confident | 56 Ų | 56 | 48 Ų | 48 | 34% | 0.344 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 150.9 | 178.4 | 56.2 | 0 | 0 | 0 | 0 | 110.7 | L462 P486 | L462-T484 HydrophobicContact CD2-CG2 3.79Å; T484-P486 WeakPolarHBondContact O-CD 3.33Å |
| 485 | N | 92 | Very high | 89.2 | Confident | 16 Ų | 16 | 43.8 Ų | 43.8 | 9% | 0.086 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 122.3 | 178.3 | -173.8 | -16.4 | 0 | 0 | 0 | 111.2 | H463 C464 W465 Y487 A491 | H463-N485 HydrophobicContact CB-CB 4.04Å; H463-N485 VanDerWaalsContact CB-O 3.29Å; H463-N485 WeakPolarHBondContact CB-O 3.31Å; H463-N485 WeakPolarHBondContact O-CB 3.23Å; H463-N485 PolarHBondContact O-N 3.16Å; C464-N485 WeakPolarHBondContact O-CB 3.38Å; C464-N485 PolarHBondContact O-ND2 3.31Å; W465-N485 HydrophobicContact CD2-CB 4.09Å; W465-N485 HydrophobicContact CE3-CB 4.29Å; W465-N485 HydrophobicContact CH2-CB 4.35Å; W465-N485 HydrophobicContact CZ2-CB 4.16Å; W465-N485 HydrophobicContact CZ3-CB 4.42Å; N485-Y487 PolarHBondContact O-N 2.89Å; N485-Y487 WeakPolarHBondContact OD1-CB 3.41Å; N485-Y487 VanDerWaalsContact OD1-CD2 3.31Å; N485-Y487 WeakPolarHBondContact OD1-CD2 3.47Å; N485-Y487 PolarHBondContact OD1-N 3.09Å; N485-A491 HydrophobicContact CB-CB 4.41Å |
| 486 | P | 88.8 | Confident | 90.4 | Very high | 73 Ų | 73 | 41.1 Ų | 41.1 | 47% | 0.474 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -71.3 | -13.8 | -177.9 | 28.4 | -35 | 0 | 0 | 0 | 113.7 | T484 T488 P688 | T484-P486 WeakPolarHBondContact O-CD 3.33Å; P486-T488 VanDerWaalsContact C-N 3.26Å; P486-T488 WeakPolarHBondContact O-CG2 3.28Å; P486-T488 PolarHBondContact O-N 3.3Å; P486-P688 HydrophobicContact CG-CB 3.68Å |
| 487 | Y | 87.7 | Confident | 90.8 | Very high | 111 Ų | 111 | 43.5 Ų | 43.5 | 44% | 0.435 | 23% | 0.229 | S | C | . | . | trans | -82.4 | 65.4 | 178.7 | -59.9 | -63.9 | 0 | 0 | 0 | 112.5 | P2 N485 E489 N490 A491 P688 | P2-Y487 HydrophobicContact CB-CE1 4.1Å; P2-Y487 HydrophobicContact CG-CE1 4.17Å; N485-Y487 PolarHBondContact O-N 2.89Å; N485-Y487 WeakPolarHBondContact OD1-CB 3.41Å; N485-Y487 VanDerWaalsContact OD1-CD2 3.31Å; N485-Y487 WeakPolarHBondContact OD1-CD2 3.47Å; N485-Y487 PolarHBondContact OD1-N 3.09Å; Y487-E489 VanDerWaalsContact C-N 3.27Å; Y487-E489 PolarHBondContact O-N 3.46Å; Y487-N490 PolarHBondContact O-N 3.01Å; Y487-A491 WeakPolarHBondContact O-CB 3.38Å; Y487-A491 PolarHBondContact O-N 3.3Å; Y487-P688 HydrophobicContact CE2-CB 4.04Å; Y487-P688 HydrophobicContact CE2-CG 3.57Å | ||
| 488 | T | 88.6 | Confident | 91.3 | Very high | 70 Ų | 70 | 43 Ų | 43 | 43% | 0.429 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -31.1 | -171 | 68.7 | 0 | 0 | 0 | 0 | 114.2 | K344 H463 P486 | K344-T488 PolarHBondContact NZ-O 3.43Å; H463-T488 WeakPolarHBondContact CD2-CG2 3.41Å; H463-T488 VanDerWaalsContact NE2-CB 3.32Å; H463-T488 WeakPolarHBondContact NE2-CB 3.12Å; H463-T488 VanDerWaalsContact NE2-CG2 3.32Å; H463-T488 WeakPolarHBondContact NE2-CG2 3.27Å; P486-T488 VanDerWaalsContact C-N 3.26Å; P486-T488 WeakPolarHBondContact O-CG2 3.28Å; P486-T488 PolarHBondContact O-N 3.3Å |
| 489 | E | 86.6 | Confident | 91.5 | Very high | 152 Ų | 152 | 43.1 Ų | 43.1 | 71% | 0.71 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -37.7 | -175.6 | -67.9 | -175.3 | 174.9 | 0 | 0 | 113 | K344 Y487 | K344-E489 WeakPolarHBondContact CE-O 3.48Å; K344-E489 VanDerWaalsContact NZ-C 3.34Å; K344-E489 PolarHBondContact NZ-O 3.46Å; Y487-E489 VanDerWaalsContact C-N 3.27Å; Y487-E489 PolarHBondContact O-N 3.46Å |
| 490 | N | 85.9 | Confident | 91.9 | Very high | 137 Ų | 137 | 47.3 Ų | 47.3 | 73% | 0.733 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116 | -12.4 | -172.2 | -63.5 | -34.9 | 0 | 0 | 0 | 113.7 | Y487 | Y487-N490 PolarHBondContact O-N 3.01Š|
| 491 | A | 91.5 | Very high | 92.1 | Very high | 10 Ų | 10 | 49 Ų | 49 | 8% | 0.083 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -75.7 | 142.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H463 N485 Y487 A493 | H463-A491 HydrophobicContact CB-CB 4.41Å; N485-A491 HydrophobicContact CB-CB 4.41Å; Y487-A491 WeakPolarHBondContact O-CB 3.38Å; Y487-A491 PolarHBondContact O-N 3.3Å; A491-A493 PolarHBondContact O-N 3.21Å |
| 492 | T | 94.1 | Very high | 92.2 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 8% | 0.08 | 25% | 0.25 | C | C | . | . | trans | -56.1 | 135.8 | 164.9 | -60 | 0 | 0 | 0 | 0 | 109.5 | K344 V345 I407 A442 C464 | K344-T492 WeakPolarHBondContact O-CA 3.44Å; K344-T492 WeakPolarHBondContact O-CB 3.21Å; K344-T492 PolarHBondContact O-OG1 3.48Å; V345-T492 HydrophobicContact CB-CG2 4.42Å; V345-T492 HydrophobicContact CG2-CG2 3.79Å; I407-T492 HydrophobicContact CD1-CG2 3.64Å; A442-T492 HydrophobicContact CB-CG2 4.45Å; C464-T492 WeakPolarHBondContact CB-O 3.42Å; C464-T492 PolarHBondContact N-O 2.88Å | ||
| 493 | A | 95.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 138.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G342 S343 I461 L462 H463 A491 | G342-A493 WeakPolarHBondContact CA-O 3.28Å; S343-A493 PolarHBondContact N-O 3.32Å; S343-A493 PolarHBondContact O-N 3.34Å; I461-A493 HydrophobicContact CG2-CB 4.11Å; L462-A493 CarbonylContact O-C 3.59Å; L462-A493 WeakPolarHBondContact O-CA 3.43Å; H463-A493 VanDerWaalsContact ND1-CB 3.34Å; H463-A493 WeakPolarHBondContact ND1-CB 3.33Å; A491-A493 PolarHBondContact O-N 3.21Å |
| 494 | L | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122.7 | 175.8 | -163.3 | 69.6 | 0 | 0 | 0 | 109 | L339 V355 W383 F405 I407 V444 L462 I496 | L339-L494 HydrophobicContact CD1-CD1 3.53Å; L339-L494 HydrophobicContact CD1-CD2 4.24Å; L339-L494 HydrophobicContact CD1-CG 3.89Å; V355-L494 HydrophobicContact CG1-CD2 4.3Å; V355-L494 HydrophobicContact CG2-CD1 4.06Å; W383-L494 HydrophobicContact CZ3-CD1 4.46Å; F405-L494 HydrophobicContact CB-CD2 3.93Å; F405-L494 HydrophobicContact CD1-CD2 3.75Å; F405-L494 HydrophobicContact CD2-CD2 4.04Å; F405-L494 HydrophobicContact CE1-CD2 4.2Å; F405-L494 HydrophobicContact CE2-CD2 4.46Å; F405-L494 HydrophobicContact CG-CD2 3.65Å; I407-L494 HydrophobicContact CD1-CD1 4.35Å; V444-L494 HydrophobicContact CG1-CD2 4.5Å; L462-L494 HydrophobicContact CB-CB 4.45Å; L462-L494 PolarHBondContact N-O 2.92Å; L462-L494 PolarHBondContact O-N 3.46Å; L494-I496 HydrophobicContact CD2-CG2 3.99Å; L494-I496 HydrophobicContact CG-CG2 4.01Å |
| 495 | H | 95.8 | Very high | 92.3 | Very high | 38 Ų | 38 | 55.2 Ų | 55.2 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 120.6 | 174.7 | -67.4 | -118 | 0 | 0 | 0 | 108.5 | V340 K341 | V340-H495 HydrophobicContact CB-CB 4Å; V340-H495 WeakPolarHBondContact CB-O 3.49Å; V340-H495 PolarHBondContact N-O 3.47Å; K341-H495 WeakPolarHBondContact CE-CE1 3.43Å; K341-H495 WeakPolarHBondContact CE-ND1 3.12Å; K341-H495 WeakPolarHBondContact CE-NE2 3.37Å; K341-H495 HydrophobicContact CG-CB 3.68Å; K341-H495 PolarHBondContact N-O 2.85Å; K341-H495 WeakPolarHBondContact O-CB 3.28Å; K341-H495 PolarHBondContact O-N 3.35Å |
| 496 | I | 96.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 158.2 | 179.5 | 64.2 | 170.6 | 0 | 0 | 0 | 110.1 | I337 V338 L339 F405 I460 L462 L494 F498 | I337-I496 HydrophobicContact CG2-CB 4.15Å; I337-I496 HydrophobicContact CG2-CG2 4.45Å; V338-I496 CarbonylContact O-C 3.59Å; V338-I496 VanDerWaalsContact O-CA 3.31Å; V338-I496 WeakPolarHBondContact O-CA 3.43Å; L339-I496 HydrophobicContact CD1-CG2 4.27Å; F405-I496 HydrophobicContact CE2-CD1 3.92Å; F405-I496 HydrophobicContact CE2-CG2 4.4Å; F405-I496 HydrophobicContact CZ-CD1 4.15Å; F405-I496 HydrophobicContact CZ-CG2 4.01Å; I460-I496 HydrophobicContact CB-CG1 4.1Å; I460-I496 PolarHBondContact N-O 3.41Å; I460-I496 PolarHBondContact O-N 2.79Å; L462-I496 HydrophobicContact CD1-CD1 3.54Å; L462-I496 HydrophobicContact CD1-CG1 4.22Å; L462-I496 HydrophobicContact CG-CD1 4.21Å; L462-I496 HydrophobicContact CG-CG1 4.45Å; L494-I496 HydrophobicContact CD2-CG2 3.99Å; L494-I496 HydrophobicContact CG-CG2 4.01Å; I496-F498 HydrophobicContact CD1-CD2 4.28Å; I496-F498 HydrophobicContact CD1-CE2 3.59Å; I496-F498 HydrophobicContact CD1-CZ 4.35Å; I496-F498 HydrophobicContact CG1-CE2 4.36Å |
| 497 | H | 96 | Very high | 92.8 | Very high | 54 Ų | 54 | 52.7 Ų | 52.7 | 25% | 0.25 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 125 | 176.1 | 175.1 | 93.1 | 0 | 0 | 0 | 109.5 | V338 V340 G458 D459 P499 | V338-H497 HydrophobicContact CB-CB 3.95Å; V338-H497 HydrophobicContact CG1-CB 4.21Å; V338-H497 PolarHBondContact N-O 3.32Å; V338-H497 PolarHBondContact O-N 3.18Å; V340-H497 HydrophobicContact CG2-CB 4.05Å; G458-H497 WeakPolarHBondContact O-CA 3.21Å; D459-H497 WeakPolarHBondContact OD1-CB 3.37Å; D459-H497 IonicContact OD1-CE1 2.91Å; D459-H497 IonicContact OD1-CG 3.49Å; D459-H497 IonicContact OD1-ND1 3.91Å; D459-H497 PolarHBondContact OD1-ND1 3.37Å; H497-P499 WeakPolarHBondContact O-CD 3.35Å |
| 498 | F | 96.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 115.3 | 172.6 | -80.2 | -100.7 | 0 | 0 | 0 | 109.6 | F335 I337 L403 T446 K456 G458 I460 I496 | F335-F498 HydrophobicContact CZ-CE1 4.23Å; I337-F498 HydrophobicContact CD1-CB 4.44Å; I337-F498 HydrophobicContact CD1-CD1 3.38Å; I337-F498 HydrophobicContact CD1-CD2 4.08Å; I337-F498 HydrophobicContact CD1-CE1 3.47Å; I337-F498 VanDerWaalsContact CD1-CE1 3.47Å; I337-F498 HydrophobicContact CD1-CE2 4.14Å; I337-F498 HydrophobicContact CD1-CG 3.7Å; I337-F498 HydrophobicContact CD1-CZ 3.85Å; L403-F498 HydrophobicContact CD2-CE1 4.49Å; L403-F498 HydrophobicContact CD2-CZ 4Å; T446-F498 HydrophobicContact CG2-CZ 4.19Å; K456-F498 HydrophobicContact CB-CD1 3.93Å; K456-F498 HydrophobicContact CB-CD2 4.32Å; K456-F498 HydrophobicContact CB-CE1 4.05Å; K456-F498 HydrophobicContact CB-CE2 4.44Å; K456-F498 HydrophobicContact CB-CG 4.08Å; K456-F498 HydrophobicContact CB-CZ 4.31Å; K456-F498 HydrophobicContact CD-CZ 4.46Å; K456-F498 VanDerWaalsContact O-CB 3.24Å; K456-F498 WeakPolarHBondContact O-CB 3.12Å; K456-F498 WeakPolarHBondContact O-CD1 3.35Å; G458-F498 PolarHBondContact N-O 3.14Å; G458-F498 PolarHBondContact O-N 3.33Å; I460-F498 HydrophobicContact CD1-CD2 3.67Å; I460-F498 HydrophobicContact CD1-CE2 3.65Å; I460-F498 HydrophobicContact CG1-CD2 4.23Å; I460-F498 HydrophobicContact CG1-CE2 4.46Å; I496-F498 HydrophobicContact CD1-CD2 4.28Å; I496-F498 HydrophobicContact CD1-CE2 3.59Å; I496-F498 HydrophobicContact CD1-CZ 4.35Å; I496-F498 HydrophobicContact CG1-CE2 4.36Å |
| 499 | P | 94.3 | Very high | 93.5 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | trans | -67.1 | 151.4 | -177.3 | -24.6 | 38.7 | 0 | 0 | 0 | 113.2 | R336 V338 H497 Y501 | R336-P499 HydrophobicContact CG-CG 4.13Å; R336-P499 WeakPolarHBondContact O-CD 3.42Å; V338-P499 HydrophobicContact CG2-CG 4.19Å; H497-P499 WeakPolarHBondContact O-CD 3.35Å; P499-Y501 HydrophobicContact CB-CE2 4.23Å; P499-Y501 VanDerWaalsContact O-CD2 3.29Å; P499-Y501 WeakPolarHBondContact O-CD2 3.45Å; P499-Y501 VanDerWaalsContact O-CE2 3.23Å; P499-Y501 WeakPolarHBondContact O-CE2 3.48Å | ||
| 500 | E | 93.4 | Very high | 93.7 | Very high | 142 Ų | 142 | 41.7 Ų | 41.7 | 66% | 0.664 | 23% | 0.225 | S | C | * | . | trans | -85.4 | 127.3 | 170.4 | -65.5 | 178.6 | -175 | 0 | 0 | 110.3 | T457 | T457-E500 HydrophobicContact CG2-CG 4.32Š| ||
| 501 | Y | 92.7 | Very high | 94 | Very high | 47 Ų | 47 | 37.4 Ų | 37.4 | 18% | 0.184 | 20% | 0.2 | C | C | . | . | trans | -108.2 | -10.2 | 178.8 | -58.6 | -87.9 | 0 | 0 | 0 | 113.1 | R336 I394 L455 P499 | R336-Y501 HydrophobicContact CG-CE1 4.26Å; R336-Y501 WeakPolarHBondContact CG-OH 3.25Å; R336-Y501 PolarHBondContact N-OH 2.92Å; R336-Y501 PolarHBondContact O-OH 3.26Å; I394-Y501 HydrophobicContact CD1-CD1 3.35Å; I394-Y501 HydrophobicContact CD1-CD2 3.48Å; I394-Y501 VanDerWaalsContact CD1-CD2 3.48Å; I394-Y501 HydrophobicContact CD1-CE1 3.43Å; I394-Y501 VanDerWaalsContact CD1-CE1 3.43Å; I394-Y501 HydrophobicContact CD1-CE2 3.56Å; I394-Y501 HydrophobicContact CD1-CG 3.37Å; L455-Y501 HydrophobicContact CD2-CD2 4.13Å; L455-Y501 HydrophobicContact CD2-CE2 4.4Å; P499-Y501 HydrophobicContact CB-CE2 4.23Å; P499-Y501 VanDerWaalsContact O-CD2 3.29Å; P499-Y501 WeakPolarHBondContact O-CD2 3.45Å; P499-Y501 VanDerWaalsContact O-CE2 3.23Å; P499-Y501 WeakPolarHBondContact O-CE2 3.48Å | ||
| 502 | S | 91.4 | Very high | 94 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 18% | 0.175 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -150.4 | 145.7 | -175.4 | 160.1 | 0 | 0 | 0 | 0 | 108.8 | T326 F504 | T326-S502 PolarHBondContact OG1-OG 3.12Å; S502-F504 WeakPolarHBondContact CB-O 3.31Å; S502-F504 PolarHBondContact O-N 3.35Å; S502-F504 PolarHBondContact OG-N 2.82Å; S502-F504 PolarHBondContact OG-O 2.82Å |
| 503 | P | 89.5 | Confident | 93.9 | Very high | 121 Ų | 121 | 46.6 Ų | 46.6 | 79% | 0.786 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -67.8 | -15.2 | 173.3 | 29.9 | -35.6 | 0 | 0 | 0 | 112.7 | ||
| 504 | F | 92.3 | Very high | 93.8 | Very high | 92 Ų | 92 | 46.6 Ų | 46.6 | 40% | 0.404 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -110.2 | 150 | 176.7 | -60.7 | -62.2 | 0 | 0 | 0 | 111.2 | V324 S502 I506 | V324-F504 HydrophobicContact CB-CD1 3.79Å; V324-F504 HydrophobicContact CB-CD2 4.23Å; V324-F504 HydrophobicContact CB-CE1 3.72Å; V324-F504 HydrophobicContact CB-CE2 4.16Å; V324-F504 HydrophobicContact CB-CG 4.06Å; V324-F504 HydrophobicContact CB-CZ 3.91Å; V324-F504 HydrophobicContact CG1-CD1 4.19Å; V324-F504 HydrophobicContact CG1-CD2 3.7Å; V324-F504 HydrophobicContact CG1-CE1 4.19Å; V324-F504 HydrophobicContact CG1-CE2 3.69Å; V324-F504 HydrophobicContact CG1-CG 3.96Å; V324-F504 HydrophobicContact CG1-CZ 3.95Å; V324-F504 HydrophobicContact CG2-CE1 4.45Å; V324-F504 HydrophobicContact CG2-CZ 4.48Å; V324-F504 WeakPolarHBondContact O-CB 3.18Å; V324-F504 WeakPolarHBondContact O-CD1 3.38Å; V324-F504 VanDerWaalsContact O-CG 3.32Å; V324-F504 WeakPolarHBondContact O-CG 3.47Å; S502-F504 WeakPolarHBondContact CB-O 3.31Å; S502-F504 PolarHBondContact O-N 3.35Å; S502-F504 PolarHBondContact OG-N 2.82Å; S502-F504 PolarHBondContact OG-O 2.82Å; F504-I506 PolarHBondContact O-N 3.2Å |
| 505 | P | 93.4 | Very high | 93.7 | Very high | 43 Ų | 43 | 49.4 Ų | 49.4 | 28% | 0.279 | 26% | 0.257 | S | S | . | . | trans | -51.8 | 132.1 | 173.1 | -27.6 | 36.1 | 0 | 0 | 0 | 112.2 | T326 Q454 | T326-P505 PolarHBondContact N-O 3.38Å; Q454-P505 HydrophobicContact CG-CB 4.35Å | ||
| 506 | I | 96.4 | Very high | 93.6 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 5% | 0.046 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.8 | 174.8 | -62.9 | 164.5 | 0 | 0 | 0 | 108.2 | T326 V328 V331 Q454 L455 F504 | T326-I506 HydrophobicContact CG2-CG1 4.4Å; T326-I506 VanDerWaalsContact O-CA 3.31Å; T326-I506 WeakPolarHBondContact O-CA 3.46Å; V328-I506 HydrophobicContact CB-CG2 3.9Å; V328-I506 HydrophobicContact CG2-CG2 3.99Å; V331-I506 HydrophobicContact CG2-CD1 3.96Å; V331-I506 HydrophobicContact CG2-CG1 4.26Å; V331-I506 HydrophobicContact CG2-CG2 4.45Å; Q454-I506 CarbonylContact C-O 3.28Å; Q454-I506 WeakPolarHBondContact CA-O 3.47Å; L455-I506 HydrophobicContact CB-CB 4.02Å; L455-I506 HydrophobicContact CB-CG2 4.2Å; L455-I506 HydrophobicContact CD2-CB 4.32Å; L455-I506 HydrophobicContact CD2-CD1 3.98Å; L455-I506 HydrophobicContact CD2-CG2 4.34Å; L455-I506 PolarHBondContact N-O 3.44Å; F504-I506 PolarHBondContact O-N 3.2Å |
| 507 | V | 96.1 | Very high | 93.5 | Very high | 27 Ų | 27 | 55.4 Ų | 55.4 | 16% | 0.164 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 141.8 | -176.6 | -170.7 | 0 | 0 | 0 | 0 | 109.8 | Q325 T326 V328 G453 | Q325-V507 HydrophobicContact CB-CG2 4.41Å; Q325-V507 HydrophobicContact CG-CG2 4.2Å; T326-V507 PolarHBondContact O-N 2.91Å; V328-V507 PolarHBondContact N-O 3.25Å; G453-V507 WeakPolarHBondContact O-CA 3.37Å |
| 508 | F | 95.9 | Very high | 93.4 | Very high | 25 Ų | 25 | 53.2 Ų | 53.2 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 140.7 | 171.6 | -160.8 | -93.8 | 0 | 0 | 0 | 110.2 | V328 R399 F449 G453 I514 | V328-F508 HydrophobicContact CG1-CD2 4.03Å; V328-F508 HydrophobicContact CG1-CE2 4.42Å; R399-F508 HydrophobicContact CB-CD1 3.93Å; R399-F508 HydrophobicContact CB-CD2 3.82Å; R399-F508 HydrophobicContact CB-CE1 3.8Å; R399-F508 HydrophobicContact CB-CE2 3.71Å; R399-F508 HydrophobicContact CB-CG 3.95Å; R399-F508 HydrophobicContact CB-CZ 3.69Å; R399-F508 HydrophobicContact CG-CD1 4.28Å; R399-F508 HydrophobicContact CG-CG 4.31Å; F449-F508 HydrophobicContact CE1-CD2 4.32Å; F449-F508 HydrophobicContact CZ-CD2 4.21Å; G453-F508 PolarHBondContact O-N 3.12Å; F508-I514 HydrophobicContact CE1-CD1 3.92Å |
| 509 | P | 94.1 | Very high | 93.2 | Very high | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 139.1 | -176.6 | 23.1 | -37 | 0 | 0 | 0 | 111.9 | W329 K513 I514 | W329-P509 HydrophobicContact CD2-CB 4.41Å; W329-P509 HydrophobicContact CD2-CG 3.85Å; W329-P509 HydrophobicContact CE3-CB 4.23Å; W329-P509 HydrophobicContact CE3-CG 4.1Å; W329-P509 HydrophobicContact CH2-CG 3.99Å; W329-P509 HydrophobicContact CZ2-CG 3.7Å; W329-P509 HydrophobicContact CZ3-CB 4.26Å; W329-P509 HydrophobicContact CZ3-CG 4.14Å; P509-K513 HydrophobicContact CB-CB 4.15Å; P509-I514 HydrophobicContact CB-CG1 4.04Å; P509-I514 HydrophobicContact CG-CD1 4.25Å; P509-I514 HydrophobicContact CG-CG1 3.84Å |
| 510 | P | 91.9 | Very high | 93.2 | Very high | 74 Ų | 74 | 60.2 Ų | 60.2 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 156.2 | 167.5 | 30.1 | -35.5 | 0 | 0 | 0 | 110 | D512 K513 I514 | P510-D512 VanDerWaalsContact C-N 3.28Å; P510-D512 PolarHBondContact O-N 3.38Å; P510-K513 HydrophobicContact CG-CB 4.26Å; P510-K513 HydrophobicContact CG-CD 4.23Å; P510-K513 HydrophobicContact CG-CG 3.99Å; P510-K513 PolarHBondContact O-N 3.36Å; P510-I514 PolarHBondContact O-N 3.39Å |
| 511 | F | 90.8 | Very high | 93.1 | Very high | 47 Ų | 47 | 55 Ų | 55 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.1 | -40.3 | -173.5 | -168 | -114.2 | 0 | 0 | 0 | 113.9 | K513 I514 L515 Q595 Q599 Y621 | F511-K513 VanDerWaalsContact C-N 3.31Å; F511-K513 PolarHBondContact O-N 3.09Å; F511-I514 WeakPolarHBondContact O-CA 3.29Å; F511-I514 WeakPolarHBondContact O-CB 3.47Å; F511-I514 PolarHBondContact O-N 2.97Å; F511-L515 HydrophobicContact CD1-CD1 4.05Å; F511-L515 HydrophobicContact CD1-CG 4.35Å; F511-L515 HydrophobicContact CE1-CD1 3.65Å; F511-L515 HydrophobicContact CE1-CD2 4.24Å; F511-L515 HydrophobicContact CE1-CG 4.01Å; F511-L515 HydrophobicContact CZ-CD1 4.27Å; F511-L515 HydrophobicContact CZ-CD2 4.01Å; F511-L515 HydrophobicContact CZ-CG 4.21Å; F511-L515 PolarHBondContact O-N 2.98Å; F511-L515 VanDerWaalsContact O-N 3.08Å; F511-Q595 HydrophobicContact CE2-CB 4.4Å; F511-Q599 HydrophobicContact CE1-CG 4.11Å; F511-Q599 VanDerWaalsContact CZ-CD 3.48Å; F511-Q599 HydrophobicContact CZ-CG 3.59Å; F511-Y621 HydrophobicContact CD2-CD1 4.15Å; F511-Y621 AromaticContact CD2-CE1 3.57Å; F511-Y621 HydrophobicContact CD2-CE1 3.57Å; F511-Y621 HydrophobicContact CD2-CE2 4.12Å; F511-Y621 AromaticContact CD2-CZ 3.54Å; F511-Y621 HydrophobicContact CE2-CD1 4.17Å; F511-Y621 HydrophobicContact CE2-CE1 4.05Å; F511-Y621 HydrophobicContact CE2-CG 4.46Å; F511-Y621 HydrophobicContact CG-CE1 4.26Å |
| 512 | D | 92 | Very high | 92.7 | Very high | 116 Ų | 116 | 55 Ų | 55 | 62% | 0.62 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -58.6 | -40.7 | 178.3 | -60.4 | -33.9 | 0 | 0 | 0 | 112.5 | P510 I514 L515 E516 | P510-D512 VanDerWaalsContact C-N 3.28Å; P510-D512 PolarHBondContact O-N 3.38Å; D512-I514 VanDerWaalsContact C-N 3.29Å; D512-I514 PolarHBondContact O-N 2.94Å; D512-L515 PolarHBondContact O-N 3.4Å; D512-E516 WeakPolarHBondContact O-CG 3.37Å; D512-E516 PolarHBondContact O-N 2.75Å |
| 513 | K | 92.7 | Very high | 92.5 | Very high | 99 Ų | 99 | 63 Ų | 63 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.8 | -31.6 | 176.5 | -75.8 | -163.9 | 177.3 | -172.7 | 0 | 112.3 | P509 P510 F511 E516 K517 | P509-K513 HydrophobicContact CB-CB 4.15Å; P510-K513 HydrophobicContact CG-CB 4.26Å; P510-K513 HydrophobicContact CG-CD 4.23Å; P510-K513 HydrophobicContact CG-CG 3.99Å; P510-K513 PolarHBondContact O-N 3.36Å; F511-K513 VanDerWaalsContact C-N 3.31Å; F511-K513 PolarHBondContact O-N 3.09Å; K513-E516 PolarHBondContact O-N 2.96Å; K513-K517 WeakPolarHBondContact O-CB 3.49Å; K513-K517 PolarHBondContact O-N 2.6Å |
| 514 | I | 93.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 175.4 | -57.8 | 176.1 | 0 | 0 | 0 | 109.8 | W329 F508 P509 P510 F511 D512 K517 A518 A592 Q595 Y621 | W329-I514 HydrophobicContact CH2-CB 4.09Å; W329-I514 HydrophobicContact CH2-CG1 3.81Å; W329-I514 HydrophobicContact CH2-CG2 4.17Å; W329-I514 HydrophobicContact CZ2-CG1 4.3Å; F508-I514 HydrophobicContact CE1-CD1 3.92Å; P509-I514 HydrophobicContact CB-CG1 4.04Å; P509-I514 HydrophobicContact CG-CD1 4.25Å; P509-I514 HydrophobicContact CG-CG1 3.84Å; P510-I514 PolarHBondContact O-N 3.39Å; F511-I514 WeakPolarHBondContact O-CA 3.29Å; F511-I514 WeakPolarHBondContact O-CB 3.47Å; F511-I514 PolarHBondContact O-N 2.97Å; D512-I514 VanDerWaalsContact C-N 3.29Å; D512-I514 PolarHBondContact O-N 2.94Å; I514-K517 PolarHBondContact O-N 2.73Å; I514-A518 PolarHBondContact O-N 3.29Å; I514-A592 HydrophobicContact CG2-CB 4.1Å; I514-Q595 HydrophobicContact CG2-CB 3.83Å; I514-Q595 HydrophobicContact CG2-CG 4.1Å; I514-Y621 HydrophobicContact CD1-CE2 4.17Å |
| 515 | L | 93.5 | Very high | 90.9 | Very high | 58 Ų | 58 | 58.5 Ų | 58.5 | 30% | 0.304 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 176.4 | -63.1 | -177.1 | 0 | 0 | 0 | 112.6 | F511 D512 K517 A518 A519 A596 | F511-L515 HydrophobicContact CD1-CD1 4.05Å; F511-L515 HydrophobicContact CD1-CG 4.35Å; F511-L515 HydrophobicContact CE1-CD1 3.65Å; F511-L515 HydrophobicContact CE1-CD2 4.24Å; F511-L515 HydrophobicContact CE1-CG 4.01Å; F511-L515 HydrophobicContact CZ-CD1 4.27Å; F511-L515 HydrophobicContact CZ-CD2 4.01Å; F511-L515 HydrophobicContact CZ-CG 4.21Å; F511-L515 PolarHBondContact O-N 2.98Å; F511-L515 VanDerWaalsContact O-N 3.08Å; D512-L515 PolarHBondContact O-N 3.4Å; L515-K517 VanDerWaalsContact C-N 3.34Å; L515-K517 PolarHBondContact O-N 2.8Å; L515-A518 PolarHBondContact O-N 3.47Å; L515-A519 WeakPolarHBondContact O-CB 3.16Å; L515-A519 PolarHBondContact O-N 2.95Å; L515-A596 HydrophobicContact CD2-CB 4.02Å |
| 516 | E | 93.9 | Very high | 89.1 | Confident | 116 Ų | 116 | 63 Ų | 63 | 54% | 0.542 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 174.4 | -75.8 | 175.8 | -178.2 | 0 | 0 | 111.8 | D512 K513 A519 Q520 | D512-E516 WeakPolarHBondContact O-CG 3.37Å; D512-E516 PolarHBondContact O-N 2.75Å; K513-E516 PolarHBondContact O-N 2.96Å; E516-A519 PolarHBondContact O-N 2.82Å; E516-Q520 VanDerWaalsContact O-CG 3.29Å; E516-Q520 WeakPolarHBondContact O-CG 3.36Å; E516-Q520 PolarHBondContact O-N 2.95Å |
| 517 | K | 93.6 | Very high | 86.8 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 22% | 0.217 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 176.7 | 179.7 | 72.7 | -176.7 | -161.5 | 0 | 111.5 | W329 K513 I514 L515 A519 Q520 I521 H588 D589 A592 | W329-K517 HydrophobicContact CE3-CB 4.45Å; W329-K517 HydrophobicContact CE3-CG 4.41Å; W329-K517 HydrophobicContact CH2-CB 4.04Å; W329-K517 HydrophobicContact CH2-CG 4.12Å; W329-K517 HydrophobicContact CZ3-CB 3.55Å; W329-K517 HydrophobicContact CZ3-CG 3.78Å; K513-K517 WeakPolarHBondContact O-CB 3.49Å; K513-K517 PolarHBondContact O-N 2.6Å; I514-K517 PolarHBondContact O-N 2.73Å; L515-K517 VanDerWaalsContact C-N 3.34Å; L515-K517 PolarHBondContact O-N 2.8Å; K517-A519 VanDerWaalsContact C-N 3.32Å; K517-A519 PolarHBondContact O-N 3.49Å; K517-Q520 WeakPolarHBondContact O-CB 3.13Å; K517-Q520 PolarHBondContact O-N 3.38Å; K517-I521 HydrophobicContact CG-CD1 4.25Å; K517-I521 WeakPolarHBondContact O-CG1 3.41Å; K517-I521 PolarHBondContact O-N 3.08Å; K517-H588 PolarHBondContact NZ-NE2 3.09Å; K517-D589 WeakPolarHBondContact CE-OD1 3.5Å; K517-D589 IonicContact NZ-OD1 2.85Å; K517-D589 PolarHBondContact NZ-OD1 2.98Å; K517-A592 HydrophobicContact CB-CB 4.23Å; K517-A592 HydrophobicContact CG-CB 3.97Å |
| 518 | A | 93.8 | Very high | 84.3 | Confident | 8 Ų | 8 | 73 Ų | 73 | 7% | 0.066 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I514 L515 I521 A522 A592 A596 | I514-A518 PolarHBondContact O-N 3.29Å; L515-A518 PolarHBondContact O-N 3.47Å; A518-I521 PolarHBondContact O-N 3.34Å; A518-A522 PolarHBondContact O-N 2.88Å; A518-A592 HydrophobicContact CB-CB 4.23Å; A518-A592 WeakPolarHBondContact CB-O 3.33Å; A518-A596 HydrophobicContact CB-CB 3.65Å |
| 519 | A | 92.1 | Very high | 81.8 | Confident | 40 Ų | 40 | 78 Ų | 78 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.3 | -36.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L515 E516 K517 A522 R523 | L515-A519 WeakPolarHBondContact O-CB 3.16Å; L515-A519 PolarHBondContact O-N 2.95Å; E516-A519 PolarHBondContact O-N 2.82Å; K517-A519 VanDerWaalsContact C-N 3.32Å; K517-A519 PolarHBondContact O-N 3.49Å; A519-A522 PolarHBondContact O-N 3.1Å; A519-R523 VanDerWaalsContact O-CG 3.28Å; A519-R523 WeakPolarHBondContact O-CG 3.41Å; A519-R523 PolarHBondContact O-N 3.06Å |
| 520 | Q | 92.8 | Very high | 79.8 | Confident | 117 Ų | 117 | 84.9 Ų | 84.9 | 55% | 0.547 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 173.5 | -72.7 | 170.1 | 14.7 | 0 | 0 | 111.5 | E516 K517 R523 A524 | E516-Q520 VanDerWaalsContact O-CG 3.29Å; E516-Q520 WeakPolarHBondContact O-CG 3.36Å; E516-Q520 PolarHBondContact O-N 2.95Å; K517-Q520 WeakPolarHBondContact O-CB 3.13Å; K517-Q520 PolarHBondContact O-N 3.38Å; Q520-R523 PolarHBondContact O-N 2.59Å; Q520-A524 PolarHBondContact O-N 2.85Å; Q520-A524 VanDerWaalsContact O-N 3.1Å |
| 521 | I | 91.3 | Very high | 77.8 | Confident | 33 Ų | 33 | 84.2 Ų | 84.2 | 17% | 0.169 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 176.9 | -64.3 | 162.3 | 0 | 0 | 0 | 110.3 | K517 A518 R523 A524 S525 D589 Q593 | K517-I521 HydrophobicContact CG-CD1 4.25Å; K517-I521 WeakPolarHBondContact O-CG1 3.41Å; K517-I521 PolarHBondContact O-N 3.08Å; A518-I521 PolarHBondContact O-N 3.34Å; I521-R523 VanDerWaalsContact C-N 3.35Å; I521-R523 PolarHBondContact O-N 2.86Å; I521-A524 WeakPolarHBondContact O-CB 3.27Å; I521-A524 PolarHBondContact O-N 2.79Å; I521-A524 VanDerWaalsContact O-N 3.11Å; I521-S525 PolarHBondContact O-N 3.4Å; I521-S525 PolarHBondContact O-OG 3.29Å; I521-D589 HydrophobicContact CD1-CB 3.74Å; I521-Q593 HydrophobicContact CD1-CG 4.28Å; I521-Q593 HydrophobicContact CG2-CG 4.19Å |
| 522 | A | 85.6 | Confident | 75.8 | Confident | 46 Ų | 46 | 94 Ų | 94 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A518 A519 A524 S525 D526 | A518-A522 PolarHBondContact O-N 2.88Å; A519-A522 PolarHBondContact O-N 3.1Å; A522-A524 VanDerWaalsContact C-N 3.31Å; A522-A524 PolarHBondContact O-N 3.09Å; A522-S525 WeakPolarHBondContact CA-OG 3.34Å; A522-S525 PolarHBondContact O-N 3.14Å; A522-S525 VanDerWaalsContact O-N 3.16Å; A522-S525 PolarHBondContact O-OG 3.49Å; A522-D526 PolarHBondContact O-N 3.29Å |
| 523 | R | 85.9 | Confident | 73.9 | Confident | 194 Ų | 194 | 90.6 Ų | 90.6 | 73% | 0.732 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.6 | -34.4 | 176.3 | -72.4 | 173.9 | -172.6 | 168.8 | 4.8 | 113 | A519 Q520 I521 | A519-R523 VanDerWaalsContact O-CG 3.28Å; A519-R523 WeakPolarHBondContact O-CG 3.41Å; A519-R523 PolarHBondContact O-N 3.06Å; Q520-R523 PolarHBondContact O-N 2.59Å; I521-R523 VanDerWaalsContact C-N 3.35Å; I521-R523 PolarHBondContact O-N 2.86Å |
| 524 | A | 81.4 | Confident | 72.2 | Confident | 69 Ų | 69 | 86.9 Ų | 86.9 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.6 | -38 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q520 I521 A522 S527 | Q520-A524 PolarHBondContact O-N 2.85Å; Q520-A524 VanDerWaalsContact O-N 3.1Å; I521-A524 WeakPolarHBondContact O-CB 3.27Å; I521-A524 PolarHBondContact O-N 2.79Å; I521-A524 VanDerWaalsContact O-N 3.11Å; A522-A524 VanDerWaalsContact C-N 3.31Å; A522-A524 PolarHBondContact O-N 3.09Å; A524-S527 PolarHBondContact O-OG 3.46Å |
| 525 | S | 67.3 | Low | 70.8 | Confident | 49 Ų | 49 | 96.5 Ų | 96.5 | 34% | 0.343 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75.4 | -26.1 | -179.6 | 55.4 | 0 | 0 | 0 | 0 | 115 | I521 A522 S527 M528 | I521-S525 PolarHBondContact O-N 3.4Å; I521-S525 PolarHBondContact O-OG 3.29Å; A522-S525 WeakPolarHBondContact CA-OG 3.34Å; A522-S525 PolarHBondContact O-N 3.14Å; A522-S525 VanDerWaalsContact O-N 3.16Å; A522-S525 PolarHBondContact O-OG 3.49Å; S525-S527 PolarHBondContact O-N 2.85Å; S525-M528 PolarHBondContact O-N 2.81Å; S525-M528 VanDerWaalsContact O-O 3.12Å |
| 526 | D | 55.4 | Low | 69.7 | Low | 137 Ų | 137 | 102.1 Ų | 102.1 | 73% | 0.733 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -8.8 | 176.9 | -82.5 | -22.5 | 0 | 0 | 0 | 113.8 | A522 M528 | A522-D526 PolarHBondContact O-N 3.29Å; D526-M528 VanDerWaalsContact C-N 3.27Å |
| 527 | S | 48.4 | Very low | 68.8 | Low | 105 Ų | 105 | 100.3 Ų | 100.3 | 73% | 0.734 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -9.3 | 169.3 | 65.6 | 0 | 0 | 0 | 0 | 113.9 | A524 S525 | A524-S527 PolarHBondContact O-OG 3.46Å; S525-S527 PolarHBondContact O-N 2.85Å |
| 528 | M | 44.3 | Very low | 68 | Low | 142 Ų | 142 | 101.4 Ų | 101.4 | 70% | 0.7 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -125.3 | 115.6 | 173.9 | -64.5 | -156.5 | 72.7 | 0 | 0 | 110.1 | S525 D526 I530 | S525-M528 PolarHBondContact O-N 2.81Å; S525-M528 VanDerWaalsContact O-O 3.12Å; D526-M528 VanDerWaalsContact C-N 3.27Å; M528-I530 PolarHBondContact O-N 2.76Å |
| 529 | S | 43.9 | Very low | 67.5 | Low | 129 Ų | 129 | 106.6 Ų | 106.6 | 90% | 0.902 | 58% | 0.576 | S | S | * | * | trans | -59.8 | 97.1 | -178.3 | 57.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 530 | I | 51.3 | Low | 67.2 | Low | 150 Ų | 150 | 109.2 Ų | 109.2 | 77% | 0.769 | 58% | 0.581 | S | S | * | * | trans | -101.7 | 101.8 | 170.7 | -61.1 | 169.3 | 0 | 0 | 0 | 107.7 | M528 | M528-I530 PolarHBondContact O-N 2.76Š| ||
| 531 | G | 49.1 | Very low | 66.8 | Low | 60 Ų | 60 | 103.7 Ų | 103.7 | 62% | 0.619 | 56% | 0.555 | S | S | * | * | trans | 166.7 | 72.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 532 | R | 48.7 | Very low | 66.6 | Low | 253 Ų | 253 | 106.6 Ų | 106.6 | 96% | 0.955 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -176.9 | 8.9 | 165.5 | -103.1 | 164 | -142.1 | -146.9 | 8.3 | 114.8 | ||
| 533 | G | 52.8 | Low | 66.6 | Low | 43 Ų | 43 | 109.9 Ų | 109.9 | 44% | 0.443 | 57% | 0.574 | S | S | . | * | trans | -87 | -21.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K535 K536 | G533-K535 VanDerWaalsContact C-N 3.32Å; G533-K535 PolarHBondContact O-N 2.66Å; G533-K535 VanDerWaalsContact O-N 3.14Å; G533-K536 PolarHBondContact O-N 3.04Å | ||
| 534 | G | 57.7 | Low | 66.7 | Low | 22 Ų | 22 | 100.8 Ų | 100.8 | 23% | 0.227 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -56 | -36 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K536 F537 H538 D567 | G534-K536 VanDerWaalsContact C-N 3.29Å; G534-K536 PolarHBondContact O-N 3.3Å; G534-F537 PolarHBondContact O-N 2.71Å; G534-H538 WeakPolarHBondContact O-CB 3.31Å; G534-H538 PolarHBondContact O-N 3.05Å; G534-H538 VanDerWaalsContact O-N 3.07Å; G534-D567 WeakPolarHBondContact CA-OD2 3.32Å |
| 535 | K | 63.5 | Low | 66.9 | Low | 206 Ų | 206 | 98.3 Ų | 98.3 | 90% | 0.896 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.7 | -26.9 | -179.9 | -67.8 | -171 | 179.5 | -175.2 | 0 | 114.2 | G533 | G533-K535 VanDerWaalsContact C-N 3.32Å; G533-K535 PolarHBondContact O-N 2.66Å; G533-K535 VanDerWaalsContact O-N 3.14Å |
| 536 | K | 70.2 | Confident | 67.6 | Low | 176 Ų | 176 | 102.4 Ų | 102.4 | 77% | 0.765 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -80.9 | -33.6 | -175.9 | -169.8 | -179.8 | 177.9 | -174.1 | 0 | 112.3 | G533 G534 | G533-K536 PolarHBondContact O-N 3.04Å; G534-K536 VanDerWaalsContact C-N 3.29Å; G534-K536 PolarHBondContact O-N 3.3Å |
| 537 | F | 75.1 | Confident | 68.9 | Low | 78 Ų | 78 | 100 Ų | 100 | 34% | 0.342 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -107 | 0.2 | -174.7 | -63.9 | -76.2 | 0 | 0 | 0 | 113.4 | G534 I539 E540 L541 L560 L564 | G534-F537 PolarHBondContact O-N 2.71Å; F537-I539 VanDerWaalsContact C-N 3.29Å; F537-I539 PolarHBondContact O-N 3.08Å; F537-E540 WeakPolarHBondContact CD1-OE2 3.42Å; F537-E540 PolarHBondContact O-N 2.92Å; F537-L541 WeakPolarHBondContact O-CB 3.26Å; F537-L541 PolarHBondContact O-N 3.21Å; F537-L560 HydrophobicContact CB-CD1 4.27Å; F537-L560 HydrophobicContact CD1-CD1 4.34Å; F537-L560 HydrophobicContact CG-CD1 4.26Å; F537-L564 HydrophobicContact CB-CD1 3.9Å |
| 538 | H | 78.4 | Confident | 70.3 | Confident | 72 Ų | 72 | 95.6 Ų | 95.6 | 33% | 0.333 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.8 | -38.2 | -179.3 | -174.3 | 80.8 | 0 | 0 | 0 | 113.4 | G534 K542 F572 | G534-H538 WeakPolarHBondContact O-CB 3.31Å; G534-H538 PolarHBondContact O-N 3.05Å; G534-H538 VanDerWaalsContact O-N 3.07Å; H538-K542 VanDerWaalsContact O-CB 3.26Å; H538-K542 WeakPolarHBondContact O-CB 3.28Å; H538-K542 PolarHBondContact O-N 2.66Å; H538-F572 AromaticContact CE1-CE2 3.75Å; H538-F572 AromaticContact CE1-CZ 3.6Å |
| 539 | I | 82.6 | Confident | 71.7 | Confident | 118 Ų | 118 | 90.2 Ų | 90.2 | 61% | 0.605 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.5 | -49.4 | 179.4 | -61.3 | 174.7 | 0 | 0 | 0 | 110.3 | F537 L541 K542 E543 | F537-I539 VanDerWaalsContact C-N 3.29Å; F537-I539 PolarHBondContact O-N 3.08Å; I539-L541 VanDerWaalsContact C-N 3.34Å; I539-L541 PolarHBondContact O-N 3.02Å; I539-K542 WeakPolarHBondContact O-CB 3.4Å; I539-K542 PolarHBondContact O-N 3.19Å; I539-E543 WeakPolarHBondContact O-CG 3.23Å; I539-E543 PolarHBondContact O-N 3.37Å |
| 540 | E | 84.6 | Confident | 73.1 | Confident | 94 Ų | 94 | 86.1 Ų | 86.1 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 177.4 | -175 | 175 | -169.8 | 0 | 0 | 111.3 | F537 K542 E543 I544 L560 | F537-E540 WeakPolarHBondContact CD1-OE2 3.42Å; F537-E540 PolarHBondContact O-N 2.92Å; E540-K542 PolarHBondContact O-N 3.27Å; E540-E543 PolarHBondContact O-N 3.07Å; E540-I544 HydrophobicContact CG-CD1 4.24Å; E540-I544 WeakPolarHBondContact O-CD1 3.36Å; E540-I544 VanDerWaalsContact O-CG1 3.28Å; E540-I544 WeakPolarHBondContact O-CG1 3.46Å; E540-I544 PolarHBondContact O-N 2.88Å; E540-I544 VanDerWaalsContact O-N 3.09Å; E540-L560 HydrophobicContact CG-CD2 4.03Å |
| 541 | L | 85.6 | Confident | 74.6 | Confident | 1 Ų | 1 | 80.7 Ų | 80.7 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 175.2 | -170.4 | 68.3 | 0 | 0 | 0 | 111.2 | F537 I539 E543 I544 M545 I561 L564 F572 | F537-L541 WeakPolarHBondContact O-CB 3.26Å; F537-L541 PolarHBondContact O-N 3.21Å; I539-L541 VanDerWaalsContact C-N 3.34Å; I539-L541 PolarHBondContact O-N 3.02Å; L541-E543 PolarHBondContact O-N 3.49Å; L541-I544 PolarHBondContact O-N 3.37Å; L541-M545 HydrophobicContact CD1-CE 3.6Å; L541-M545 HydrophobicContact CG-CE 4.24Å; L541-M545 HydrophobicContact CG-CG 4.4Å; L541-M545 VanDerWaalsContact O-CG 3.23Å; L541-M545 WeakPolarHBondContact O-CG 3.43Å; L541-M545 PolarHBondContact O-N 3.46Å; L541-I561 HydrophobicContact CD1-CG1 4.25Å; L541-L564 HydrophobicContact CD2-CB 4.38Å; L541-L564 HydrophobicContact CD2-CD1 4.27Å; L541-F572 HydrophobicContact CD2-CD2 4.26Å; L541-F572 HydrophobicContact CD2-CE2 4.15Å; L541-F572 HydrophobicContact CG-CE2 4.47Å |
| 542 | K | 86 | Confident | 76.1 | Confident | 94 Ų | 94 | 86.5 Ų | 86.5 | 41% | 0.409 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 178.1 | -177.1 | 177.6 | 173.4 | -179.5 | 0 | 111.8 | H538 I539 E540 I544 M545 E546 F572 | H538-K542 VanDerWaalsContact O-CB 3.26Å; H538-K542 WeakPolarHBondContact O-CB 3.28Å; H538-K542 PolarHBondContact O-N 2.66Å; I539-K542 WeakPolarHBondContact O-CB 3.4Å; I539-K542 PolarHBondContact O-N 3.19Å; E540-K542 PolarHBondContact O-N 3.27Å; K542-I544 VanDerWaalsContact C-N 3.28Å; K542-I544 PolarHBondContact O-N 3.07Å; K542-M545 PolarHBondContact O-N 2.97Å; K542-M545 VanDerWaalsContact O-N 3.09Å; K542-E546 WeakPolarHBondContact CE-OE1 3.48Å; K542-E546 IonicContact NZ-OE1 2.69Å; K542-E546 WeakPolarHBondContact O-CG 3.33Å; K542-E546 PolarHBondContact O-N 2.9Å; K542-F572 HydrophobicContact CB-CE1 4.39Å; K542-F572 HydrophobicContact CB-CZ 3.97Å; K542-F572 HydrophobicContact CG-CE1 4.2Å; K542-F572 HydrophobicContact CG-CZ 4.22Å |
| 543 | E | 86.7 | Confident | 78 | Confident | 116 Ų | 116 | 75.8 Ų | 75.8 | 54% | 0.542 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.3 | -36.5 | 176.8 | -73 | 177.2 | -174.2 | 0 | 0 | 112.4 | I539 E540 L541 R547 | I539-E543 WeakPolarHBondContact O-CG 3.23Å; I539-E543 PolarHBondContact O-N 3.37Å; E540-E543 PolarHBondContact O-N 3.07Å; L541-E543 PolarHBondContact O-N 3.49Å; E543-R547 WeakPolarHBondContact O-CG 3.44Å |
| 544 | I | 87.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.4 | -41.1 | 174.2 | -62.3 | 160.2 | 0 | 0 | 0 | 110.5 | E540 L541 K542 E546 R547 L553 E557 L560 I561 K578 | E540-I544 HydrophobicContact CG-CD1 4.24Å; E540-I544 WeakPolarHBondContact O-CD1 3.36Å; E540-I544 VanDerWaalsContact O-CG1 3.28Å; E540-I544 WeakPolarHBondContact O-CG1 3.46Å; E540-I544 PolarHBondContact O-N 2.88Å; E540-I544 VanDerWaalsContact O-N 3.09Å; L541-I544 PolarHBondContact O-N 3.37Å; K542-I544 VanDerWaalsContact C-N 3.28Å; K542-I544 PolarHBondContact O-N 3.07Å; I544-E546 VanDerWaalsContact C-N 3.31Å; I544-E546 PolarHBondContact O-N 2.89Å; I544-R547 PolarHBondContact O-N 3.29Å; I544-L553 HydrophobicContact CG2-CD2 3.72Å; I544-E557 HydrophobicContact CD1-CB 4.13Å; I544-E557 HydrophobicContact CD1-CG 3.78Å; I544-E557 HydrophobicContact CG1-CG 4.24Å; I544-L560 HydrophobicContact CD1-CD2 4.19Å; I544-I561 HydrophobicContact CG2-CD1 4.01Å; I544-K578 PolarHBondContact O-NZ 3.29Å |
| 545 | M | 85.9 | Confident | 81.4 | Confident | 18 Ų | 18 | 80.7 Ų | 80.7 | 9% | 0.089 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.7 | -26.6 | -178 | -68.4 | -38.9 | 115.5 | 0 | 0 | 113.8 | L541 K542 I561 F572 S575 K578 | L541-M545 HydrophobicContact CD1-CE 3.6Å; L541-M545 HydrophobicContact CG-CE 4.24Å; L541-M545 HydrophobicContact CG-CG 4.4Å; L541-M545 VanDerWaalsContact O-CG 3.23Å; L541-M545 WeakPolarHBondContact O-CG 3.43Å; L541-M545 PolarHBondContact O-N 3.46Å; K542-M545 PolarHBondContact O-N 2.97Å; K542-M545 VanDerWaalsContact O-N 3.09Å; M545-I561 HydrophobicContact CE-CD1 3.83Å; M545-I561 HydrophobicContact CE-CG1 3.65Å; M545-F572 HydrophobicContact CB-CD1 4.3Å; M545-F572 HydrophobicContact CB-CG 4.41Å; M545-F572 HydrophobicContact CG-CB 4.16Å; M545-F572 HydrophobicContact CG-CD1 4.36Å; M545-F572 HydrophobicContact CG-CD2 4.22Å; M545-F572 HydrophobicContact CG-CG 3.99Å; M545-S575 WeakPolarHBondContact SD-CB 3.49Å; M545-K578 PolarHBondContact O-NZ 3.2Å; M545-K578 HydrophobicContact SD-CD 3.99Å |
| 546 | E | 81.7 | Confident | 82.7 | Confident | 134 Ų | 134 | 77.2 Ų | 77.2 | 63% | 0.626 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -10.3 | 179.1 | -71.6 | 174.8 | 174.2 | 0 | 0 | 114.4 | K542 I544 | K542-E546 WeakPolarHBondContact CE-OE1 3.48Å; K542-E546 IonicContact NZ-OE1 2.69Å; K542-E546 WeakPolarHBondContact O-CG 3.33Å; K542-E546 PolarHBondContact O-N 2.9Å; I544-E546 VanDerWaalsContact C-N 3.31Å; I544-E546 PolarHBondContact O-N 2.89Å |
| 547 | R | 83.1 | Confident | 83.8 | Confident | 86 Ų | 86 | 70.1 Ų | 70.1 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -69.9 | 153.2 | 178.5 | -55.9 | -177 | -164.5 | 159.1 | 5.4 | 113.1 | E543 I544 E557 K578 | E543-R547 WeakPolarHBondContact O-CG 3.44Å; I544-R547 PolarHBondContact O-N 3.29Å; R547-E557 IonicContact CZ-OE1 3.8Å; R547-E557 IonicContact NH1-OE1 3.85Å; R547-E557 PolarHBondContact NH1-OE1 3.35Å; R547-E557 IonicContact NH1-OE2 3.6Å; R547-E557 PolarHBondContact NH1-OE2 3.46Å; R547-E557 IonicContact NH2-OE1 2.61Å; R547-E557 PolarHBondContact NH2-OE1 3.03Å; R547-K578 WeakPolarHBondContact O-CE 3.19Å; R547-K578 PolarHBondContact O-NZ 3.26Å |
| 548 | D | 77.4 | Confident | 84.7 | Confident | 13 Ų | 13 | 68.8 Ų | 68.8 | 7% | 0.07 | 34% | 0.337 | C | S | . | . | trans | -69.7 | 159.4 | 177.7 | 66.4 | 102.4 | 0 | 0 | 0 | 113.6 | L550 S551 K1034 | D548-L550 VanDerWaalsContact C-N 3.27Å; D548-L550 PolarHBondContact O-N 2.85Å; D548-L550 WeakPolarHBondContact OD1-CB 3.47Å; D548-L550 PolarHBondContact OD1-N 3.22Å; D548-S551 VanDerWaalsContact O-CB 3.28Å; D548-S551 WeakPolarHBondContact O-CB 3.39Å; D548-S551 PolarHBondContact O-N 3.5Å; D548-S551 PolarHBondContact OD1-N 2.94Å; D548-S551 PolarHBondContact OD2-OG 2.75Å; D548-K1034 WeakPolarHBondContact OD1-CD 3.33Å; D548-K1034 WeakPolarHBondContact OD1-CE 3.32Å; D548-K1034 IonicContact OD1-NZ 3.67Å; D548-K1034 PolarHBondContact OD1-NZ 3.28Å; D548-K1034 VanDerWaalsContact OD2-CE 3.26Å; D548-K1034 WeakPolarHBondContact OD2-CE 3.4Å; D548-K1034 IonicContact OD2-NZ 2.93Å; D548-K1034 PolarHBondContact OD2-NZ 2.88Å | ||
| 549 | P | 74.9 | Confident | 85.3 | Confident | 30 Ų | 30 | 68.4 Ų | 68.4 | 20% | 0.195 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.3 | -177.7 | -28.4 | 35.6 | 0 | 0 | 0 | 116 | S551 N1007 | P549-S551 VanDerWaalsContact C-N 3.28Å; P549-S551 PolarHBondContact O-N 2.98Å; P549-N1007 VanDerWaalsContact CD-CG 3.46Å; P549-N1007 WeakPolarHBondContact CD-OD1 3.35Å; P549-N1007 HydrophobicContact CG-CB 4.17Å |
| 550 | L | 73.9 | Confident | 85.7 | Confident | 42 Ų | 42 | 64 Ų | 64 | 22% | 0.22 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -6.2 | 179.2 | -62.7 | 178.3 | 0 | 0 | 0 | 113 | D548 Q552 I1010 V1027 I1030 | D548-L550 VanDerWaalsContact C-N 3.27Å; D548-L550 PolarHBondContact O-N 2.85Å; D548-L550 WeakPolarHBondContact OD1-CB 3.47Å; D548-L550 PolarHBondContact OD1-N 3.22Å; L550-Q552 PolarHBondContact O-N 3.46Å; L550-I1010 HydrophobicContact CD1-CD1 4.26Å; L550-I1010 HydrophobicContact CD1-CG1 4.41Å; L550-I1010 HydrophobicContact CD1-CG2 3.81Å; L550-I1010 HydrophobicContact CD2-CG2 4.09Å; L550-I1010 HydrophobicContact CG-CG2 3.59Å; L550-V1027 HydrophobicContact CD1-CG1 4.49Å; L550-V1027 HydrophobicContact CD2-CG1 3.72Å; L550-I1030 HydrophobicContact CD1-CB 4.35Å; L550-I1030 HydrophobicContact CD1-CG2 3.91Å |
| 551 | S | 81.1 | Confident | 86.2 | Confident | 36 Ų | 36 | 59.5 Ų | 59.5 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -71.4 | 118.1 | 178.9 | -74.2 | 0 | 0 | 0 | 0 | 110.9 | D548 P549 L553 K1034 | D548-S551 VanDerWaalsContact O-CB 3.28Å; D548-S551 WeakPolarHBondContact O-CB 3.39Å; D548-S551 PolarHBondContact O-N 3.5Å; D548-S551 PolarHBondContact OD1-N 2.94Å; D548-S551 PolarHBondContact OD2-OG 2.75Å; P549-S551 VanDerWaalsContact C-N 3.28Å; P549-S551 PolarHBondContact O-N 2.98Å; S551-L553 PolarHBondContact O-N 3.33Å; S551-K1034 PolarHBondContact OG-NZ 2.94Å |
| 552 | Q | 81.9 | Confident | 86.5 | Confident | 183 Ų | 183 | 60.8 Ų | 60.8 | 86% | 0.855 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 130.4 | 177.6 | -67.4 | -177.4 | -8.5 | 0 | 0 | 111 | L550 | L550-Q552 PolarHBondContact O-N 3.46Š|
| 553 | L | 88.7 | Confident | 86.8 | Confident | 27 Ų | 27 | 60.6 Ų | 60.6 | 14% | 0.141 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 132.5 | 172.6 | -62.8 | 171.4 | 0 | 0 | 0 | 109.8 | I544 S551 E557 K558 I561 K578 L581 | I544-L553 HydrophobicContact CG2-CD2 3.72Å; S551-L553 PolarHBondContact O-N 3.33Å; L553-E557 HydrophobicContact CD2-CB 4.49Å; L553-K558 HydrophobicContact CB-CG 3.99Å; L553-I561 HydrophobicContact CD1-CD1 3.98Å; L553-I561 HydrophobicContact CD2-CD1 4.22Å; L553-K578 HydrophobicContact CD1-CB 4.23Å; L553-K578 HydrophobicContact CD1-CG 4.48Å; L553-L581 HydrophobicContact CD1-CB 4.39Å |
| 554 | C | 91.2 | Very high | 87 | Confident | 63 Ų | 63 | 56 Ų | 56 | 43% | 0.426 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 161.3 | 169.9 | 73.6 | 0 | 0 | 0 | 0 | 111.3 | N556 E557 K558 | C554-N556 VanDerWaalsContact C-N 3.27Å; C554-N556 PolarHBondContact O-N 2.89Å; C554-E557 PolarHBondContact N-OE2 3.22Å; C554-E557 WeakPolarHBondContact O-CB 3.41Å; C554-E557 PolarHBondContact O-N 3.49Å; C554-E557 WeakPolarHBondContact SG-CG 3.45Å; C554-E557 PolarHBondContact SG-OE2 3.39Å; C554-K558 PolarHBondContact O-N 2.93Å |
| 555 | E | 90.2 | Very high | 87.2 | Confident | 106 Ų | 106 | 58 Ų | 58 | 50% | 0.495 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.4 | -35.1 | -175.1 | -67.4 | -59.8 | 120.7 | 0 | 0 | 113.4 | E557 K558 D559 | E555-E557 VanDerWaalsContact C-N 3.33Å; E555-E557 PolarHBondContact O-N 3.36Å; E555-K558 PolarHBondContact O-N 2.64Å; E555-K558 IonicContact OE1-NZ 3.73Å; E555-K558 PolarHBondContact OE1-NZ 3.09Å; E555-D559 PolarHBondContact O-N 2.69Å |
| 556 | N | 91.3 | Very high | 87.4 | Confident | 133 Ų | 133 | 61.2 Ų | 61.2 | 71% | 0.711 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.7 | -38.1 | 175.9 | -65.5 | -18.2 | 0 | 0 | 0 | 112.1 | C554 L560 | C554-N556 VanDerWaalsContact C-N 3.27Å; C554-N556 PolarHBondContact O-N 2.89Å; N556-L560 WeakPolarHBondContact O-CB 3.35Å; N556-L560 PolarHBondContact O-N 3.45Å |
| 557 | E | 92.6 | Very high | 87.8 | Confident | 27 Ų | 27 | 57.1 Ų | 57.1 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.2 | -41.6 | 177.6 | -69.5 | 168.4 | 148.1 | 0 | 0 | 110.6 | I544 R547 L553 C554 E555 L560 I561 | I544-E557 HydrophobicContact CD1-CB 4.13Å; I544-E557 HydrophobicContact CD1-CG 3.78Å; I544-E557 HydrophobicContact CG1-CG 4.24Å; R547-E557 IonicContact CZ-OE1 3.8Å; R547-E557 IonicContact NH1-OE1 3.85Å; R547-E557 PolarHBondContact NH1-OE1 3.35Å; R547-E557 IonicContact NH1-OE2 3.6Å; R547-E557 PolarHBondContact NH1-OE2 3.46Å; R547-E557 IonicContact NH2-OE1 2.61Å; R547-E557 PolarHBondContact NH2-OE1 3.03Å; L553-E557 HydrophobicContact CD2-CB 4.49Å; C554-E557 PolarHBondContact N-OE2 3.22Å; C554-E557 WeakPolarHBondContact O-CB 3.41Å; C554-E557 PolarHBondContact O-N 3.49Å; C554-E557 WeakPolarHBondContact SG-CG 3.45Å; C554-E557 PolarHBondContact SG-OE2 3.39Å; E555-E557 VanDerWaalsContact C-N 3.33Å; E555-E557 PolarHBondContact O-N 3.36Å; E557-L560 PolarHBondContact O-N 2.9Å; E557-I561 WeakPolarHBondContact O-CG1 3.33Å; E557-I561 PolarHBondContact O-N 3.45Å |
| 558 | K | 93.2 | Very high | 88.1 | Confident | 49 Ų | 49 | 53 Ų | 53 | 21% | 0.213 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 174.8 | -67.3 | -178.9 | -176.7 | 170.4 | 0 | 111.9 | L553 C554 E555 L560 I561 W562 | L553-K558 HydrophobicContact CB-CG 3.99Å; C554-K558 PolarHBondContact O-N 2.93Å; E555-K558 PolarHBondContact O-N 2.64Å; E555-K558 IonicContact OE1-NZ 3.73Å; E555-K558 PolarHBondContact OE1-NZ 3.09Å; K558-L560 VanDerWaalsContact C-N 3.29Å; K558-L560 PolarHBondContact O-N 3.44Å; K558-I561 PolarHBondContact O-N 2.83Å; K558-W562 WeakPolarHBondContact O-CB 3.45Å; K558-W562 PolarHBondContact O-N 3.49Å |
| 559 | D | 92.1 | Very high | 88.8 | Confident | 64 Ų | 64 | 54.5 Ų | 54.5 | 34% | 0.342 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 177.8 | -78.8 | -21.5 | 0 | 0 | 0 | 111.4 | E555 T563 K584 | E555-D559 PolarHBondContact O-N 2.69Å; D559-T563 VanDerWaalsContact O-CB 3.3Å; D559-T563 WeakPolarHBondContact O-CB 3.23Å; D559-T563 PolarHBondContact O-N 2.88Å; D559-T563 PolarHBondContact O-OG1 3.4Å; D559-K584 WeakPolarHBondContact OD1-CE 3.43Å; D559-K584 IonicContact OD1-NZ 2.79Å; D559-K584 PolarHBondContact OD1-NZ 3.35Å |
| 560 | L | 91.4 | Very high | 89.5 | Confident | 26 Ų | 26 | 59 Ų | 59 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -48.3 | 174.8 | -178.6 | 63.4 | 0 | 0 | 0 | 111.9 | F537 E540 I544 N556 E557 K558 W562 T563 L564 | F537-L560 HydrophobicContact CB-CD1 4.27Å; F537-L560 HydrophobicContact CD1-CD1 4.34Å; F537-L560 HydrophobicContact CG-CD1 4.26Å; E540-L560 HydrophobicContact CG-CD2 4.03Å; I544-L560 HydrophobicContact CD1-CD2 4.19Å; N556-L560 WeakPolarHBondContact O-CB 3.35Å; N556-L560 PolarHBondContact O-N 3.45Å; E557-L560 PolarHBondContact O-N 2.9Å; K558-L560 VanDerWaalsContact C-N 3.29Å; K558-L560 PolarHBondContact O-N 3.44Å; L560-W562 VanDerWaalsContact C-N 3.35Å; L560-W562 PolarHBondContact O-N 3.42Å; L560-T563 PolarHBondContact O-N 3.25Å; L560-L564 HydrophobicContact CD1-CD1 3.69Å; L560-L564 HydrophobicContact CD1-CG 4.16Å; L560-L564 HydrophobicContact CG-CD1 4.21Å; L560-L564 PolarHBondContact O-N 3.11Å |
| 561 | I | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 178.4 | -67.8 | 164.1 | 0 | 0 | 0 | 110.5 | L541 I544 M545 L553 E557 K558 T563 L564 R565 K578 L579 S582 | L541-I561 HydrophobicContact CD1-CG1 4.25Å; I544-I561 HydrophobicContact CG2-CD1 4.01Å; M545-I561 HydrophobicContact CE-CD1 3.83Å; M545-I561 HydrophobicContact CE-CG1 3.65Å; L553-I561 HydrophobicContact CD1-CD1 3.98Å; L553-I561 HydrophobicContact CD2-CD1 4.22Å; E557-I561 WeakPolarHBondContact O-CG1 3.33Å; E557-I561 PolarHBondContact O-N 3.45Å; K558-I561 PolarHBondContact O-N 2.83Å; I561-T563 VanDerWaalsContact C-N 3.35Å; I561-T563 PolarHBondContact O-N 3.1Å; I561-L564 CarbonylContact O-C 3.54Å; I561-L564 PolarHBondContact O-N 3.02Å; I561-R565 WeakPolarHBondContact O-CA 3.46Å; I561-R565 PolarHBondContact O-N 3.16Å; I561-K578 HydrophobicContact CD1-CB 4.48Å; I561-L579 HydrophobicContact CG2-CB 4.18Å; I561-L579 HydrophobicContact CG2-CD1 3.82Å; I561-S582 WeakPolarHBondContact CD1-OG 3.18Å |
| 562 | W | 93.7 | Very high | 90.7 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 10% | 0.102 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 178.3 | -173.8 | -118.6 | 0 | 0 | 0 | 111.8 | K558 L560 L564 R565 L579 V583 D590 Q593 L594 | K558-W562 WeakPolarHBondContact O-CB 3.45Å; K558-W562 PolarHBondContact O-N 3.49Å; L560-W562 VanDerWaalsContact C-N 3.35Å; L560-W562 PolarHBondContact O-N 3.42Å; W562-L564 VanDerWaalsContact C-N 3.34Å; W562-L564 PolarHBondContact O-N 2.78Å; W562-R565 WeakPolarHBondContact O-CB 3.24Å; W562-R565 VanDerWaalsContact O-CD 3.27Å; W562-R565 WeakPolarHBondContact O-CD 3.42Å; W562-R565 VanDerWaalsContact O-CG 3.28Å; W562-R565 WeakPolarHBondContact O-CG 3.46Å; W562-R565 PolarHBondContact O-N 2.99Å; W562-R565 PolarHBondContact O-NH1 3.39Å; W562-L579 HydrophobicContact CE3-CD1 3.91Å; W562-L579 HydrophobicContact CZ3-CD1 4.32Å; W562-V583 HydrophobicContact CE3-CG2 3.76Å; W562-V583 HydrophobicContact CH2-CG1 4.35Å; W562-V583 HydrophobicContact CH2-CG2 4.15Å; W562-V583 HydrophobicContact CZ3-CB 4.33Å; W562-V583 HydrophobicContact CZ3-CG1 4.35Å; W562-V583 HydrophobicContact CZ3-CG2 3.37Å; W562-D590 HydrophobicContact CH2-CB 4.35Å; W562-D590 WeakPolarHBondContact CH2-O 3.4Å; W562-D590 HydrophobicContact CZ2-CB 3.69Å; W562-D590 PolarHBondContact NE1-OD1 2.91Å; W562-Q593 HydrophobicContact CH2-CB 4.31Å; W562-Q593 HydrophobicContact CZ2-CB 4.3Å; W562-L594 HydrophobicContact CH2-CB 4.07Å; W562-L594 HydrophobicContact CZ3-CB 4.32Å |
| 563 | T | 90.8 | Very high | 91.1 | Very high | 91 Ų | 91 | 53.3 Ų | 53.3 | 56% | 0.558 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 176.6 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | D559 L560 I561 | D559-T563 VanDerWaalsContact O-CB 3.3Å; D559-T563 WeakPolarHBondContact O-CB 3.23Å; D559-T563 PolarHBondContact O-N 2.88Å; D559-T563 PolarHBondContact O-OG1 3.4Å; L560-T563 PolarHBondContact O-N 3.25Å; I561-T563 VanDerWaalsContact C-N 3.35Å; I561-T563 PolarHBondContact O-N 3.1Å |
| 564 | L | 90.9 | Very high | 91.2 | Very high | 20 Ų | 20 | 56.9 Ų | 56.9 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 19.3 | -177.7 | -59.4 | -179 | 0 | 0 | 0 | 113.6 | F537 L541 L560 I561 W562 H566 D567 C568 | F537-L564 HydrophobicContact CB-CD1 3.9Å; L541-L564 HydrophobicContact CD2-CB 4.38Å; L541-L564 HydrophobicContact CD2-CD1 4.27Å; L560-L564 HydrophobicContact CD1-CD1 3.69Å; L560-L564 HydrophobicContact CD1-CG 4.16Å; L560-L564 HydrophobicContact CG-CD1 4.21Å; L560-L564 PolarHBondContact O-N 3.11Å; I561-L564 CarbonylContact O-C 3.54Å; I561-L564 PolarHBondContact O-N 3.02Å; W562-L564 VanDerWaalsContact C-N 3.34Å; W562-L564 PolarHBondContact O-N 2.78Å; L564-H566 PolarHBondContact O-N 3.43Å; L564-D567 HydrophobicContact CB-CB 4.35Å; L564-D567 WeakPolarHBondContact O-CA 3.34Å; L564-D567 WeakPolarHBondContact O-CB 3.47Å; L564-D567 PolarHBondContact O-N 3.04Å; L564-C568 PolarHBondContact O-N 2.99Å; L564-C568 PolarHBondContact O-SG 3.24Å |
| 565 | R | 92.3 | Very high | 91.2 | Very high | 43 Ų | 43 | 54.1 Ų | 54.1 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -52.1 | -32.8 | -173.9 | 63.9 | -168.6 | 174.1 | -77 | 4.8 | 115.6 | I561 W562 C568 R569 L579 L597 | I561-R565 WeakPolarHBondContact O-CA 3.46Å; I561-R565 PolarHBondContact O-N 3.16Å; W562-R565 WeakPolarHBondContact O-CB 3.24Å; W562-R565 VanDerWaalsContact O-CD 3.27Å; W562-R565 WeakPolarHBondContact O-CD 3.42Å; W562-R565 VanDerWaalsContact O-CG 3.28Å; W562-R565 WeakPolarHBondContact O-CG 3.46Å; W562-R565 PolarHBondContact O-N 2.99Å; W562-R565 PolarHBondContact O-NH1 3.39Å; R565-C568 WeakPolarHBondContact O-CB 3.38Å; R565-R569 PolarHBondContact O-N 3.43Å; R565-R569 VanDerWaalsContact O-N 3.15Å; R565-L579 HydrophobicContact CB-CD1 3.72Å; R565-L579 HydrophobicContact CB-CD2 4.39Å; R565-L597 HydrophobicContact CB-CD2 3.87Å; R565-L597 HydrophobicContact CG-CD2 3.98Å |
| 566 | H | 90.4 | Very high | 91.4 | Very high | 86 Ų | 86 | 49.1 Ų | 49.1 | 40% | 0.398 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -74.2 | -37.6 | 174.9 | -67.2 | -69.6 | 0 | 0 | 0 | 112.5 | L564 C568 R569 E570 | L564-H566 PolarHBondContact O-N 3.43Å; H566-C568 VanDerWaalsContact C-N 3.31Å; H566-R569 WeakPolarHBondContact O-CB 3.42Å; H566-R569 PolarHBondContact O-N 2.74Å; H566-E570 WeakPolarHBondContact O-CG 3.37Å; H566-E570 PolarHBondContact O-N 3.49Å; H566-E570 VanDerWaalsContact O-N 3.07Å |
| 567 | D | 88.9 | Confident | 91.5 | Very high | 47 Ų | 47 | 43 Ų | 43 | 25% | 0.251 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.1 | -35.8 | 172.9 | -67.4 | -17 | 0 | 0 | 0 | 110.6 | G534 L564 E570 N571 | G534-D567 WeakPolarHBondContact CA-OD2 3.32Å; L564-D567 HydrophobicContact CB-CB 4.35Å; L564-D567 WeakPolarHBondContact O-CA 3.34Å; L564-D567 WeakPolarHBondContact O-CB 3.47Å; L564-D567 PolarHBondContact O-N 3.04Å; D567-E570 PolarHBondContact O-N 3.04Å; D567-N571 WeakPolarHBondContact O-CB 3.24Å; D567-N571 PolarHBondContact O-N 3.41Å; D567-N571 PolarHBondContact O-ND2 2.97Å |
| 568 | C | 90.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -49.6 | 172.3 | -61.9 | 0 | 0 | 0 | 0 | 111 | L564 R565 H566 E570 F572 W601 | L564-C568 PolarHBondContact O-N 2.99Å; L564-C568 PolarHBondContact O-SG 3.24Å; R565-C568 WeakPolarHBondContact O-CB 3.38Å; H566-C568 VanDerWaalsContact C-N 3.31Å; C568-E570 VanDerWaalsContact C-N 3.31Å; C568-E570 PolarHBondContact O-N 3.48Å; C568-F572 CarbonylContact O-C 3.55Å; C568-F572 VanDerWaalsContact O-CA 3.23Å; C568-F572 WeakPolarHBondContact O-CA 3.1Å; C568-F572 PolarHBondContact O-N 3.33Å; C568-F572 VanDerWaalsContact O-O 3.12Å; C568-W601 HydrophobicContact CB-CH2 4.21Å |
| 569 | R | 92.4 | Very high | 91.6 | Very high | 44 Ų | 44 | 40.7 Ų | 40.7 | 17% | 0.166 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.7 | -43.4 | 177.2 | -175.5 | -163.6 | 64.4 | -157.1 | -0.6 | 112.3 | R565 H566 W601 | R565-R569 PolarHBondContact O-N 3.43Å; R565-R569 VanDerWaalsContact O-N 3.15Å; H566-R569 WeakPolarHBondContact O-CB 3.42Å; H566-R569 PolarHBondContact O-N 2.74Å; R569-W601 HydrophobicContact CB-CD2 4.46Å; R569-W601 HydrophobicContact CB-CE3 3.84Å; R569-W601 HydrophobicContact CB-CH2 3.98Å; R569-W601 HydrophobicContact CB-CZ3 3.57Å; R569-W601 HydrophobicContact CG-CD2 4.12Å; R569-W601 HydrophobicContact CG-CE3 3.8Å; R569-W601 HydrophobicContact CG-CZ3 4.09Å |
| 570 | E | 89.4 | Confident | 91.8 | Very high | 124 Ų | 124 | 37.8 Ų | 37.8 | 58% | 0.579 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -78 | -37.2 | -173.3 | -73.1 | 176.8 | -168.7 | 0 | 0 | 113.3 | H566 D567 C568 | H566-E570 WeakPolarHBondContact O-CG 3.37Å; H566-E570 PolarHBondContact O-N 3.49Å; H566-E570 VanDerWaalsContact O-N 3.07Å; D567-E570 PolarHBondContact O-N 3.04Å; C568-E570 VanDerWaalsContact C-N 3.31Å; C568-E570 PolarHBondContact O-N 3.48Å |
| 571 | N | 88.6 | Confident | 91.8 | Very high | 84 Ų | 84 | 39 Ų | 39 | 45% | 0.449 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -107.1 | -22.7 | -172.5 | -56.2 | -71.9 | 0 | 0 | 0 | 113.6 | D567 | D567-N571 WeakPolarHBondContact O-CB 3.24Å; D567-N571 PolarHBondContact O-N 3.41Å; D567-N571 PolarHBondContact O-ND2 2.97Å |
| 572 | F | 90.4 | Very high | 91.9 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 9% | 0.088 | 20% | 0.195 | C | C | . | . | trans | -141.3 | 60.1 | -174.8 | -52.6 | -77.3 | 0 | 0 | 0 | 112.7 | H538 L541 K542 M545 C568 Q574 S575 | H538-F572 AromaticContact CE1-CE2 3.75Å; H538-F572 AromaticContact CE1-CZ 3.6Å; L541-F572 HydrophobicContact CD2-CD2 4.26Å; L541-F572 HydrophobicContact CD2-CE2 4.15Å; L541-F572 HydrophobicContact CG-CE2 4.47Å; K542-F572 HydrophobicContact CB-CE1 4.39Å; K542-F572 HydrophobicContact CB-CZ 3.97Å; K542-F572 HydrophobicContact CG-CE1 4.2Å; K542-F572 HydrophobicContact CG-CZ 4.22Å; M545-F572 HydrophobicContact CB-CD1 4.3Å; M545-F572 HydrophobicContact CB-CG 4.41Å; M545-F572 HydrophobicContact CG-CB 4.16Å; M545-F572 HydrophobicContact CG-CD1 4.36Å; M545-F572 HydrophobicContact CG-CD2 4.22Å; M545-F572 HydrophobicContact CG-CG 3.99Å; C568-F572 CarbonylContact O-C 3.55Å; C568-F572 VanDerWaalsContact O-CA 3.23Å; C568-F572 WeakPolarHBondContact O-CA 3.1Å; C568-F572 PolarHBondContact O-N 3.33Å; C568-F572 VanDerWaalsContact O-O 3.12Å; F572-Q574 PolarHBondContact O-N 3.04Å; F572-S575 WeakPolarHBondContact O-CB 3.27Å; F572-S575 PolarHBondContact O-N 3.22Å; F572-S575 PolarHBondContact O-OG 2.93Å | ||
| 573 | P | 91.6 | Very high | 91.9 | Very high | 39 Ų | 39 | 38 Ų | 38 | 25% | 0.253 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -52.6 | -33.9 | -177.8 | -23.8 | 31.5 | 0 | 0 | 0 | 114.5 | S575 L576 W601 P602 L604 | P573-S575 PolarHBondContact O-N 3.44Å; P573-S575 VanDerWaalsContact O-N 3.12Å; P573-L576 PolarHBondContact O-N 2.96Å; P573-W601 VanDerWaalsContact O-CZ2 3.3Å; P573-W601 WeakPolarHBondContact O-CZ2 3.22Å; P573-W601 PolarHBondContact O-NE1 3.12Å; P573-P602 HydrophobicContact CB-CB 4.33Å; P573-P602 HydrophobicContact CB-CG 4.26Å; P573-P602 HydrophobicContact CG-CG 4.26Å; P573-L604 VanDerWaalsContact O-CD2 3.24Å; P573-L604 WeakPolarHBondContact O-CD2 3.39Å |
| 574 | Q | 90.1 | Very high | 92.1 | Very high | 101 Ų | 101 | 36.8 Ų | 36.8 | 47% | 0.472 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -63.3 | -11.3 | 175.8 | 74.1 | -77.5 | 13 | 0 | 0 | 114 | F572 L576 P577 | F572-Q574 PolarHBondContact O-N 3.04Å; Q574-L576 PolarHBondContact O-N 3.38Å; Q574-P577 VanDerWaalsContact O-CD 3.31Å; Q574-P577 WeakPolarHBondContact O-CD 3.39Å |
| 575 | S | 90.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -80.9 | 2.5 | 178.9 | 78.7 | 0 | 0 | 0 | 0 | 114.6 | M545 F572 P573 P577 K578 L579 | M545-S575 WeakPolarHBondContact SD-CB 3.49Å; F572-S575 WeakPolarHBondContact O-CB 3.27Å; F572-S575 PolarHBondContact O-N 3.22Å; F572-S575 PolarHBondContact O-OG 2.93Å; P573-S575 PolarHBondContact O-N 3.44Å; P573-S575 VanDerWaalsContact O-N 3.12Å; S575-P577 VanDerWaalsContact C-N 3.28Å; S575-K578 PolarHBondContact O-N 2.92Å; S575-K578 VanDerWaalsContact O-N 3.07Å; S575-L579 PolarHBondContact O-N 3.18Å |
| 576 | L | 94.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -49.1 | -43.2 | -179.4 | -177.1 | 57.2 | 0 | 0 | 0 | 113.3 | P573 Q574 K578 L579 L580 L598 W601 L604 L612 Y625 | P573-L576 PolarHBondContact O-N 2.96Å; Q574-L576 PolarHBondContact O-N 3.38Å; L576-K578 PolarHBondContact O-N 3.38Å; L576-L579 HydrophobicContact CD1-CD2 4.37Å; L576-L579 WeakPolarHBondContact O-CB 3.09Å; L576-L579 PolarHBondContact O-N 3.03Å; L576-L580 HydrophobicContact CD1-CD1 4.17Å; L576-L580 HydrophobicContact CD1-CD2 4.44Å; L576-L580 HydrophobicContact CD1-CG 4.03Å; L576-L580 HydrophobicContact CG-CD1 3.92Å; L576-L580 HydrophobicContact CG-CG 4.28Å; L576-L580 VanDerWaalsContact O-CG 3.25Å; L576-L580 WeakPolarHBondContact O-CG 3.47Å; L576-L580 PolarHBondContact O-N 3.07Å; L576-L598 HydrophobicContact CD1-CD1 4.3Å; L576-L598 HydrophobicContact CD2-CD1 3.86Å; L576-W601 HydrophobicContact CB-CZ2 3.81Å; L576-W601 HydrophobicContact CD1-CD2 3.94Å; L576-W601 HydrophobicContact CD1-CE3 4.18Å; L576-W601 HydrophobicContact CD1-CG 4.41Å; L576-W601 HydrophobicContact CD1-CH2 4.41Å; L576-W601 HydrophobicContact CD1-CZ2 4.19Å; L576-W601 HydrophobicContact CD1-CZ3 4.4Å; L576-W601 HydrophobicContact CD2-CG 4.24Å; L576-L604 HydrophobicContact CB-CD1 4.3Å; L576-L604 HydrophobicContact CD2-CD1 4.29Å; L576-L612 HydrophobicContact CD2-CD1 3.9Å; L576-L612 HydrophobicContact CG-CD1 4.49Å; L576-Y625 HydrophobicContact CD2-CD1 4Å; L576-Y625 HydrophobicContact CD2-CE1 3.53Å |
| 577 | P | 93.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.9 | -45.2 | 177.6 | -19.9 | 30.7 | 0 | 0 | 0 | 112.8 | Q574 S575 L579 L580 L581 E611 L612 Y617 | Q574-P577 VanDerWaalsContact O-CD 3.31Å; Q574-P577 WeakPolarHBondContact O-CD 3.39Å; S575-P577 VanDerWaalsContact C-N 3.28Å; P577-L579 PolarHBondContact O-N 3.02Å; P577-L580 WeakPolarHBondContact O-CB 3.37Å; P577-L580 PolarHBondContact O-N 3.15Å; P577-L581 WeakPolarHBondContact O-CG 3.5Å; P577-L581 PolarHBondContact O-N 3.23Å; P577-E611 HydrophobicContact CB-CG 4.47Å; P577-E611 WeakPolarHBondContact CB-OE1 3.37Å; P577-L612 HydrophobicContact CB-CD2 4.08Å; P577-L612 HydrophobicContact CG-CD2 3.82Å; P577-Y617 HydrophobicContact CB-CE1 4.18Å; P577-Y617 WeakPolarHBondContact CB-OH 3.39Å |
| 578 | K | 92.8 | Very high | 92.9 | Very high | 26 Ų | 26 | 36 Ų | 36 | 11% | 0.113 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.5 | -36.8 | 176.8 | -67.5 | 176.1 | -177 | 167.6 | 0 | 112.9 | I544 M545 R547 L553 I561 S575 L576 L581 S582 | I544-K578 PolarHBondContact O-NZ 3.29Å; M545-K578 PolarHBondContact O-NZ 3.2Å; M545-K578 HydrophobicContact SD-CD 3.99Å; R547-K578 WeakPolarHBondContact O-CE 3.19Å; R547-K578 PolarHBondContact O-NZ 3.26Å; L553-K578 HydrophobicContact CD1-CB 4.23Å; L553-K578 HydrophobicContact CD1-CG 4.48Å; I561-K578 HydrophobicContact CD1-CB 4.48Å; S575-K578 PolarHBondContact O-N 2.92Å; S575-K578 VanDerWaalsContact O-N 3.07Å; L576-K578 PolarHBondContact O-N 3.38Å; K578-L581 PolarHBondContact O-N 3.01Å; K578-S582 PolarHBondContact O-N 3.21Å; K578-S582 PolarHBondContact O-OG 3.49Å |
| 579 | L | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 173.8 | 175.5 | 64.7 | 0 | 0 | 0 | 111 | I561 W562 R565 S575 L576 P577 L581 S582 V583 L597 W601 | I561-L579 HydrophobicContact CG2-CB 4.18Å; I561-L579 HydrophobicContact CG2-CD1 3.82Å; W562-L579 HydrophobicContact CE3-CD1 3.91Å; W562-L579 HydrophobicContact CZ3-CD1 4.32Å; R565-L579 HydrophobicContact CB-CD1 3.72Å; R565-L579 HydrophobicContact CB-CD2 4.39Å; S575-L579 PolarHBondContact O-N 3.18Å; L576-L579 HydrophobicContact CD1-CD2 4.37Å; L576-L579 WeakPolarHBondContact O-CB 3.09Å; L576-L579 PolarHBondContact O-N 3.03Å; P577-L579 PolarHBondContact O-N 3.02Å; L579-L581 VanDerWaalsContact C-N 3.34Å; L579-L581 PolarHBondContact O-N 3.47Å; L579-S582 WeakPolarHBondContact O-CA 3.25Å; L579-S582 WeakPolarHBondContact O-CB 3.33Å; L579-S582 PolarHBondContact O-N 3.39Å; L579-V583 VanDerWaalsContact O-CG2 3.3Å; L579-V583 WeakPolarHBondContact O-CG2 3.38Å; L579-V583 PolarHBondContact O-N 2.99Å; L579-L597 HydrophobicContact CD2-CD2 3.85Å; L579-W601 HydrophobicContact CD2-CE3 4.26Å; L579-W601 HydrophobicContact CD2-CH2 3.54Å; L579-W601 HydrophobicContact CD2-CZ3 3.3Å |
| 580 | L | 95.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -39.2 | 178.9 | -69.4 | 168.2 | 0 | 0 | 0 | 112.5 | L576 P577 S582 V583 W585 L594 L612 Y617 V622 | L576-L580 HydrophobicContact CD1-CD1 4.17Å; L576-L580 HydrophobicContact CD1-CD2 4.44Å; L576-L580 HydrophobicContact CD1-CG 4.03Å; L576-L580 HydrophobicContact CG-CD1 3.92Å; L576-L580 HydrophobicContact CG-CG 4.28Å; L576-L580 VanDerWaalsContact O-CG 3.25Å; L576-L580 WeakPolarHBondContact O-CG 3.47Å; L576-L580 PolarHBondContact O-N 3.07Å; P577-L580 WeakPolarHBondContact O-CB 3.37Å; P577-L580 PolarHBondContact O-N 3.15Å; L580-S582 PolarHBondContact O-N 3.34Å; L580-V583 PolarHBondContact O-N 3.42Å; L580-W585 HydrophobicContact CD2-CZ2 4.41Å; L580-W585 PolarHBondContact O-NE1 2.95Å; L580-L594 HydrophobicContact CD2-CD1 3.74Å; L580-L594 HydrophobicContact CD2-CD2 3.63Å; L580-L594 HydrophobicContact CD2-CG 4.19Å; L580-L612 HydrophobicContact CD1-CD2 3.54Å; L580-Y617 HydrophobicContact CB-CD1 3.91Å; L580-Y617 HydrophobicContact CB-CE1 3.88Å; L580-Y617 HydrophobicContact CD1-CD1 3.86Å; L580-Y617 HydrophobicContact CD1-CE1 4.21Å; L580-V622 HydrophobicContact CD1-CG1 3.63Å; L580-V622 HydrophobicContact CD1-CG2 4.08Å; L580-V622 HydrophobicContact CD2-CG2 3.59Å |
| 581 | L | 93.3 | Very high | 93.5 | Very high | 52 Ų | 52 | 32.6 Ų | 32.6 | 27% | 0.272 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -13.2 | 172.9 | -66.6 | 176.7 | 0 | 0 | 0 | 114 | L553 P577 K578 L579 N616 Y617 | L553-L581 HydrophobicContact CD1-CB 4.39Å; P577-L581 WeakPolarHBondContact O-CG 3.5Å; P577-L581 PolarHBondContact O-N 3.23Å; K578-L581 PolarHBondContact O-N 3.01Å; L579-L581 VanDerWaalsContact C-N 3.34Å; L579-L581 PolarHBondContact O-N 3.47Å; L581-N616 HydrophobicContact CD2-CB 4.18Å; L581-Y617 HydrophobicContact CD2-CE1 4.18Å; L581-Y617 HydrophobicContact CG-CE1 4.05Å |
| 582 | S | 94.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -9.1 | 179.6 | -56.9 | 0 | 0 | 0 | 0 | 113 | I561 K578 L579 L580 | I561-S582 WeakPolarHBondContact CD1-OG 3.18Å; K578-S582 PolarHBondContact O-N 3.21Å; K578-S582 PolarHBondContact O-OG 3.49Å; L579-S582 WeakPolarHBondContact O-CA 3.25Å; L579-S582 WeakPolarHBondContact O-CB 3.33Å; L579-S582 PolarHBondContact O-N 3.39Å; L580-S582 PolarHBondContact O-N 3.34Å |
| 583 | V | 94.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -76.2 | 134.5 | 179.9 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | W562 L579 L580 W585 D590 L594 | W562-V583 HydrophobicContact CE3-CG2 3.76Å; W562-V583 HydrophobicContact CH2-CG1 4.35Å; W562-V583 HydrophobicContact CH2-CG2 4.15Å; W562-V583 HydrophobicContact CZ3-CB 4.33Å; W562-V583 HydrophobicContact CZ3-CG1 4.35Å; W562-V583 HydrophobicContact CZ3-CG2 3.37Å; L579-V583 VanDerWaalsContact O-CG2 3.3Å; L579-V583 WeakPolarHBondContact O-CG2 3.38Å; L579-V583 PolarHBondContact O-N 2.99Å; L580-V583 PolarHBondContact O-N 3.42Å; V583-W585 HydrophobicContact CG1-CD2 4.47Å; V583-W585 PolarHBondContact O-N 3.31Å; V583-W585 VanDerWaalsContact O-N 3.13Å; V583-D590 HydrophobicContact CG1-CB 4.34Å; V583-L594 HydrophobicContact CB-CD2 4.39Å; V583-L594 HydrophobicContact CG1-CD2 4.18Å; V583-L594 HydrophobicContact CG2-CB 4.42Å; V583-L594 HydrophobicContact CG2-CD1 4.03Å; V583-L594 HydrophobicContact CG2-CD2 3.87Å; V583-L594 HydrophobicContact CG2-CG 4.3Å |
| 584 | K | 94.5 | Very high | 94.3 | Very high | 66 Ų | 66 | 27.5 Ų | 27.5 | 29% | 0.287 | 14% | 0.135 | S | C | . | . | trans | -82.7 | 88.9 | 173.1 | -66.5 | 177.1 | -175.3 | 167.9 | 0 | 108.9 | D559 S586 K587 | D559-K584 WeakPolarHBondContact OD1-CE 3.43Å; D559-K584 IonicContact OD1-NZ 2.79Å; D559-K584 PolarHBondContact OD1-NZ 3.35Å; K584-S586 PolarHBondContact O-N 2.91Å; K584-S586 VanDerWaalsContact O-N 3.13Å; K584-K587 HydrophobicContact CB-CD 4.47Å; K584-K587 PolarHBondContact O-N 3.3Å; K584-K587 VanDerWaalsContact O-N 3.07Å | ||
| 585 | W | 95.2 | Very high | 94.5 | Very high | 12 Ų | 12 | 23 Ų | 23 | 5% | 0.045 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.1 | -177.5 | -68.9 | 92.9 | 0 | 0 | 0 | 113.3 | H361 E364 L366 P398 L580 V583 K587 M591 L594 D619 | H361-W585 HydrophobicContact CB-CB 4.39Å; H361-W585 AromaticContact CD2-CD1 3.96Å; H361-W585 AromaticContact CD2-CD2 3.54Å; H361-W585 AromaticContact CD2-CE2 3.78Å; H361-W585 AromaticContact CD2-CE3 3.99Å; H361-W585 AromaticContact CD2-CG 3.67Å; H361-W585 AromaticContact CE1-CD2 3.97Å; H361-W585 AromaticContact CE1-CE3 3.6Å; H361-W585 AromaticContact CE1-CZ3 3.81Å; H361-W585 AromaticContact NE2-CD2 3.41Å; H361-W585 AromaticContact NE2-CE2 3.58Å; H361-W585 AromaticContact NE2-CE3 3.45Å; H361-W585 AromaticContact NE2-CH2 3.81Å; H361-W585 AromaticContact NE2-CZ2 3.79Å; H361-W585 AromaticContact NE2-CZ3 3.65Å; E364-W585 VanDerWaalsContact OE2-CD1 3.24Å; L366-W585 HydrophobicContact CD2-CB 3.98Å; P398-W585 HydrophobicContact CG-CB 3.95Å; P398-W585 VanDerWaalsContact CG-O 3.22Å; P398-W585 WeakPolarHBondContact CG-O 3.43Å; L580-W585 HydrophobicContact CD2-CZ2 4.41Å; L580-W585 PolarHBondContact O-NE1 2.95Å; V583-W585 HydrophobicContact CG1-CD2 4.47Å; V583-W585 PolarHBondContact O-N 3.31Å; V583-W585 VanDerWaalsContact O-N 3.13Å; W585-K587 PolarHBondContact O-N 3.02Å; W585-K587 VanDerWaalsContact O-N 3.12Å; W585-M591 HydrophobicContact CE3-CG 3.9Å; W585-M591 HydrophobicContact CE3-SD 3.99Å; W585-M591 HydrophobicContact CZ3-CG 4.36Å; W585-M591 VanDerWaalsContact O-CE 3.3Å; W585-M591 WeakPolarHBondContact O-CE 3.36Å; W585-L594 HydrophobicContact CH2-CD2 3.48Å; W585-L594 VanDerWaalsContact CH2-CD2 3.48Å; W585-L594 HydrophobicContact CZ2-CD2 3.65Å; W585-L594 HydrophobicContact CZ3-CD2 4.26Å; W585-D619 HydrophobicContact CH2-CB 3.55Å; W585-D619 HydrophobicContact CZ2-CB 4.4Å; W585-D619 HydrophobicContact CZ3-CB 3.95Å |
| 586 | S | 94.5 | Very high | 94.7 | Very high | 38 Ų | 38 | 24.1 Ų | 24.1 | 27% | 0.266 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 15.9 | 171.6 | 56 | 0 | 0 | 0 | 0 | 114.7 | D396 K584 | D396-S586 WeakPolarHBondContact CB-O 3.37Å; K584-S586 PolarHBondContact O-N 2.91Å; K584-S586 VanDerWaalsContact O-N 3.13Å |
| 587 | K | 95.2 | Very high | 94.7 | Very high | 102 Ų | 102 | 24.2 Ų | 24.2 | 44% | 0.443 | 12% | 0.124 | S | C | . | . | trans | -138.5 | 118 | 175.9 | -65.9 | -175.2 | -179.6 | -177.4 | 0 | 111.4 | K584 W585 D589 D590 M591 | K584-K587 HydrophobicContact CB-CD 4.47Å; K584-K587 PolarHBondContact O-N 3.3Å; K584-K587 VanDerWaalsContact O-N 3.07Å; W585-K587 PolarHBondContact O-N 3.02Å; W585-K587 VanDerWaalsContact O-N 3.12Å; K587-D589 VanDerWaalsContact C-N 3.29Å; K587-D589 PolarHBondContact O-N 3.37Å; K587-D590 HydrophobicContact CB-CB 4.33Å; K587-D590 PolarHBondContact O-N 3.26Å; K587-M591 WeakPolarHBondContact O-CG 3.31Å; K587-M591 PolarHBondContact O-N 2.94Å; K587-M591 VanDerWaalsContact O-N 3.17Å | ||
| 588 | H | 94.6 | Very high | 94.7 | Very high | 27 Ų | 27 | 24.1 Ų | 24.1 | 13% | 0.125 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.4 | -25 | -178.1 | 68.7 | -80.8 | 0 | 0 | 0 | 115 | W329 S395 D396 K517 M591 A592 | W329-H588 AromaticContact CD1-CG 3.99Å; W329-H588 HydrophobicContact CZ2-CB 4.19Å; W329-H588 AromaticContact NE1-CG 3.92Å; S395-H588 WeakPolarHBondContact O-CB 3.12Å; D396-H588 IonicContact OD1-CE1 2.6Å; D396-H588 IonicContact OD1-CG 2.73Å; D396-H588 PolarHBondContact OD1-N 3.46Å; D396-H588 VanDerWaalsContact OD1-N 3.16Å; D396-H588 IonicContact OD1-ND1 3.75Å; D396-H588 PolarHBondContact OD1-ND1 3.38Å; K517-H588 PolarHBondContact NZ-NE2 3.09Å; H588-M591 VanDerWaalsContact CA-CE 3.42Å; H588-M591 HydrophobicContact CB-CE 3.83Å; H588-M591 PolarHBondContact O-N 3.04Å; H588-A592 WeakPolarHBondContact O-CB 3.39Å; H588-A592 PolarHBondContact O-N 2.78Å |
| 589 | D | 94.8 | Very high | 94.8 | Very high | 64 Ų | 64 | 28.2 Ų | 28.2 | 34% | 0.342 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -64.9 | -40.6 | 173.7 | -74.6 | -4.2 | 0 | 0 | 0 | 112.3 | K517 I521 K587 Q593 | K517-D589 WeakPolarHBondContact CE-OD1 3.5Å; K517-D589 IonicContact NZ-OD1 2.85Å; K517-D589 PolarHBondContact NZ-OD1 2.98Å; I521-D589 HydrophobicContact CD1-CB 3.74Å; K587-D589 VanDerWaalsContact C-N 3.29Å; K587-D589 PolarHBondContact O-N 3.37Å; D589-Q593 WeakPolarHBondContact O-CG 3.48Å; D589-Q593 PolarHBondContact O-N 3.41Å; D589-Q593 PolarHBondContact O-NE2 3.48Å; D589-Q593 VanDerWaalsContact O-NE2 3.12Å |
| 590 | D | 95 | Very high | 94.8 | Very high | 22 Ų | 22 | 33 Ų | 33 | 12% | 0.118 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72.1 | -40.2 | 177.7 | -72.1 | -22.1 | 0 | 0 | 0 | 110.3 | W562 V583 K587 A592 Q593 L594 | W562-D590 HydrophobicContact CH2-CB 4.35Å; W562-D590 WeakPolarHBondContact CH2-O 3.4Å; W562-D590 HydrophobicContact CZ2-CB 3.69Å; W562-D590 PolarHBondContact NE1-OD1 2.91Å; V583-D590 HydrophobicContact CG1-CB 4.34Å; K587-D590 HydrophobicContact CB-CB 4.33Å; K587-D590 PolarHBondContact O-N 3.26Å; D590-A592 PolarHBondContact O-N 3.22Å; D590-Q593 PolarHBondContact O-N 3.49Å; D590-L594 PolarHBondContact O-N 3.46Å |
| 591 | M | 94.6 | Very high | 94.9 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 5% | 0.054 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.8 | -48.1 | 172.4 | -67.7 | -170.2 | -87.5 | 0 | 0 | 111.8 | D396 P398 W585 K587 H588 Q593 L594 Q595 | D396-M591 WeakPolarHBondContact O-CE 3.27Å; P398-M591 HydrophobicContact CB-SD 3.87Å; P398-M591 HydrophobicContact CG-CE 4.25Å; P398-M591 HydrophobicContact CG-SD 3.84Å; W585-M591 HydrophobicContact CE3-CG 3.9Å; W585-M591 HydrophobicContact CE3-SD 3.99Å; W585-M591 HydrophobicContact CZ3-CG 4.36Å; W585-M591 VanDerWaalsContact O-CE 3.3Å; W585-M591 WeakPolarHBondContact O-CE 3.36Å; K587-M591 WeakPolarHBondContact O-CG 3.31Å; K587-M591 PolarHBondContact O-N 2.94Å; K587-M591 VanDerWaalsContact O-N 3.17Å; H588-M591 VanDerWaalsContact CA-CE 3.42Å; H588-M591 HydrophobicContact CB-CE 3.83Å; H588-M591 PolarHBondContact O-N 3.04Å; M591-Q593 PolarHBondContact O-N 2.9Å; M591-L594 PolarHBondContact O-N 2.87Å; M591-Q595 VanDerWaalsContact O-CG 3.28Å; M591-Q595 WeakPolarHBondContact O-CG 3.2Å; M591-Q595 PolarHBondContact O-N 2.91Å |
| 592 | A | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.8 | -44 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W329 I514 K517 A518 H588 D590 Q595 A596 | W329-A592 HydrophobicContact CH2-CB 4.14Å; I514-A592 HydrophobicContact CG2-CB 4.1Å; K517-A592 HydrophobicContact CB-CB 4.23Å; K517-A592 HydrophobicContact CG-CB 3.97Å; A518-A592 HydrophobicContact CB-CB 4.23Å; A518-A592 WeakPolarHBondContact CB-O 3.33Å; H588-A592 WeakPolarHBondContact O-CB 3.39Å; H588-A592 PolarHBondContact O-N 2.78Å; D590-A592 PolarHBondContact O-N 3.22Å; A592-Q595 PolarHBondContact O-N 3.23Å; A592-A596 PolarHBondContact O-N 3.27Å; A592-A596 VanDerWaalsContact O-N 3.09Å |
| 593 | Q | 95.9 | Very high | 95.1 | Very high | 35 Ų | 35 | 39.4 Ų | 39.4 | 16% | 0.164 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 176.1 | -72.8 | 173.8 | 84.5 | 0 | 0 | 112.5 | I521 W562 D589 D590 M591 A596 L597 | I521-Q593 HydrophobicContact CD1-CG 4.28Å; I521-Q593 HydrophobicContact CG2-CG 4.19Å; W562-Q593 HydrophobicContact CH2-CB 4.31Å; W562-Q593 HydrophobicContact CZ2-CB 4.3Å; D589-Q593 WeakPolarHBondContact O-CG 3.48Å; D589-Q593 PolarHBondContact O-N 3.41Å; D589-Q593 PolarHBondContact O-NE2 3.48Å; D589-Q593 VanDerWaalsContact O-NE2 3.12Å; D590-Q593 PolarHBondContact O-N 3.49Å; M591-Q593 PolarHBondContact O-N 2.9Å; Q593-A596 PolarHBondContact O-N 3.06Å; Q593-L597 WeakPolarHBondContact O-CB 3.28Å; Q593-L597 PolarHBondContact O-N 2.91Å |
| 594 | L | 95.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -47.5 | 175.6 | 172.9 | 67.1 | 0 | 0 | 0 | 110.8 | W562 L580 V583 W585 D590 M591 A596 L597 L598 | W562-L594 HydrophobicContact CH2-CB 4.07Å; W562-L594 HydrophobicContact CZ3-CB 4.32Å; L580-L594 HydrophobicContact CD2-CD1 3.74Å; L580-L594 HydrophobicContact CD2-CD2 3.63Å; L580-L594 HydrophobicContact CD2-CG 4.19Å; V583-L594 HydrophobicContact CB-CD2 4.39Å; V583-L594 HydrophobicContact CG1-CD2 4.18Å; V583-L594 HydrophobicContact CG2-CB 4.42Å; V583-L594 HydrophobicContact CG2-CD1 4.03Å; V583-L594 HydrophobicContact CG2-CD2 3.87Å; V583-L594 HydrophobicContact CG2-CG 4.3Å; W585-L594 HydrophobicContact CH2-CD2 3.48Å; W585-L594 VanDerWaalsContact CH2-CD2 3.48Å; W585-L594 HydrophobicContact CZ2-CD2 3.65Å; W585-L594 HydrophobicContact CZ3-CD2 4.26Å; D590-L594 PolarHBondContact O-N 3.46Å; M591-L594 PolarHBondContact O-N 2.87Å; L594-A596 VanDerWaalsContact C-N 3.33Å; L594-A596 PolarHBondContact O-N 3.36Å; L594-L597 CarbonylContact O-C 3.57Å; L594-L597 WeakPolarHBondContact O-CB 3.35Å; L594-L597 PolarHBondContact O-N 3.32Å; L594-L597 VanDerWaalsContact O-N 3.08Å; L594-L598 WeakPolarHBondContact O-CB 3.39Å; L594-L598 PolarHBondContact O-N 3.28Å |
| 595 | Q | 94.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.8 | -40.5 | -178.1 | -66.3 | -58.6 | -19.6 | 0 | 0 | 111.8 | F511 I514 M591 A592 L597 L598 Q599 D619 Y621 | F511-Q595 HydrophobicContact CE2-CB 4.4Å; I514-Q595 HydrophobicContact CG2-CB 3.83Å; I514-Q595 HydrophobicContact CG2-CG 4.1Å; M591-Q595 VanDerWaalsContact O-CG 3.28Å; M591-Q595 WeakPolarHBondContact O-CG 3.2Å; M591-Q595 PolarHBondContact O-N 2.91Å; A592-Q595 PolarHBondContact O-N 3.23Å; Q595-L597 VanDerWaalsContact C-N 3.35Å; Q595-L598 PolarHBondContact O-N 2.89Å; Q595-Q599 WeakPolarHBondContact O-CG 3.28Å; Q595-Q599 PolarHBondContact O-N 2.68Å; Q595-D619 PolarHBondContact NE2-OD1 3.28Å; Q595-D619 PolarHBondContact NE2-OD2 3.45Å; Q595-Y621 HydrophobicContact CG-CD2 4.39Å |
| 596 | A | 94.3 | Very high | 95.1 | Very high | 29 Ų | 29 | 40 Ų | 40 | 24% | 0.24 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.3 | -38.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L515 A518 A592 Q593 L594 Q599 | L515-A596 HydrophobicContact CD2-CB 4.02Å; A518-A596 HydrophobicContact CB-CB 3.65Å; A592-A596 PolarHBondContact O-N 3.27Å; A592-A596 VanDerWaalsContact O-N 3.09Å; Q593-A596 PolarHBondContact O-N 3.06Å; L594-A596 VanDerWaalsContact C-N 3.33Å; L594-A596 PolarHBondContact O-N 3.36Å; A596-Q599 PolarHBondContact O-N 2.92Å |
| 597 | L | 95 | Very high | 95.1 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.5 | -37.1 | 177.6 | -177.1 | 58.6 | 0 | 0 | 0 | 112.2 | R565 L579 Q593 L594 Q595 Q599 I600 W601 | R565-L597 HydrophobicContact CB-CD2 3.87Å; R565-L597 HydrophobicContact CG-CD2 3.98Å; L579-L597 HydrophobicContact CD2-CD2 3.85Å; Q593-L597 WeakPolarHBondContact O-CB 3.28Å; Q593-L597 PolarHBondContact O-N 2.91Å; L594-L597 CarbonylContact O-C 3.57Å; L594-L597 WeakPolarHBondContact O-CB 3.35Å; L594-L597 PolarHBondContact O-N 3.32Å; L594-L597 VanDerWaalsContact O-N 3.08Å; Q595-L597 VanDerWaalsContact C-N 3.35Å; L597-Q599 VanDerWaalsContact C-N 3.32Å; L597-Q599 PolarHBondContact O-N 3.48Å; L597-I600 HydrophobicContact CD1-CD1 4.4Å; L597-I600 HydrophobicContact CD1-CG1 4.3Å; L597-I600 CarbonylContact O-C 3.59Å; L597-I600 VanDerWaalsContact O-CG1 3.25Å; L597-I600 WeakPolarHBondContact O-CG1 3.15Å; L597-I600 PolarHBondContact O-N 3.18Å; L597-W601 HydrophobicContact CD1-CE3 4.3Å; L597-W601 HydrophobicContact CD1-CZ3 4.47Å; L597-W601 HydrophobicContact CD2-CE3 4.38Å; L597-W601 HydrophobicContact CD2-CZ3 4.05Å; L597-W601 HydrophobicContact CG-CE3 3.95Å; L597-W601 HydrophobicContact CG-CZ3 4.11Å; L597-W601 PolarHBondContact O-N 3.45Å; L597-W601 VanDerWaalsContact O-N 3.1Å |
| 598 | L | 95.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -36.3 | 178.1 | -172.4 | 64.2 | 0 | 0 | 0 | 112.1 | L576 L594 Q595 I600 W601 V622 Y625 | L576-L598 HydrophobicContact CD1-CD1 4.3Å; L576-L598 HydrophobicContact CD2-CD1 3.86Å; L594-L598 WeakPolarHBondContact O-CB 3.39Å; L594-L598 PolarHBondContact O-N 3.28Å; Q595-L598 PolarHBondContact O-N 2.89Å; L598-I600 PolarHBondContact O-N 3.34Å; L598-W601 WeakPolarHBondContact O-CB 3.33Å; L598-W601 PolarHBondContact O-N 3.22Å; L598-W601 VanDerWaalsContact O-N 3.13Å; L598-V622 HydrophobicContact CD2-CG2 4.2Å; L598-Y625 HydrophobicContact CD1-CD1 4.06Å; L598-Y625 HydrophobicContact CD1-CD2 3.92Å; L598-Y625 HydrophobicContact CD1-CE2 4.37Å; L598-Y625 HydrophobicContact CD1-CG 3.76Å; L598-Y625 HydrophobicContact CG-CD2 4.27Å; L598-Y625 HydrophobicContact CG-CG 4.28Å |
| 599 | Q | 94.1 | Very high | 95 | Very high | 111 Ų | 111 | 38.1 Ų | 38.1 | 52% | 0.519 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.2 | -26.2 | 177.6 | -67.3 | -55.1 | -62.8 | 0 | 0 | 113.9 | F511 Q595 A596 L597 | F511-Q599 HydrophobicContact CE1-CG 4.11Å; F511-Q599 VanDerWaalsContact CZ-CD 3.48Å; F511-Q599 HydrophobicContact CZ-CG 3.59Å; Q595-Q599 WeakPolarHBondContact O-CG 3.28Å; Q595-Q599 PolarHBondContact O-N 2.68Å; A596-Q599 PolarHBondContact O-N 2.92Å; L597-Q599 VanDerWaalsContact C-N 3.32Å; L597-Q599 PolarHBondContact O-N 3.48Å |
| 600 | I | 94.1 | Very high | 95.1 | Very high | 100 Ų | 100 | 35 Ų | 35 | 51% | 0.513 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 10.4 | 179.2 | 63.5 | -178 | 0 | 0 | 0 | 111.7 | L597 L598 | L597-I600 HydrophobicContact CD1-CD1 4.4Å; L597-I600 HydrophobicContact CD1-CG1 4.3Å; L597-I600 CarbonylContact O-C 3.59Å; L597-I600 VanDerWaalsContact O-CG1 3.25Å; L597-I600 WeakPolarHBondContact O-CG1 3.15Å; L597-I600 PolarHBondContact O-N 3.18Å; L598-I600 PolarHBondContact O-N 3.34Å |
| 601 | W | 96.9 | Very high | 95.1 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 5% | 0.045 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -76.7 | 133 | 177 | -159.2 | -83.5 | 0 | 0 | 0 | 110 | C568 R569 P573 L576 L579 L597 L598 K603 Y625 | C568-W601 HydrophobicContact CB-CH2 4.21Å; R569-W601 HydrophobicContact CB-CD2 4.46Å; R569-W601 HydrophobicContact CB-CE3 3.84Å; R569-W601 HydrophobicContact CB-CH2 3.98Å; R569-W601 HydrophobicContact CB-CZ3 3.57Å; R569-W601 HydrophobicContact CG-CD2 4.12Å; R569-W601 HydrophobicContact CG-CE3 3.8Å; R569-W601 HydrophobicContact CG-CZ3 4.09Å; P573-W601 VanDerWaalsContact O-CZ2 3.3Å; P573-W601 WeakPolarHBondContact O-CZ2 3.22Å; P573-W601 PolarHBondContact O-NE1 3.12Å; L576-W601 HydrophobicContact CB-CZ2 3.81Å; L576-W601 HydrophobicContact CD1-CD2 3.94Å; L576-W601 HydrophobicContact CD1-CE3 4.18Å; L576-W601 HydrophobicContact CD1-CG 4.41Å; L576-W601 HydrophobicContact CD1-CH2 4.41Å; L576-W601 HydrophobicContact CD1-CZ2 4.19Å; L576-W601 HydrophobicContact CD1-CZ3 4.4Å; L576-W601 HydrophobicContact CD2-CG 4.24Å; L579-W601 HydrophobicContact CD2-CE3 4.26Å; L579-W601 HydrophobicContact CD2-CH2 3.54Å; L579-W601 HydrophobicContact CD2-CZ3 3.3Å; L597-W601 HydrophobicContact CD1-CE3 4.3Å; L597-W601 HydrophobicContact CD1-CZ3 4.47Å; L597-W601 HydrophobicContact CD2-CE3 4.38Å; L597-W601 HydrophobicContact CD2-CZ3 4.05Å; L597-W601 HydrophobicContact CG-CE3 3.95Å; L597-W601 HydrophobicContact CG-CZ3 4.11Å; L597-W601 PolarHBondContact O-N 3.45Å; L597-W601 VanDerWaalsContact O-N 3.1Å; L598-W601 WeakPolarHBondContact O-CB 3.33Å; L598-W601 PolarHBondContact O-N 3.22Å; L598-W601 VanDerWaalsContact O-N 3.13Å; W601-K603 PolarHBondContact O-N 3.32Å; W601-Y625 HydrophobicContact CB-CE2 4.42Å |
| 602 | P | 96.2 | Very high | 95.1 | Very high | 60 Ų | 60 | 35 Ų | 35 | 39% | 0.39 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -63.8 | 132 | 176.8 | -19.6 | 31.2 | 0 | 0 | 0 | 111.3 | P573 L604 Y625 | P573-P602 HydrophobicContact CB-CB 4.33Å; P573-P602 HydrophobicContact CB-CG 4.26Å; P573-P602 HydrophobicContact CG-CG 4.26Å; P602-L604 PolarHBondContact O-N 3.47Å; P602-Y625 VanDerWaalsContact C-OH 3.31Å; P602-Y625 PolarHBondContact O-OH 2.93Å |
| 603 | K | 95.7 | Very high | 95.2 | Very high | 121 Ų | 121 | 35 Ų | 35 | 53% | 0.526 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -47.7 | 131.3 | 176.5 | -79.6 | -159.6 | -179.8 | -164.5 | 0 | 111.4 | W601 Y625 G628 D632 | W601-K603 PolarHBondContact O-N 3.32Å; K603-Y625 VanDerWaalsContact CA-OH 3.23Å; K603-Y625 WeakPolarHBondContact CA-OH 3.42Å; K603-G628 PolarHBondContact NZ-O 3.11Å; K603-D632 WeakPolarHBondContact CD-OD2 3.3Å; K603-D632 IonicContact NZ-OD1 2.65Å; K603-D632 PolarHBondContact NZ-OD1 3.14Å; K603-D632 IonicContact NZ-OD2 2.8Å; K603-D632 PolarHBondContact NZ-OD2 3.37Å |
| 604 | L | 95.8 | Very high | 95 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 6% | 0.063 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 160.4 | 173.6 | -58 | -174.5 | 0 | 0 | 0 | 110.4 | P573 L576 P602 D608 A609 L612 Y625 | P573-L604 VanDerWaalsContact O-CD2 3.24Å; P573-L604 WeakPolarHBondContact O-CD2 3.39Å; L576-L604 HydrophobicContact CB-CD1 4.3Å; L576-L604 HydrophobicContact CD2-CD1 4.29Å; P602-L604 PolarHBondContact O-N 3.47Å; L604-D608 HydrophobicContact CB-CB 4.34Å; L604-D608 HydrophobicContact CD1-CB 4.48Å; L604-A609 HydrophobicContact CB-CB 4.4Å; L604-L612 HydrophobicContact CD1-CD1 3.89Å; L604-Y625 HydrophobicContact CD1-CE1 4.37Å; L604-Y625 HydrophobicContact CG-CE1 4.11Å; L604-Y625 PolarHBondContact N-OH 3.02Å |
| 605 | C | 94.6 | Very high | 94.6 | Very high | 59 Ų | 59 | 34.7 Ų | 34.7 | 40% | 0.399 | 18% | 0.181 | S | C | . | . | P | Polyproline II helix | trans | -64.5 | 151.2 | 166.3 | 85.9 | 0 | 0 | 0 | 0 | 109.7 | R607 D608 A609 | C605-R607 PolarHBondContact O-N 3.31Å; C605-D608 PolarHBondContact O-N 3.1Å; C605-D608 PolarHBondContact SG-N 3.28Å; C605-D608 VanDerWaalsContact SG-N 3.41Å; C605-D608 PolarHBondContact SG-OD2 3.03Å; C605-A609 PolarHBondContact O-N 3.36Å |
| 606 | P | 94.7 | Very high | 94.4 | Very high | 23 Ų | 23 | 36.5 Ų | 36.5 | 15% | 0.149 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.3 | -34.4 | -176.8 | -25.2 | 33.6 | 0 | 0 | 0 | 113.9 | A609 L610 L630 M633 | P606-A609 PolarHBondContact O-N 3.01Å; P606-L610 PolarHBondContact O-N 3.43Å; P606-L630 HydrophobicContact CB-CD2 4.24Å; P606-L630 WeakPolarHBondContact O-CD2 3.34Å; P606-M633 HydrophobicContact CB-CB 3.98Å; P606-M633 HydrophobicContact CB-CE 3.46Å; P606-M633 VanDerWaalsContact CB-CE 3.46Å; P606-M633 HydrophobicContact CB-CG 4.38Å; P606-M633 HydrophobicContact CG-CB 4.17Å |
| 607 | R | 93.6 | Very high | 94.4 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 19% | 0.192 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.9 | -41.1 | 178.2 | -64.9 | -178.5 | -175.6 | -178.5 | 3.8 | 112.4 | C605 L610 E637 Y641 E838 L1008 | C605-R607 PolarHBondContact O-N 3.31Å; R607-L610 WeakPolarHBondContact O-CB 3.3Å; R607-E637 WeakPolarHBondContact CG-OE1 3.38Å; R607-E637 IonicContact CZ-OE1 3.13Å; R607-E637 IonicContact NE-OE1 3.23Å; R607-E637 PolarHBondContact NE-OE1 3.08Å; R607-E637 IonicContact NH2-OE1 3.79Å; R607-E637 PolarHBondContact NH2-OE1 3.26Å; R607-Y641 HydrophobicContact CG-CE2 4.47Å; R607-Y641 PolarHBondContact NE-OH 3.01Å; R607-E838 IonicContact CZ-OE1 2.66Å; R607-E838 IonicContact CZ-OE2 3.16Å; R607-E838 IonicContact NH1-OE1 3.81Å; R607-E838 IonicContact NH1-OE2 2.83Å; R607-E838 PolarHBondContact NH1-OE2 3.33Å; R607-E838 IonicContact NH2-OE1 2.77Å; R607-E838 PolarHBondContact NH2-OE1 3.31Å; R607-E838 IonicContact NH2-OE2 2.86Å; R607-L1008 HydrophobicContact CB-CD1 4.32Å |
| 608 | D | 92.1 | Very high | 94.5 | Very high | 75 Ų | 75 | 35.8 Ų | 35.8 | 40% | 0.401 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -72.2 | -36.2 | 176.9 | -63.5 | -26.6 | 0 | 0 | 0 | 111.5 | L604 C605 L610 E611 | L604-D608 HydrophobicContact CB-CB 4.34Å; L604-D608 HydrophobicContact CD1-CB 4.48Å; C605-D608 PolarHBondContact O-N 3.1Å; C605-D608 PolarHBondContact SG-N 3.28Å; C605-D608 VanDerWaalsContact SG-N 3.41Å; C605-D608 PolarHBondContact SG-OD2 3.03Å; D608-L610 PolarHBondContact O-N 3.42Å; D608-E611 PolarHBondContact O-N 3.44Å |
| 609 | A | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.4 | -20.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L604 C605 P606 E611 L612 C629 L630 | L604-A609 HydrophobicContact CB-CB 4.4Å; C605-A609 PolarHBondContact O-N 3.36Å; P606-A609 PolarHBondContact O-N 3.01Å; A609-E611 PolarHBondContact O-N 3.18Å; A609-L612 WeakPolarHBondContact O-CB 3.16Å; A609-L612 PolarHBondContact O-N 3.18Å; A609-C629 HydrophobicContact CB-CB 3.55Å; A609-L630 HydrophobicContact CB-CD2 4.46Å |
| 610 | L | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -32.6 | 174.7 | -72 | 169.7 | 0 | 0 | 0 | 112.2 | P606 R607 D608 L612 L613 L630 Y641 L645 L1008 T1011 L1012 L1015 | P606-L610 PolarHBondContact O-N 3.43Å; R607-L610 WeakPolarHBondContact O-CB 3.3Å; D608-L610 PolarHBondContact O-N 3.42Å; L610-L612 PolarHBondContact O-N 3.36Å; L610-L613 WeakPolarHBondContact O-CB 3.45Å; L610-L613 PolarHBondContact O-N 3.32Å; L610-L630 HydrophobicContact CD2-CD1 4.48Å; L610-L630 HydrophobicContact CD2-CD2 3.93Å; L610-L630 HydrophobicContact CG-CD2 4.23Å; L610-Y641 HydrophobicContact CD1-CD1 4.19Å; L610-Y641 HydrophobicContact CD1-CD2 3.86Å; L610-Y641 HydrophobicContact CD1-CE1 4.44Å; L610-Y641 HydrophobicContact CD1-CE2 4.1Å; L610-Y641 HydrophobicContact CD1-CG 3.89Å; L610-L645 HydrophobicContact CD2-CD2 3.86Å; L610-L1008 HydrophobicContact CD1-CD1 4.1Å; L610-T1011 HydrophobicContact CB-CG2 4Å; L610-L1012 HydrophobicContact CD1-CD2 4.17Å; L610-L1015 HydrophobicContact CB-CD1 4.39Å |
| 611 | E | 95 | Very high | 94.6 | Very high | 32 Ų | 32 | 31 Ų | 31 | 15% | 0.15 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -61.7 | -37.5 | 178.7 | -167 | -170.4 | 145 | 0 | 0 | 111.2 | P577 D608 A609 L613 D614 Y617 T1011 | P577-E611 HydrophobicContact CB-CG 4.47Å; P577-E611 WeakPolarHBondContact CB-OE1 3.37Å; D608-E611 PolarHBondContact O-N 3.44Å; A609-E611 PolarHBondContact O-N 3.18Å; E611-L613 PolarHBondContact O-N 3.46Å; E611-D614 WeakPolarHBondContact O-CB 3.43Å; E611-D614 PolarHBondContact O-N 2.89Å; E611-Y617 HydrophobicContact CG-CE2 4.01Å; E611-Y617 WeakPolarHBondContact O-CD2 3.49Å; E611-Y617 WeakPolarHBondContact O-CE2 3.38Å; E611-Y617 PolarHBondContact OE1-OH 3.41Å; E611-T1011 HydrophobicContact CB-CG2 4.06Å |
| 612 | L | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -68.5 | -3.2 | -179.3 | -57.7 | -178.9 | 0 | 0 | 0 | 114 | L576 P577 L580 L604 A609 L610 Y617 V622 Y625 A626 | L576-L612 HydrophobicContact CD2-CD1 3.9Å; L576-L612 HydrophobicContact CG-CD1 4.49Å; P577-L612 HydrophobicContact CB-CD2 4.08Å; P577-L612 HydrophobicContact CG-CD2 3.82Å; L580-L612 HydrophobicContact CD1-CD2 3.54Å; L604-L612 HydrophobicContact CD1-CD1 3.89Å; A609-L612 WeakPolarHBondContact O-CB 3.16Å; A609-L612 PolarHBondContact O-N 3.18Å; L610-L612 PolarHBondContact O-N 3.36Å; L612-Y617 HydrophobicContact CD2-CD1 4.29Å; L612-Y617 HydrophobicContact CD2-CE1 4.38Å; L612-Y617 HydrophobicContact CD2-CG 4.37Å; L612-Y617 WeakPolarHBondContact O-CB 3.5Å; L612-V622 HydrophobicContact CB-CG1 4.23Å; L612-V622 HydrophobicContact CD2-CG1 4.4Å; L612-Y625 HydrophobicContact CD1-CD1 4Å; L612-Y625 HydrophobicContact CD1-CE1 4.13Å; L612-A626 HydrophobicContact CB-CB 3.7Å; L612-A626 HydrophobicContact CD1-CB 4.34Å |
| 613 | L | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -98.9 | -1.4 | 173.7 | -69.1 | -175.7 | 0 | 0 | 0 | 113.3 | L610 E611 R623 A626 V627 L630 L645 V648 L659 L1015 | L610-L613 WeakPolarHBondContact O-CB 3.45Å; L610-L613 PolarHBondContact O-N 3.32Å; E611-L613 PolarHBondContact O-N 3.46Å; L613-R623 HydrophobicContact CD2-CB 4.44Å; L613-R623 HydrophobicContact CD2-CG 4.29Å; L613-R623 PolarHBondContact O-NH2 2.99Å; L613-A626 HydrophobicContact CD2-CB 3.98Å; L613-A626 HydrophobicContact CG-CB 4.19Å; L613-V627 HydrophobicContact CD2-CG2 4.45Å; L613-L630 HydrophobicContact CD1-CD1 3.6Å; L613-L645 HydrophobicContact CD1-CD2 3.53Å; L613-V648 HydrophobicContact CB-CG1 3.9Å; L613-V648 HydrophobicContact CB-CG2 4.09Å; L613-V648 WeakPolarHBondContact O-CG1 3.47Å; L613-L659 HydrophobicContact CD1-CD1 4.36Å; L613-L1015 HydrophobicContact CB-CD2 4.49Å |
| 614 | D | 91.3 | Very high | 94.8 | Very high | 10 Ų | 10 | 26.1 Ų | 26.1 | 5% | 0.053 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -67.3 | 165 | 174.3 | -174.2 | 30.6 | 0 | 0 | 0 | 112.6 | E611 N616 Y617 R623 L1015 | E611-D614 WeakPolarHBondContact O-CB 3.43Å; E611-D614 PolarHBondContact O-N 2.89Å; D614-N616 PolarHBondContact O-N 3.45Å; D614-N616 VanDerWaalsContact O-N 3.15Å; D614-N616 PolarHBondContact OD2-ND2 3.26Å; D614-Y617 HydrophobicContact CB-CD2 4.12Å; D614-Y617 HydrophobicContact CB-CE2 4.33Å; D614-Y617 PolarHBondContact O-N 3.39Å; D614-Y617 VanDerWaalsContact O-N 3.09Å; D614-R623 PolarHBondContact O-NH2 3.48Å; D614-L1015 HydrophobicContact CB-CD2 3.87Å |
| 615 | F | 88 | Confident | 94.9 | Very high | 19 Ų | 19 | 27 Ų | 27 | 8% | 0.083 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.7 | 178 | 55.3 | -103.4 | 0 | 0 | 0 | 113.7 | G362 T363 I479 Y617 Y651 L1017 V1027 | G362-F615 VanDerWaalsContact CA-O 3.29Å; G362-F615 WeakPolarHBondContact CA-O 3.38Å; T363-F615 HydrophobicContact CG2-CD2 3.37Å; T363-F615 HydrophobicContact CG2-CE2 3.56Å; I479-F615 HydrophobicContact CD1-CD2 4.31Å; I479-F615 HydrophobicContact CD1-CE2 4.31Å; I479-F615 HydrophobicContact CD1-CG 4.43Å; I479-F615 HydrophobicContact CD1-CZ 4.44Å; I479-F615 HydrophobicContact CG1-CD2 4.4Å; I479-F615 HydrophobicContact CG1-CG 4.39Å; I479-F615 HydrophobicContact CG2-CD1 4.5Å; F615-Y617 PolarHBondContact O-N 3.17Å; F615-Y651 HydrophobicContact CB-CD1 3.9Å; F615-Y651 HydrophobicContact CB-CE1 3.71Å; F615-Y651 HydrophobicContact CB-CG 4.42Å; F615-Y651 HydrophobicContact CD1-CE1 4.08Å; F615-Y651 AromaticContact CD1-CZ 3.86Å; F615-Y651 HydrophobicContact CG-CE1 4.38Å; F615-L1017 HydrophobicContact CE1-CD1 3.71Å; F615-L1017 HydrophobicContact CZ-CD1 4.27Å; F615-V1027 HydrophobicContact CZ-CG2 4.34Å |
| 616 | N | 90.8 | Very high | 95.1 | Very high | 45 Ų | 45 | 24.2 Ų | 24.2 | 24% | 0.241 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -19.9 | 176.4 | -70.3 | -47.5 | 0 | 0 | 0 | 113 | T363 L581 D614 P618 | T363-N616 PolarHBondContact OG1-OD1 3.32Å; L581-N616 HydrophobicContact CD2-CB 4.18Å; D614-N616 PolarHBondContact O-N 3.45Å; D614-N616 VanDerWaalsContact O-N 3.15Å; D614-N616 PolarHBondContact OD2-ND2 3.26Å; N616-P618 VanDerWaalsContact C-CD 3.47Å; N616-P618 VanDerWaalsContact O-CD 3.25Å; N616-P618 WeakPolarHBondContact O-CD 3.27Å |
| 617 | Y | 94.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 23.3 Ų | 23.3 | 3% | 0.027 | 11% | 0.109 | C | C | . | . | trans | -121.7 | 72.5 | -173.8 | -48.5 | -75.2 | 0 | 0 | 0 | 110.6 | P577 L580 L581 E611 L612 D614 F615 D619 R623 | P577-Y617 HydrophobicContact CB-CE1 4.18Å; P577-Y617 WeakPolarHBondContact CB-OH 3.39Å; L580-Y617 HydrophobicContact CB-CD1 3.91Å; L580-Y617 HydrophobicContact CB-CE1 3.88Å; L580-Y617 HydrophobicContact CD1-CD1 3.86Å; L580-Y617 HydrophobicContact CD1-CE1 4.21Å; L581-Y617 HydrophobicContact CD2-CE1 4.18Å; L581-Y617 HydrophobicContact CG-CE1 4.05Å; E611-Y617 HydrophobicContact CG-CE2 4.01Å; E611-Y617 WeakPolarHBondContact O-CD2 3.49Å; E611-Y617 WeakPolarHBondContact O-CE2 3.38Å; E611-Y617 PolarHBondContact OE1-OH 3.41Å; L612-Y617 HydrophobicContact CD2-CD1 4.29Å; L612-Y617 HydrophobicContact CD2-CE1 4.38Å; L612-Y617 HydrophobicContact CD2-CG 4.37Å; L612-Y617 WeakPolarHBondContact O-CB 3.5Å; D614-Y617 HydrophobicContact CB-CD2 4.12Å; D614-Y617 HydrophobicContact CB-CE2 4.33Å; D614-Y617 PolarHBondContact O-N 3.39Å; D614-Y617 VanDerWaalsContact O-N 3.09Å; F615-Y617 PolarHBondContact O-N 3.17Å; Y617-D619 VanDerWaalsContact C-N 3.35Å; Y617-R623 PolarHBondContact O-NE 2.85Å | ||
| 618 | P | 95.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 21.9 Ų | 21.9 | 7% | 0.071 | 11% | 0.11 | C | C | . | . | trans | -82.2 | -12.5 | -176.4 | 38.8 | -43.1 | 0 | 0 | 0 | 113.2 | H361 M400 N616 Q620 | H361-P618 VanDerWaalsContact CD2-CG 3.49Å; H361-P618 WeakPolarHBondContact CD2-CG 3.37Å; H361-P618 VanDerWaalsContact NE2-CG 3.33Å; H361-P618 WeakPolarHBondContact NE2-CG 3.44Å; M400-P618 HydrophobicContact CB-CB 4.34Å; M400-P618 WeakPolarHBondContact CE-O 3.45Å; M400-P618 VanDerWaalsContact CG-O 3.31Å; M400-P618 WeakPolarHBondContact CG-O 3.36Å; N616-P618 VanDerWaalsContact C-CD 3.47Å; N616-P618 VanDerWaalsContact O-CD 3.25Å; N616-P618 WeakPolarHBondContact O-CD 3.27Å; P618-Q620 PolarHBondContact O-N 3.02Å | ||
| 619 | D | 96.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 18.3 Ų | 18.3 | 4% | 0.037 | 9% | 0.091 | C | C | . | . | trans | -59.8 | 134.8 | -175.2 | -178.9 | -102.9 | 0 | 0 | 0 | 112.1 | W585 Q595 Y617 Y621 V622 R623 | W585-D619 HydrophobicContact CH2-CB 3.55Å; W585-D619 HydrophobicContact CZ2-CB 4.4Å; W585-D619 HydrophobicContact CZ3-CB 3.95Å; Q595-D619 PolarHBondContact NE2-OD1 3.28Å; Q595-D619 PolarHBondContact NE2-OD2 3.45Å; Y617-D619 VanDerWaalsContact C-N 3.35Å; D619-Y621 PolarHBondContact O-N 3.33Å; D619-Y621 PolarHBondContact OD1-N 2.9Å; D619-V622 HydrophobicContact CB-CB 4.06Å; D619-V622 HydrophobicContact CB-CG2 3.84Å; D619-V622 PolarHBondContact O-N 3.18Å; D619-V622 PolarHBondContact OD1-N 3.27Å; D619-V622 VanDerWaalsContact OD1-N 3.1Å; D619-R623 WeakPolarHBondContact O-CG 3.34Å; D619-R623 PolarHBondContact O-N 2.9Å | ||
| 620 | Q | 95 | Very high | 95.8 | Very high | 67 Ų | 67 | 18.3 Ų | 18.3 | 31% | 0.313 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -62 | -43.8 | -174.1 | -179.4 | -176.9 | -21.6 | 0 | 0 | 111.7 | M400 P618 R623 E624 | M400-Q620 HydrophobicContact CE-CB 4.45Å; M400-Q620 HydrophobicContact SD-CB 4.4Å; P618-Q620 PolarHBondContact O-N 3.02Å; Q620-R623 PolarHBondContact O-N 3.49Å; Q620-E624 WeakPolarHBondContact CG-OE1 3.45Å; Q620-E624 PolarHBondContact NE2-OE1 2.88Å; Q620-E624 WeakPolarHBondContact O-CB 3.41Å; Q620-E624 WeakPolarHBondContact O-CG 3.41Å; Q620-E624 PolarHBondContact O-N 3.42Å |
| 621 | Y | 95.9 | Very high | 95.8 | Very high | 39 Ų | 39 | 23.5 Ų | 23.5 | 15% | 0.153 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -76.1 | -32.5 | -175.8 | -60 | -69.1 | 0 | 0 | 0 | 111.9 | F511 I514 Q595 D619 E624 Y625 | F511-Y621 HydrophobicContact CD2-CD1 4.15Å; F511-Y621 AromaticContact CD2-CE1 3.57Å; F511-Y621 HydrophobicContact CD2-CE1 3.57Å; F511-Y621 HydrophobicContact CD2-CE2 4.12Å; F511-Y621 AromaticContact CD2-CZ 3.54Å; F511-Y621 HydrophobicContact CE2-CD1 4.17Å; F511-Y621 HydrophobicContact CE2-CE1 4.05Å; F511-Y621 HydrophobicContact CE2-CG 4.46Å; F511-Y621 HydrophobicContact CG-CE1 4.26Å; I514-Y621 HydrophobicContact CD1-CE2 4.17Å; Q595-Y621 HydrophobicContact CG-CD2 4.39Å; D619-Y621 PolarHBondContact O-N 3.33Å; D619-Y621 PolarHBondContact OD1-N 2.9Å; Y621-E624 PolarHBondContact O-N 3.08Å; Y621-Y625 WeakPolarHBondContact O-CB 3.23Å; Y621-Y625 PolarHBondContact O-N 2.84Å |
| 622 | V | 97.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 169.5 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | L580 L598 L612 D619 Y625 A626 | L580-V622 HydrophobicContact CD1-CG1 3.63Å; L580-V622 HydrophobicContact CD1-CG2 4.08Å; L580-V622 HydrophobicContact CD2-CG2 3.59Å; L598-V622 HydrophobicContact CD2-CG2 4.2Å; L612-V622 HydrophobicContact CB-CG1 4.23Å; L612-V622 HydrophobicContact CD2-CG1 4.4Å; D619-V622 HydrophobicContact CB-CB 4.06Å; D619-V622 HydrophobicContact CB-CG2 3.84Å; D619-V622 PolarHBondContact O-N 3.18Å; D619-V622 PolarHBondContact OD1-N 3.27Å; D619-V622 VanDerWaalsContact OD1-N 3.1Å; V622-Y625 WeakPolarHBondContact O-CB 3.4Å; V622-Y625 PolarHBondContact O-N 2.92Å; V622-A626 WeakPolarHBondContact O-CB 3.46Å; V622-A626 PolarHBondContact O-N 2.93Å |
| 623 | R | 97.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 27.1 Ų | 27.1 | 3% | 0.034 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.4 | -38.3 | 177.7 | -71.6 | -173.1 | 167.5 | -111.5 | -9.7 | 112.7 | L613 D614 Y617 D619 Q620 A626 V627 V648 E652 | L613-R623 HydrophobicContact CD2-CB 4.44Å; L613-R623 HydrophobicContact CD2-CG 4.29Å; L613-R623 PolarHBondContact O-NH2 2.99Å; D614-R623 PolarHBondContact O-NH2 3.48Å; Y617-R623 PolarHBondContact O-NE 2.85Å; D619-R623 WeakPolarHBondContact O-CG 3.34Å; D619-R623 PolarHBondContact O-N 2.9Å; Q620-R623 PolarHBondContact O-N 3.49Å; R623-A626 PolarHBondContact O-N 3.47Å; R623-V627 WeakPolarHBondContact O-CG2 3.38Å; R623-V627 PolarHBondContact O-N 3.31Å; R623-V648 VanDerWaalsContact NH1-CG1 3.3Å; R623-E652 WeakPolarHBondContact CD-OE1 3.33Å; R623-E652 IonicContact CZ-OE1 2.94Å; R623-E652 IonicContact NE-OE1 3.85Å; R623-E652 IonicContact NH1-OE1 2.71Å; R623-E652 PolarHBondContact NH1-OE1 3.18Å |
| 624 | E | 97.3 | Very high | 95.2 | Very high | 81 Ų | 81 | 29.7 Ų | 29.7 | 38% | 0.379 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61 | -43.4 | 172.2 | -77.5 | 172.4 | -166.5 | 0 | 0 | 111.8 | Q620 Y621 V627 G628 A658 | Q620-E624 WeakPolarHBondContact CG-OE1 3.45Å; Q620-E624 PolarHBondContact NE2-OE1 2.88Å; Q620-E624 WeakPolarHBondContact O-CB 3.41Å; Q620-E624 WeakPolarHBondContact O-CG 3.41Å; Q620-E624 PolarHBondContact O-N 3.42Å; Y621-E624 PolarHBondContact O-N 3.08Å; E624-V627 PolarHBondContact O-N 3.4Å; E624-G628 PolarHBondContact O-N 3.24Å; E624-A658 HydrophobicContact CG-CB 3.89Å |
| 625 | Y | 98 | Very high | 95.2 | Very high | 31 Ų | 31 | 31.1 Ų | 31.1 | 12% | 0.122 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 174.2 | 173.6 | -88.5 | 0 | 0 | 0 | 112 | L576 L598 W601 P602 K603 L604 L612 Y621 V622 V627 G628 C629 | L576-Y625 HydrophobicContact CD2-CD1 4Å; L576-Y625 HydrophobicContact CD2-CE1 3.53Å; L598-Y625 HydrophobicContact CD1-CD1 4.06Å; L598-Y625 HydrophobicContact CD1-CD2 3.92Å; L598-Y625 HydrophobicContact CD1-CE2 4.37Å; L598-Y625 HydrophobicContact CD1-CG 3.76Å; L598-Y625 HydrophobicContact CG-CD2 4.27Å; L598-Y625 HydrophobicContact CG-CG 4.28Å; W601-Y625 HydrophobicContact CB-CE2 4.42Å; P602-Y625 VanDerWaalsContact C-OH 3.31Å; P602-Y625 PolarHBondContact O-OH 2.93Å; K603-Y625 VanDerWaalsContact CA-OH 3.23Å; K603-Y625 WeakPolarHBondContact CA-OH 3.42Å; L604-Y625 HydrophobicContact CD1-CE1 4.37Å; L604-Y625 HydrophobicContact CG-CE1 4.11Å; L604-Y625 PolarHBondContact N-OH 3.02Å; L612-Y625 HydrophobicContact CD1-CD1 4Å; L612-Y625 HydrophobicContact CD1-CE1 4.13Å; Y621-Y625 WeakPolarHBondContact O-CB 3.23Å; Y621-Y625 PolarHBondContact O-N 2.84Å; V622-Y625 WeakPolarHBondContact O-CB 3.4Å; V622-Y625 PolarHBondContact O-N 2.92Å; Y625-V627 PolarHBondContact O-N 3Å; Y625-G628 CarbonylContact O-C 3.54Å; Y625-G628 WeakPolarHBondContact O-CA 3.41Å; Y625-G628 PolarHBondContact O-N 3.23Å; Y625-G628 VanDerWaalsContact O-N 3.08Å; Y625-C629 PolarHBondContact O-N 3.39Å; Y625-C629 PolarHBondContact O-SG 3.42Å |
| 626 | A | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.3 | -50 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L612 L613 V622 R623 G628 C629 L630 | L612-A626 HydrophobicContact CB-CB 3.7Å; L612-A626 HydrophobicContact CD1-CB 4.34Å; L613-A626 HydrophobicContact CD2-CB 3.98Å; L613-A626 HydrophobicContact CG-CB 4.19Å; V622-A626 WeakPolarHBondContact O-CB 3.46Å; V622-A626 PolarHBondContact O-N 2.93Å; R623-A626 PolarHBondContact O-N 3.47Å; A626-G628 VanDerWaalsContact C-N 3.26Å; A626-G628 PolarHBondContact O-N 3.04Å; A626-C629 WeakPolarHBondContact O-CA 3.36Å; A626-C629 WeakPolarHBondContact O-CB 3.26Å; A626-C629 PolarHBondContact O-N 3.37Å; A626-L630 WeakPolarHBondContact O-CG 3.42Å; A626-L630 PolarHBondContact O-N 3.19Å |
| 627 | V | 98.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.8 | -36.7 | 174.5 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | L613 R623 E624 Y625 C629 L630 R631 A658 L659 F662 | L613-V627 HydrophobicContact CD2-CG2 4.45Å; R623-V627 WeakPolarHBondContact O-CG2 3.38Å; R623-V627 PolarHBondContact O-N 3.31Å; E624-V627 PolarHBondContact O-N 3.4Å; Y625-V627 PolarHBondContact O-N 3Å; V627-C629 PolarHBondContact O-N 3.16Å; V627-L630 PolarHBondContact O-N 3.22Å; V627-R631 WeakPolarHBondContact O-CG 3.44Å; V627-R631 PolarHBondContact O-N 3.48Å; V627-A658 HydrophobicContact CB-CB 4.17Å; V627-A658 HydrophobicContact CG1-CB 4.24Å; V627-A658 HydrophobicContact CG2-CB 4.1Å; V627-L659 HydrophobicContact CG2-CB 4.16Å; V627-L659 HydrophobicContact CG2-CD1 4.38Å; V627-F662 HydrophobicContact CG1-CB 3.6Å; V627-F662 HydrophobicContact CG1-CD2 4.37Å; V627-F662 HydrophobicContact CG1-CG 4.01Å |
| 628 | G | 97.8 | Very high | 95 | Very high | 21 Ų | 21 | 32.6 Ų | 32.6 | 22% | 0.216 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.2 | -29.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K603 E624 Y625 A626 | K603-G628 PolarHBondContact NZ-O 3.11Å; E624-G628 PolarHBondContact O-N 3.24Å; Y625-G628 CarbonylContact O-C 3.54Å; Y625-G628 WeakPolarHBondContact O-CA 3.41Å; Y625-G628 PolarHBondContact O-N 3.23Å; Y625-G628 VanDerWaalsContact O-N 3.08Å; A626-G628 VanDerWaalsContact C-N 3.26Å; A626-G628 PolarHBondContact O-N 3.04Å |
| 629 | C | 97.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -79 | -42 | 171.6 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | A609 Y625 A626 V627 R631 D632 | A609-C629 HydrophobicContact CB-CB 3.55Å; Y625-C629 PolarHBondContact O-N 3.39Å; Y625-C629 PolarHBondContact O-SG 3.42Å; A626-C629 WeakPolarHBondContact O-CA 3.36Å; A626-C629 WeakPolarHBondContact O-CB 3.26Å; A626-C629 PolarHBondContact O-N 3.37Å; V627-C629 PolarHBondContact O-N 3.16Å; C629-R631 PolarHBondContact O-N 3.48Å; C629-R631 VanDerWaalsContact O-N 3.16Å; C629-D632 PolarHBondContact O-N 3.36Å |
| 630 | L | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -22.1 | 177.5 | -62.1 | -176.9 | 0 | 0 | 0 | 113.7 | P606 A609 L610 L613 A626 V627 D632 M633 L645 F662 | P606-L630 HydrophobicContact CB-CD2 4.24Å; P606-L630 WeakPolarHBondContact O-CD2 3.34Å; A609-L630 HydrophobicContact CB-CD2 4.46Å; L610-L630 HydrophobicContact CD2-CD1 4.48Å; L610-L630 HydrophobicContact CD2-CD2 3.93Å; L610-L630 HydrophobicContact CG-CD2 4.23Å; L613-L630 HydrophobicContact CD1-CD1 3.6Å; A626-L630 WeakPolarHBondContact O-CG 3.42Å; A626-L630 PolarHBondContact O-N 3.19Å; V627-L630 PolarHBondContact O-N 3.22Å; L630-D632 PolarHBondContact O-N 3.21Å; L630-M633 HydrophobicContact CD2-CE 3.74Å; L630-M633 WeakPolarHBondContact O-CB 3.37Å; L630-M633 PolarHBondContact O-N 3.01Å; L630-M633 VanDerWaalsContact O-N 3.11Å; L630-L645 HydrophobicContact CD1-CD2 3.92Å; L630-F662 HydrophobicContact CB-CE1 4.23Å; L630-F662 HydrophobicContact CB-CE2 4.37Å; L630-F662 HydrophobicContact CB-CZ 3.94Å; L630-F662 HydrophobicContact CD1-CE1 4.47Å |
| 631 | R | 96.1 | Very high | 94.7 | Very high | 109 Ų | 109 | 32 Ų | 32 | 41% | 0.411 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22.7 | 173 | -76.6 | 175.6 | 179.9 | -74.8 | -4.5 | 113.6 | V627 C629 M633 F662 E665 | V627-R631 WeakPolarHBondContact O-CG 3.44Å; V627-R631 PolarHBondContact O-N 3.48Å; C629-R631 PolarHBondContact O-N 3.48Å; C629-R631 VanDerWaalsContact O-N 3.16Å; R631-M633 VanDerWaalsContact C-N 3.3Å; R631-F662 HydrophobicContact CG-CD2 3.97Å; R631-F662 HydrophobicContact CG-CE2 4.15Å; R631-E665 IonicContact CZ-OE2 2.77Å; R631-E665 IonicContact NH1-OE1 2.71Å; R631-E665 PolarHBondContact NH1-OE1 3.26Å; R631-E665 IonicContact NH1-OE2 2.67Å; R631-E665 PolarHBondContact NH1-OE2 2.92Å; R631-E665 IonicContact NH2-OE2 3.41Å; R631-E665 PolarHBondContact NH2-OE2 3.2Å; R631-E665 VanDerWaalsContact NH2-OE2 3.1Å |
| 632 | D | 94.1 | Very high | 94.8 | Very high | 101 Ų | 101 | 30.2 Ų | 30.2 | 54% | 0.54 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -4.4 | 178.8 | -56.7 | -22.8 | 0 | 0 | 0 | 112.1 | K603 C629 L630 | K603-D632 WeakPolarHBondContact CD-OD2 3.3Å; K603-D632 IonicContact NZ-OD1 2.65Å; K603-D632 PolarHBondContact NZ-OD1 3.14Å; K603-D632 IonicContact NZ-OD2 2.8Å; K603-D632 PolarHBondContact NZ-OD2 3.37Å; C629-D632 PolarHBondContact O-N 3.36Å; L630-D632 PolarHBondContact O-N 3.21Å |
| 633 | M | 92.4 | Very high | 94.7 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -78.4 | 137.5 | 178.7 | -171.7 | -176.6 | -76.1 | 0 | 0 | 112.5 | P606 L630 R631 E637 L638 Y641 R666 | P606-M633 HydrophobicContact CB-CB 3.98Å; P606-M633 HydrophobicContact CB-CE 3.46Å; P606-M633 VanDerWaalsContact CB-CE 3.46Å; P606-M633 HydrophobicContact CB-CG 4.38Å; P606-M633 HydrophobicContact CG-CB 4.17Å; L630-M633 HydrophobicContact CD2-CE 3.74Å; L630-M633 WeakPolarHBondContact O-CB 3.37Å; L630-M633 PolarHBondContact O-N 3.01Å; L630-M633 VanDerWaalsContact O-N 3.11Å; R631-M633 VanDerWaalsContact C-N 3.3Å; M633-E637 HydrophobicContact CE-CG 4.28Å; M633-E637 HydrophobicContact CG-CB 3.62Å; M633-E637 HydrophobicContact CG-CG 3.61Å; M633-E637 WeakPolarHBondContact CG-OE2 3.49Å; M633-E637 HydrophobicContact SD-CB 4.29Å; M633-E637 HydrophobicContact SD-CG 3.96Å; M633-L638 HydrophobicContact CG-CB 4.38Å; M633-L638 WeakPolarHBondContact SD-CA 3.46Å; M633-L638 HydrophobicContact SD-CB 3.85Å; M633-L638 HydrophobicContact SD-CD1 4.28Å; M633-L638 PolarHBondContact SD-N 3.2Å; M633-L638 VanDerWaalsContact SD-N 3.35Å; M633-Y641 HydrophobicContact CE-CD2 3.56Å; M633-Y641 HydrophobicContact CE-CE2 3.8Å; M633-Y641 HydrophobicContact SD-CD2 3.84Å; M633-Y641 HydrophobicContact SD-CE2 4.31Å; M633-R666 PolarHBondContact O-NH1 3.49Å; M633-R666 PolarHBondContact O-NH2 3.36Å |
| 634 | S | 90.4 | Very high | 94.7 | Very high | 55 Ų | 55 | 30.1 Ų | 30.1 | 39% | 0.385 | 16% | 0.157 | S | C | . | . | trans | -66.4 | 164.5 | 174.4 | 95.9 | 0 | 0 | 0 | 0 | 112.5 | E636 E637 L638 R666 | S634-E636 VanDerWaalsContact C-N 3.3Å; S634-E636 WeakPolarHBondContact CB-OE2 3.44Å; S634-E636 PolarHBondContact OG-N 3.07Å; S634-E636 PolarHBondContact OG-OE2 3.49Å; S634-E637 PolarHBondContact OG-N 2.76Å; S634-L638 VanDerWaalsContact O-CB 3.3Å; S634-L638 WeakPolarHBondContact O-CB 3.41Å; S634-L638 PolarHBondContact O-N 3.44Å; S634-R666 PolarHBondContact O-NH2 2.81Å | ||
| 635 | D | 90.1 | Very high | 94.7 | Very high | 40 Ų | 40 | 26.3 Ų | 26.3 | 21% | 0.214 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.7 | -32.2 | 177.9 | -79 | -13.4 | 0 | 0 | 0 | 112.2 | S639 R666 N670 I673 | D635-S639 WeakPolarHBondContact O-CB 3.45Å; D635-S639 PolarHBondContact O-N 2.84Å; D635-S639 PolarHBondContact O-OG 2.97Å; D635-R666 VanDerWaalsContact CA-NH2 3.31Å; D635-R666 VanDerWaalsContact N-NH2 3.2Å; D635-R666 IonicContact OD1-CZ 2.85Å; D635-R666 IonicContact OD1-NE 3.24Å; D635-R666 PolarHBondContact OD1-NE 2.84Å; D635-R666 IonicContact OD1-NH2 2.64Å; D635-R666 PolarHBondContact OD1-NH2 3.21Å; D635-N670 WeakPolarHBondContact OD2-CB 3.42Å; D635-N670 PolarHBondContact OD2-ND2 3.32Å; D635-I673 HydrophobicContact CB-CD1 3.63Å; D635-I673 VanDerWaalsContact CG-CD1 3.48Å; D635-I673 WeakPolarHBondContact OD1-CD1 3.46Å |
| 636 | E | 86 | Confident | 94.7 | Very high | 62 Ų | 62 | 24.8 Ų | 24.8 | 29% | 0.29 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -67.5 | -45.5 | 175.9 | -61.6 | 70.3 | -153.1 | 0 | 0 | 111.4 | S634 S639 Q640 | S634-E636 VanDerWaalsContact C-N 3.3Å; S634-E636 WeakPolarHBondContact CB-OE2 3.44Å; S634-E636 PolarHBondContact OG-N 3.07Å; S634-E636 PolarHBondContact OG-OE2 3.49Å; E636-S639 WeakPolarHBondContact O-CB 3.42Å; E636-S639 PolarHBondContact O-N 3.42Å; E636-Q640 PolarHBondContact O-N 3.2Å |
| 637 | E | 90.1 | Very high | 94.6 | Very high | 40 Ų | 40 | 24.9 Ų | 24.9 | 19% | 0.187 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.6 | -41.5 | 176.8 | -174.2 | 173.4 | -149.1 | 0 | 0 | 110.7 | R607 M633 S634 S639 Q640 Y641 | R607-E637 WeakPolarHBondContact CG-OE1 3.38Å; R607-E637 IonicContact CZ-OE1 3.13Å; R607-E637 IonicContact NE-OE1 3.23Å; R607-E637 PolarHBondContact NE-OE1 3.08Å; R607-E637 IonicContact NH2-OE1 3.79Å; R607-E637 PolarHBondContact NH2-OE1 3.26Å; M633-E637 HydrophobicContact CE-CG 4.28Å; M633-E637 HydrophobicContact CG-CB 3.62Å; M633-E637 HydrophobicContact CG-CG 3.61Å; M633-E637 WeakPolarHBondContact CG-OE2 3.49Å; M633-E637 HydrophobicContact SD-CB 4.29Å; M633-E637 HydrophobicContact SD-CG 3.96Å; S634-E637 PolarHBondContact OG-N 2.76Å; E637-S639 VanDerWaalsContact C-N 3.27Å; E637-S639 PolarHBondContact O-N 2.87Å; E637-Q640 WeakPolarHBondContact O-CA 3.36Å; E637-Q640 VanDerWaalsContact O-CB 3.3Å; E637-Q640 WeakPolarHBondContact O-CB 3.44Å; E637-Q640 PolarHBondContact O-N 3.49Å; E637-Y641 HydrophobicContact CG-CD2 4.26Å; E637-Y641 HydrophobicContact CG-CE2 3.54Å; E637-Y641 WeakPolarHBondContact O-CD2 3.49Å |
| 638 | L | 94.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.4 | -40.8 | 173.4 | 175.7 | 60.3 | 0 | 0 | 0 | 111.7 | M633 S634 Q640 Y641 L642 L645 F662 R666 I673 | M633-L638 HydrophobicContact CG-CB 4.38Å; M633-L638 WeakPolarHBondContact SD-CA 3.46Å; M633-L638 HydrophobicContact SD-CB 3.85Å; M633-L638 HydrophobicContact SD-CD1 4.28Å; M633-L638 PolarHBondContact SD-N 3.2Å; M633-L638 VanDerWaalsContact SD-N 3.35Å; S634-L638 VanDerWaalsContact O-CB 3.3Å; S634-L638 WeakPolarHBondContact O-CB 3.41Å; S634-L638 PolarHBondContact O-N 3.44Å; L638-Q640 PolarHBondContact O-N 2.95Å; L638-Y641 PolarHBondContact O-N 2.71Å; L638-L642 PolarHBondContact O-N 2.8Å; L638-L645 HydrophobicContact CD1-CD1 3.33Å; L638-F662 HydrophobicContact CD1-CE1 3.83Å; L638-F662 HydrophobicContact CD1-CZ 4.06Å; L638-F662 HydrophobicContact CD2-CE1 4.31Å; L638-F662 HydrophobicContact CD2-CZ 4.08Å; L638-R666 HydrophobicContact CD2-CB 3.68Å; L638-R666 HydrophobicContact CD2-CG 3.7Å; L638-I673 HydrophobicContact CD2-CD1 3.92Å; L638-I673 HydrophobicContact CD2-CG2 4.46Å; L638-I673 HydrophobicContact CG-CD1 4.48Å |
| 639 | S | 91.8 | Very high | 94.3 | Very high | 42 Ų | 42 | 23.8 Ų | 23.8 | 29% | 0.294 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -61.1 | -25.5 | 176.3 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | D635 E636 E637 Y641 | D635-S639 WeakPolarHBondContact O-CB 3.45Å; D635-S639 PolarHBondContact O-N 2.84Å; D635-S639 PolarHBondContact O-OG 2.97Å; E636-S639 WeakPolarHBondContact O-CB 3.42Å; E636-S639 PolarHBondContact O-N 3.42Å; E637-S639 VanDerWaalsContact C-N 3.27Å; E637-S639 PolarHBondContact O-N 2.87Å; S639-Y641 VanDerWaalsContact C-N 3.34Å |
| 640 | Q | 92.4 | Very high | 94.1 | Very high | 28 Ų | 28 | 25.4 Ų | 25.4 | 13% | 0.131 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -73.4 | -23.1 | 174.6 | -58.6 | -49.3 | -48.5 | 0 | 0 | 113.2 | E636 E637 L638 Q827 L834 | E636-Q640 PolarHBondContact O-N 3.2Å; E637-Q640 WeakPolarHBondContact O-CA 3.36Å; E637-Q640 VanDerWaalsContact O-CB 3.3Å; E637-Q640 WeakPolarHBondContact O-CB 3.44Å; E637-Q640 PolarHBondContact O-N 3.49Å; L638-Q640 PolarHBondContact O-N 2.95Å; Q640-Q827 PolarHBondContact O-NE2 2.78Å; Q640-L834 HydrophobicContact CG-CD1 4.32Å |
| 641 | Y | 95.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -117.7 | 0.2 | -174.7 | -48.4 | -50.6 | 0 | 0 | 0 | 113.5 | R607 L610 M633 E637 L638 S639 L643 Q644 L645 L831 L1008 L1012 | R607-Y641 HydrophobicContact CG-CE2 4.47Å; R607-Y641 PolarHBondContact NE-OH 3.01Å; L610-Y641 HydrophobicContact CD1-CD1 4.19Å; L610-Y641 HydrophobicContact CD1-CD2 3.86Å; L610-Y641 HydrophobicContact CD1-CE1 4.44Å; L610-Y641 HydrophobicContact CD1-CE2 4.1Å; L610-Y641 HydrophobicContact CD1-CG 3.89Å; M633-Y641 HydrophobicContact CE-CD2 3.56Å; M633-Y641 HydrophobicContact CE-CE2 3.8Å; M633-Y641 HydrophobicContact SD-CD2 3.84Å; M633-Y641 HydrophobicContact SD-CE2 4.31Å; E637-Y641 HydrophobicContact CG-CD2 4.26Å; E637-Y641 HydrophobicContact CG-CE2 3.54Å; E637-Y641 WeakPolarHBondContact O-CD2 3.49Å; L638-Y641 PolarHBondContact O-N 2.71Å; S639-Y641 VanDerWaalsContact C-N 3.34Å; Y641-L643 PolarHBondContact O-N 2.86Å; Y641-Q644 PolarHBondContact O-N 3.49Å; Y641-Q644 VanDerWaalsContact O-N 3.08Å; Y641-Q644 PolarHBondContact O-OE1 3.48Å; Y641-L645 WeakPolarHBondContact O-CG 3.43Å; Y641-L645 PolarHBondContact O-N 3.05Å; Y641-L831 HydrophobicContact CE1-CD1 4.2Å; Y641-L831 HydrophobicContact CE1-CD2 4.3Å; Y641-L1008 HydrophobicContact CE1-CD1 4.35Å; Y641-L1012 HydrophobicContact CD1-CD1 4.08Å; Y641-L1012 HydrophobicContact CD1-CD2 3.53Å; Y641-L1012 HydrophobicContact CD1-CG 4.44Å; Y641-L1012 HydrophobicContact CE1-CD1 3.96Å; Y641-L1012 HydrophobicContact CE1-CD2 4.12Å; Y641-L1012 HydrophobicContact CG-CD2 4.3Å |
| 642 | L | 97.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56 | -36.6 | -176.2 | -174.4 | 63.1 | 0 | 0 | 0 | 112.5 | L638 L645 V646 L663 I673 F676 L677 | L638-L642 PolarHBondContact O-N 2.8Å; L642-L645 PolarHBondContact O-N 3.5Å; L642-V646 WeakPolarHBondContact O-CG2 3.3Å; L642-V646 PolarHBondContact O-N 3.48Å; L642-L663 HydrophobicContact CD1-CD2 3.87Å; L642-I673 HydrophobicContact CD1-CG2 4.44Å; L642-I673 HydrophobicContact CD2-CG2 4.32Å; L642-F676 HydrophobicContact CD2-CB 3.74Å; L642-L677 HydrophobicContact CD1-CD1 4.49Å |
| 643 | L | 96.4 | Very high | 93.4 | Very high | 9 Ų | 9 | 17 Ų | 17 | 5% | 0.047 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.3 | -50.3 | 177.2 | -179.2 | 58.9 | 0 | 0 | 0 | 111.2 | Y641 V646 Q647 M823 L824 Q827 M1016 | Y641-L643 PolarHBondContact O-N 2.86Å; L643-V646 PolarHBondContact O-N 3.32Å; L643-Q647 WeakPolarHBondContact O-CG 3.44Å; L643-Q647 PolarHBondContact O-N 2.99Å; L643-M823 HydrophobicContact CD1-CE 3.41Å; L643-M823 VanDerWaalsContact CD1-CE 3.41Å; L643-M823 HydrophobicContact CD2-CE 3.92Å; L643-M823 HydrophobicContact CD2-CG 4.46Å; L643-M823 HydrophobicContact CG-CE 4.32Å; L643-L824 HydrophobicContact CD2-CB 4.29Å; L643-L824 HydrophobicContact CD2-CD1 4.38Å; L643-Q827 VanDerWaalsContact CD2-OE1 3.29Å; L643-M1016 HydrophobicContact CD2-CE 3.9Å; L643-M1016 HydrophobicContact CD2-SD 4.29Å; L643-M1016 HydrophobicContact CG-CE 3.99Å; L643-M1016 HydrophobicContact CG-SD 3.97Å |
| 644 | Q | 97 | Very high | 93.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.5 | -43.7 | 179.5 | -70.5 | 69.5 | 27.8 | 0 | 0 | 111 | Y641 V646 Q647 V648 Q827 L1012 L1015 M1016 | Y641-Q644 PolarHBondContact O-N 3.49Å; Y641-Q644 VanDerWaalsContact O-N 3.08Å; Y641-Q644 PolarHBondContact O-OE1 3.48Å; Q644-V646 VanDerWaalsContact C-N 3.28Å; Q644-V646 PolarHBondContact O-N 3.2Å; Q644-Q647 CarbonylContact O-C 3.43Å; Q644-Q647 WeakPolarHBondContact O-CA 3.43Å; Q644-Q647 WeakPolarHBondContact O-CB 3.28Å; Q644-Q647 PolarHBondContact O-N 3.4Å; Q644-V648 WeakPolarHBondContact O-CG2 3.29Å; Q644-V648 PolarHBondContact O-N 3.11Å; Q644-Q827 VanDerWaalsContact CD-NE2 3.29Å; Q644-L1012 HydrophobicContact CB-CD2 4.41Å; Q644-L1012 HydrophobicContact CG-CB 4.22Å; Q644-L1012 HydrophobicContact CG-CD2 3.82Å; Q644-L1012 WeakPolarHBondContact CG-O 3.18Å; Q644-L1015 HydrophobicContact CB-CB 3.93Å; Q644-L1015 HydrophobicContact CB-CD1 3.99Å; Q644-L1015 HydrophobicContact CG-CB 4.13Å; Q644-M1016 HydrophobicContact CG-CG 3.93Å; Q644-M1016 HydrophobicContact CG-SD 3.99Å |
| 645 | L | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.4 | -34.8 | 179.6 | -66 | 174.3 | 0 | 0 | 0 | 112.4 | L610 L613 L630 L638 Y641 L642 Q647 V648 L649 L659 F662 L663 | L610-L645 HydrophobicContact CD2-CD2 3.86Å; L613-L645 HydrophobicContact CD1-CD2 3.53Å; L630-L645 HydrophobicContact CD1-CD2 3.92Å; L638-L645 HydrophobicContact CD1-CD1 3.33Å; Y641-L645 WeakPolarHBondContact O-CG 3.43Å; Y641-L645 PolarHBondContact O-N 3.05Å; L642-L645 PolarHBondContact O-N 3.5Å; L645-Q647 VanDerWaalsContact C-N 3.34Å; L645-V648 PolarHBondContact O-N 2.91Å; L645-L649 PolarHBondContact O-N 3.47Å; L645-L659 HydrophobicContact CD2-CD1 4.17Å; L645-F662 HydrophobicContact CD1-CE1 4.36Å; L645-L663 HydrophobicContact CB-CD1 4.41Å; L645-L663 HydrophobicContact CB-CD2 4.07Å; L645-L663 HydrophobicContact CD1-CD2 4.18Å |
| 646 | V | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.5 | -38.6 | 171.1 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L642 L643 Q644 V648 L649 L677 H680 L681 F694 | L642-V646 WeakPolarHBondContact O-CG2 3.3Å; L642-V646 PolarHBondContact O-N 3.48Å; L643-V646 PolarHBondContact O-N 3.32Å; Q644-V646 VanDerWaalsContact C-N 3.28Å; Q644-V646 PolarHBondContact O-N 3.2Å; V646-V648 VanDerWaalsContact C-N 3.33Å; V646-L649 WeakPolarHBondContact O-CB 3.42Å; V646-L649 PolarHBondContact O-N 2.84Å; V646-L677 HydrophobicContact CG2-CD1 3.61Å; V646-H680 HydrophobicContact CB-CB 4.36Å; V646-H680 HydrophobicContact CG1-CB 4.1Å; V646-H680 HydrophobicContact CG2-CB 4.06Å; V646-L681 HydrophobicContact CG1-CD2 3.89Å; V646-L681 HydrophobicContact CG1-CG 4.42Å; V646-F694 HydrophobicContact CG1-CE2 4.48Å; V646-F694 HydrophobicContact CG1-CZ 4.17Å |
| 647 | Q | 95.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.009 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.1 | -32.4 | 175.8 | -60.1 | -48.5 | -50.6 | 0 | 0 | 112.7 | L643 Q644 L645 L649 R650 E684 M1016 A1019 | L643-Q647 WeakPolarHBondContact O-CG 3.44Å; L643-Q647 PolarHBondContact O-N 2.99Å; Q644-Q647 CarbonylContact O-C 3.43Å; Q644-Q647 WeakPolarHBondContact O-CA 3.43Å; Q644-Q647 WeakPolarHBondContact O-CB 3.28Å; Q644-Q647 PolarHBondContact O-N 3.4Å; L645-Q647 VanDerWaalsContact C-N 3.34Å; Q647-L649 PolarHBondContact O-N 3.4Å; Q647-R650 WeakPolarHBondContact O-CB 3.48Å; Q647-R650 VanDerWaalsContact O-CG 3.24Å; Q647-R650 WeakPolarHBondContact O-CG 3.44Å; Q647-R650 PolarHBondContact O-N 3.45Å; Q647-R650 VanDerWaalsContact OE1-CZ 3.26Å; Q647-E684 PolarHBondContact NE2-OE2 2.92Å; Q647-E684 PolarHBondContact OE1-OE2 2.82Å; Q647-M1016 HydrophobicContact CB-SD 4.31Å; Q647-M1016 HydrophobicContact CG-CE 4.05Å; Q647-M1016 HydrophobicContact CG-SD 3.56Å; Q647-M1016 VanDerWaalsContact CG-SD 3.56Å; Q647-A1019 HydrophobicContact CG-CB 4.08Å |
| 648 | V | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61 | -31.1 | 175.7 | 170.8 | 0 | 0 | 0 | 0 | 112.5 | L613 R623 Q644 L645 V646 R650 Y651 E652 L659 L1015 | L613-V648 HydrophobicContact CB-CG1 3.9Å; L613-V648 HydrophobicContact CB-CG2 4.09Å; L613-V648 WeakPolarHBondContact O-CG1 3.47Å; R623-V648 VanDerWaalsContact NH1-CG1 3.3Å; Q644-V648 WeakPolarHBondContact O-CG2 3.29Å; Q644-V648 PolarHBondContact O-N 3.11Å; L645-V648 PolarHBondContact O-N 2.91Å; V646-V648 VanDerWaalsContact C-N 3.33Å; V648-R650 PolarHBondContact O-N 2.93Å; V648-Y651 HydrophobicContact CG1-CD2 4.48Å; V648-Y651 WeakPolarHBondContact O-CB 3.48Å; V648-Y651 PolarHBondContact O-N 3.5Å; V648-E652 PolarHBondContact O-N 2.74Å; V648-L659 HydrophobicContact CB-CD2 3.74Å; V648-L659 HydrophobicContact CG1-CD2 3.34Å; V648-L1015 HydrophobicContact CG2-CB 4.28Å; V648-L1015 HydrophobicContact CG2-CD1 4.22Å; V648-L1015 HydrophobicContact CG2-CD2 3.81Å; V648-L1015 HydrophobicContact CG2-CG 4.3Å |
| 649 | L | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -25.1 | 175.3 | -65.5 | 169.2 | 0 | 0 | 0 | 112.1 | L645 V646 Q647 Y651 E652 L659 T660 L663 L681 Q693 F694 I697 | L645-L649 PolarHBondContact O-N 3.47Å; V646-L649 WeakPolarHBondContact O-CB 3.42Å; V646-L649 PolarHBondContact O-N 2.84Å; Q647-L649 PolarHBondContact O-N 3.4Å; L649-Y651 VanDerWaalsContact C-N 3.27Å; L649-Y651 PolarHBondContact O-N 2.78Å; L649-E652 WeakPolarHBondContact O-CB 3.46Å; L649-E652 PolarHBondContact O-N 2.85Å; L649-L659 HydrophobicContact CD2-CB 4.43Å; L649-L659 HydrophobicContact CD2-CD2 3.98Å; L649-L659 HydrophobicContact CD2-CG 4Å; L649-L659 HydrophobicContact CG-CD2 4.31Å; L649-T660 WeakPolarHBondContact CD2-OG1 3.49Å; L649-L663 HydrophobicContact CD1-CD1 3.92Å; L649-L663 HydrophobicContact CD2-CD1 4.28Å; L649-L663 HydrophobicContact CG-CD1 4.18Å; L649-L681 HydrophobicContact CD1-CD2 4.24Å; L649-Q693 PolarHBondContact O-NE2 3.07Å; L649-Q693 PolarHBondContact O-OE1 3.02Å; L649-F694 HydrophobicContact CB-CE1 4.16Å; L649-F694 HydrophobicContact CD1-CE1 4.43Å; L649-I697 HydrophobicContact CD1-CD1 3.72Å; L649-I697 HydrophobicContact CD2-CD1 4.34Å |
| 650 | R | 91.7 | Very high | 95.3 | Very high | 35 Ų | 35 | 12.2 Ų | 12.2 | 13% | 0.132 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -25.1 | 175.2 | -56.5 | -177 | 175.5 | -143.4 | 2.4 | 113.7 | Q647 V648 E684 V690 F694 T1018 | Q647-R650 WeakPolarHBondContact O-CB 3.48Å; Q647-R650 VanDerWaalsContact O-CG 3.24Å; Q647-R650 WeakPolarHBondContact O-CG 3.44Å; Q647-R650 PolarHBondContact O-N 3.45Å; Q647-R650 VanDerWaalsContact OE1-CZ 3.26Å; V648-R650 PolarHBondContact O-N 2.93Å; R650-E684 IonicContact CZ-OE2 3.28Å; R650-E684 IonicContact NE-OE2 2.86Å; R650-E684 IonicContact NH2-OE1 2.86Å; R650-E684 PolarHBondContact NH2-OE1 3.13Å; R650-E684 VanDerWaalsContact NH2-OE1 3.12Å; R650-E684 IonicContact NH2-OE2 3.01Å; R650-E684 PolarHBondContact NH2-OE2 3.33Å; R650-V690 HydrophobicContact CG-CG1 3.81Å; R650-F694 HydrophobicContact CG-CZ 4.39Å; R650-T1018 PolarHBondContact NH1-O 2.85Å |
| 651 | Y | 88.5 | Confident | 95.5 | Very high | 9 Ų | 9 | 13 Ų | 13 | 4% | 0.035 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -25.7 | 175.5 | -60.8 | -52.6 | 0 | 0 | 0 | 112.2 | R402 I479 F615 V648 L649 P653 T1018 | R402-Y651 PolarHBondContact NH1-O 2.87Å; I479-Y651 HydrophobicContact CG2-CE1 3.83Å; F615-Y651 HydrophobicContact CB-CD1 3.9Å; F615-Y651 HydrophobicContact CB-CE1 3.71Å; F615-Y651 HydrophobicContact CB-CG 4.42Å; F615-Y651 HydrophobicContact CD1-CE1 4.08Å; F615-Y651 AromaticContact CD1-CZ 3.86Å; F615-Y651 HydrophobicContact CG-CE1 4.38Å; V648-Y651 HydrophobicContact CG1-CD2 4.48Å; V648-Y651 WeakPolarHBondContact O-CB 3.48Å; V648-Y651 PolarHBondContact O-N 3.5Å; L649-Y651 VanDerWaalsContact C-N 3.27Å; L649-Y651 PolarHBondContact O-N 2.78Å; Y651-P653 WeakPolarHBondContact O-CD 3.46Å; Y651-T1018 HydrophobicContact CD1-CG2 3.92Å; Y651-T1018 HydrophobicContact CE1-CG2 3.07Å; Y651-T1018 VanDerWaalsContact CZ-CG2 3.47Å; Y651-T1018 VanDerWaalsContact CZ-OG1 3.23Å; Y651-T1018 WeakPolarHBondContact OH-CG2 3.4Å; Y651-T1018 PolarHBondContact OH-OG1 3.06Å |
| 652 | E | 93.3 | Very high | 95.6 | Very high | 17 Ų | 17 | 13 Ų | 13 | 8% | 0.079 | 7% | 0.067 | C | C | . | . | trans | -63.5 | 121.5 | -178.6 | -65.2 | -67.4 | 168.3 | 0 | 0 | 110.6 | R623 V648 L649 Y654 C657 | R623-E652 WeakPolarHBondContact CD-OE1 3.33Å; R623-E652 IonicContact CZ-OE1 2.94Å; R623-E652 IonicContact NE-OE1 3.85Å; R623-E652 IonicContact NH1-OE1 2.71Å; R623-E652 PolarHBondContact NH1-OE1 3.18Å; V648-E652 PolarHBondContact O-N 2.74Å; L649-E652 WeakPolarHBondContact O-CB 3.46Å; L649-E652 PolarHBondContact O-N 2.85Å; E652-Y654 VanDerWaalsContact C-N 3.31Å; E652-C657 HydrophobicContact CG-CB 4.41Å | ||
| 653 | P | 91.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 13 Ų | 13 | 5% | 0.052 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -78.5 | -17.7 | -177.2 | 29.3 | -32.8 | 0 | 0 | 0 | 113.4 | M400 M447 I482 Y651 | M400-P653 HydrophobicContact CE-CG 3.3Å; M400-P653 HydrophobicContact SD-CG 4.38Å; M447-P653 HydrophobicContact CE-CB 3.9Å; M447-P653 HydrophobicContact CE-CG 4.09Å; M447-P653 HydrophobicContact CG-CB 3.76Å; M447-P653 HydrophobicContact SD-CB 3.55Å; M447-P653 VanDerWaalsContact SD-CB 3.55Å; M447-P653 HydrophobicContact SD-CG 4.35Å; I482-P653 VanDerWaalsContact CD1-O 3.28Å; I482-P653 WeakPolarHBondContact CD1-O 3.49Å; I482-P653 HydrophobicContact CG1-CB 4.23Å; Y651-P653 WeakPolarHBondContact O-CD 3.46Å |
| 654 | Y | 94.9 | Very high | 95.7 | Very high | 22 Ų | 22 | 12.9 Ų | 12.9 | 9% | 0.086 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -127.2 | 150 | -177.8 | -53.2 | -59.1 | 0 | 0 | 0 | 110.4 | E141 R399 M400 M447 F449 D450 E652 | E141-Y654 WeakPolarHBondContact OE1-CA 3.38Å; E141-Y654 VanDerWaalsContact OE1-CB 3.3Å; E141-Y654 WeakPolarHBondContact OE1-CB 3.26Å; R399-Y654 PolarHBondContact NH1-OH 3.34Å; M400-Y654 HydrophobicContact CE-CE2 4.3Å; M400-Y654 HydrophobicContact SD-CE2 4.02Å; M447-Y654 HydrophobicContact CG-CE1 4.31Å; F449-Y654 PolarHBondContact O-OH 2.96Å; D450-Y654 PolarHBondContact O-OH 2.8Å; D450-Y654 VanDerWaalsContact O-OH 3.12Å; E652-Y654 VanDerWaalsContact C-N 3.31Å |
| 655 | Y | 95.2 | Very high | 95.6 | Very high | 9 Ų | 9 | 15.1 Ų | 15.1 | 4% | 0.035 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -70.9 | -39 | -178.4 | -54.6 | -49 | 0 | 0 | 0 | 112 | E141 V142 F145 Q483 C657 T660 Q693 L696 | E141-Y655 HydrophobicContact CB-CD2 4.45Å; E141-Y655 HydrophobicContact CG-CD2 3.84Å; E141-Y655 HydrophobicContact CG-CE2 4.39Å; E141-Y655 PolarHBondContact OE1-N 2.73Å; V142-Y655 HydrophobicContact CG2-CD2 4.26Å; V142-Y655 HydrophobicContact CG2-CE2 3.57Å; F145-Y655 VanDerWaalsContact CE2-O 3.24Å; F145-Y655 WeakPolarHBondContact CE2-O 3.42Å; Q483-Y655 PolarHBondContact NE2-OH 3.37Å; Q483-Y655 PolarHBondContact OE1-OH 3.01Å; Y655-C657 PolarHBondContact O-N 3.06Å; Y655-T660 PolarHBondContact O-OG1 3.4Å; Y655-Q693 HydrophobicContact CD1-CB 4.01Å; Y655-Q693 HydrophobicContact CD1-CG 3.96Å; Y655-Q693 HydrophobicContact CE1-CB 3.88Å; Y655-Q693 HydrophobicContact CE1-CG 4.32Å; Y655-L696 HydrophobicContact CD1-CD1 4.2Å; Y655-L696 HydrophobicContact CD2-CD1 3.86Å; Y655-L696 HydrophobicContact CE1-CD1 4.39Å; Y655-L696 HydrophobicContact CE2-CD1 4.06Å; Y655-L696 HydrophobicContact CG-CD1 3.94Å |
| 656 | D | 95.6 | Very high | 95.5 | Very high | 67 Ų | 67 | 16.1 Ų | 16.1 | 36% | 0.358 | 8% | 0.081 | S | C | . | . | S | Bend | trans | -86.5 | 77.4 | 180 | -168.6 | 17.4 | 0 | 0 | 0 | 111.2 | F145 K148 H661 | F145-D656 HydrophobicContact CD2-CB 4Å; K148-D656 WeakPolarHBondContact CD-OD2 3.44Å; K148-D656 IonicContact NZ-OD1 3.61Å; K148-D656 PolarHBondContact NZ-OD1 2.9Å; K148-D656 IonicContact NZ-OD2 3.05Å; K148-D656 PolarHBondContact NZ-OD2 3.12Å; D656-H661 IonicContact OD1-CD2 2.76Å; D656-H661 IonicContact OD1-CE1 3.65Å; D656-H661 IonicContact OD1-NE2 2.85Å; D656-H661 PolarHBondContact OD1-NE2 3.22Å |
| 657 | C | 95.7 | Very high | 95.4 | Very high | 14 Ų | 14 | 16.2 Ų | 16.2 | 10% | 0.095 | 8% | 0.082 | C | C | . | . | trans | -122 | 159.3 | -179.8 | 71.3 | 0 | 0 | 0 | 0 | 112.5 | E652 Y655 L659 T660 H661 | E652-C657 HydrophobicContact CG-CB 4.41Å; Y655-C657 PolarHBondContact O-N 3.06Å; C657-L659 PolarHBondContact O-N 3.42Å; C657-T660 PolarHBondContact O-N 2.8Å; C657-T660 VanDerWaalsContact O-N 3.14Å; C657-T660 PolarHBondContact SG-N 2.78Å; C657-T660 PolarHBondContact SG-OG1 3.44Å; C657-H661 PolarHBondContact O-CD2 3.25Å; C657-H661 VanDerWaalsContact O-CD2 3.26Å; C657-H661 PolarHBondContact O-N 2.65Å | ||
| 658 | A | 97.4 | Very high | 95.1 | Very high | 29 Ų | 29 | 17.7 Ų | 17.7 | 24% | 0.24 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -56.3 | -36.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E624 V627 H661 F662 | E624-A658 HydrophobicContact CG-CB 3.89Å; V627-A658 HydrophobicContact CB-CB 4.17Å; V627-A658 HydrophobicContact CG1-CB 4.24Å; V627-A658 HydrophobicContact CG2-CB 4.1Å; A658-H661 PolarHBondContact O-N 3.23Å; A658-F662 WeakPolarHBondContact O-CB 3.5Å; A658-F662 PolarHBondContact O-N 2.87Å |
| 659 | L | 98 | Very high | 94.8 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.5 | -43.5 | 178.7 | -178.2 | 61.7 | 0 | 0 | 0 | 112.1 | L613 V627 L645 V648 L649 C657 H661 F662 L663 | L613-L659 HydrophobicContact CD1-CD1 4.36Å; V627-L659 HydrophobicContact CG2-CB 4.16Å; V627-L659 HydrophobicContact CG2-CD1 4.38Å; L645-L659 HydrophobicContact CD2-CD1 4.17Å; V648-L659 HydrophobicContact CB-CD2 3.74Å; V648-L659 HydrophobicContact CG1-CD2 3.34Å; L649-L659 HydrophobicContact CD2-CB 4.43Å; L649-L659 HydrophobicContact CD2-CD2 3.98Å; L649-L659 HydrophobicContact CD2-CG 4Å; L649-L659 HydrophobicContact CG-CD2 4.31Å; C657-L659 PolarHBondContact O-N 3.42Å; L659-H661 VanDerWaalsContact C-N 3.32Å; L659-H661 PolarHBondContact O-N 2.9Å; L659-F662 HydrophobicContact CD1-CD1 4.22Å; L659-F662 PolarHBondContact O-N 3.38Å; L659-L663 HydrophobicContact CD1-CD1 4.11Å; L659-L663 HydrophobicContact CD1-CG 4.02Å; L659-L663 HydrophobicContact CG-CD1 4.04Å; L659-L663 HydrophobicContact CG-CG 4.35Å; L659-L663 WeakPolarHBondContact O-CB 3.33Å; L659-L663 WeakPolarHBondContact O-CG 3.34Å; L659-L663 PolarHBondContact O-N 3.01Å |
| 660 | T | 97.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.8 | -45.8 | 174.9 | -65.3 | 0 | 0 | 0 | 0 | 111 | F145 L649 Y655 C657 L664 I697 | F145-T660 HydrophobicContact CE2-CG2 3.97Å; F145-T660 HydrophobicContact CZ-CG2 3.95Å; L649-T660 WeakPolarHBondContact CD2-OG1 3.49Å; Y655-T660 PolarHBondContact O-OG1 3.4Å; C657-T660 PolarHBondContact O-N 2.8Å; C657-T660 VanDerWaalsContact O-N 3.14Å; C657-T660 PolarHBondContact SG-N 2.78Å; C657-T660 PolarHBondContact SG-OG1 3.44Å; T660-L664 HydrophobicContact CG2-CD1 3.86Å; T660-L664 WeakPolarHBondContact O-CB 3.3Å; T660-L664 WeakPolarHBondContact O-CG 3.43Å; T660-L664 PolarHBondContact O-N 2.96Å; T660-I697 HydrophobicContact CG2-CD1 4.19Å; T660-I697 HydrophobicContact CG2-CG1 3.96Å |
| 661 | H | 97.3 | Very high | 94.4 | Very high | 45 Ų | 45 | 25.5 Ų | 25.5 | 21% | 0.208 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.1 | -47 | 176.1 | -78.2 | -79.5 | 0 | 0 | 0 | 112.2 | K148 M149 D656 C657 A658 L659 L664 E665 | K148-H661 PolarHBondContact NZ-NE2 2.81Å; M149-H661 WeakPolarHBondContact CE-CE1 3.38Å; D656-H661 IonicContact OD1-CD2 2.76Å; D656-H661 IonicContact OD1-CE1 3.65Å; D656-H661 IonicContact OD1-NE2 2.85Å; D656-H661 PolarHBondContact OD1-NE2 3.22Å; C657-H661 PolarHBondContact O-CD2 3.25Å; C657-H661 VanDerWaalsContact O-CD2 3.26Å; C657-H661 PolarHBondContact O-N 2.65Å; A658-H661 PolarHBondContact O-N 3.23Å; L659-H661 VanDerWaalsContact C-N 3.32Å; L659-H661 PolarHBondContact O-N 2.9Å; H661-L664 PolarHBondContact O-N 3.24Å; H661-E665 WeakPolarHBondContact O-CB 3.48Å; H661-E665 PolarHBondContact O-N 2.99Å |
| 662 | F | 98.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.4 | -48 | 179.4 | 168.7 | -104.3 | 0 | 0 | 0 | 112.2 | V627 L630 R631 L638 L645 A658 L659 E665 R666 | V627-F662 HydrophobicContact CG1-CB 3.6Å; V627-F662 HydrophobicContact CG1-CD2 4.37Å; V627-F662 HydrophobicContact CG1-CG 4.01Å; L630-F662 HydrophobicContact CB-CE1 4.23Å; L630-F662 HydrophobicContact CB-CE2 4.37Å; L630-F662 HydrophobicContact CB-CZ 3.94Å; L630-F662 HydrophobicContact CD1-CE1 4.47Å; R631-F662 HydrophobicContact CG-CD2 3.97Å; R631-F662 HydrophobicContact CG-CE2 4.15Å; L638-F662 HydrophobicContact CD1-CE1 3.83Å; L638-F662 HydrophobicContact CD1-CZ 4.06Å; L638-F662 HydrophobicContact CD2-CE1 4.31Å; L638-F662 HydrophobicContact CD2-CZ 4.08Å; L645-F662 HydrophobicContact CD1-CE1 4.36Å; A658-F662 WeakPolarHBondContact O-CB 3.5Å; A658-F662 PolarHBondContact O-N 2.87Å; L659-F662 HydrophobicContact CD1-CD1 4.22Å; L659-F662 PolarHBondContact O-N 3.38Å; F662-E665 PolarHBondContact O-N 2.85Å; F662-R666 HydrophobicContact CD2-CG 4.04Å; F662-R666 HydrophobicContact CE2-CG 3.74Å; F662-R666 HydrophobicContact CZ-CG 4.02Å; F662-R666 WeakPolarHBondContact O-CB 3.43Å; F662-R666 VanDerWaalsContact O-CG 3.23Å; F662-R666 WeakPolarHBondContact O-CG 3.44Å; F662-R666 PolarHBondContact O-N 3.46Å |
| 663 | L | 98.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.7 | -43.9 | -179.7 | -69.7 | 177.3 | 0 | 0 | 0 | 111.7 | L642 L645 L649 L659 R666 A667 L677 | L642-L663 HydrophobicContact CD1-CD2 3.87Å; L645-L663 HydrophobicContact CB-CD1 4.41Å; L645-L663 HydrophobicContact CB-CD2 4.07Å; L645-L663 HydrophobicContact CD1-CD2 4.18Å; L649-L663 HydrophobicContact CD1-CD1 3.92Å; L649-L663 HydrophobicContact CD2-CD1 4.28Å; L649-L663 HydrophobicContact CG-CD1 4.18Å; L659-L663 HydrophobicContact CD1-CD1 4.11Å; L659-L663 HydrophobicContact CD1-CG 4.02Å; L659-L663 HydrophobicContact CG-CD1 4.04Å; L659-L663 HydrophobicContact CG-CG 4.35Å; L659-L663 WeakPolarHBondContact O-CB 3.33Å; L659-L663 WeakPolarHBondContact O-CG 3.34Å; L659-L663 PolarHBondContact O-N 3.01Å; L663-R666 PolarHBondContact O-N 3.39Å; L663-A667 WeakPolarHBondContact O-CB 3.49Å; L663-A667 PolarHBondContact O-N 3.24Å; L663-L677 HydrophobicContact CB-CD2 4.39Å |
| 664 | L | 97.3 | Very high | 94.9 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.1 | -48.1 | 175.4 | -75.4 | 171.9 | 0 | 0 | 0 | 111.2 | M149 T660 H661 R666 A667 E668 I697 A700 | M149-L664 HydrophobicContact SD-CD1 3.77Å; T660-L664 HydrophobicContact CG2-CD1 3.86Å; T660-L664 WeakPolarHBondContact O-CB 3.3Å; T660-L664 WeakPolarHBondContact O-CG 3.43Å; T660-L664 PolarHBondContact O-N 2.96Å; H661-L664 PolarHBondContact O-N 3.24Å; L664-R666 VanDerWaalsContact C-N 3.31Å; L664-R666 PolarHBondContact O-N 3.39Å; L664-A667 PolarHBondContact O-N 3.5Å; L664-E668 WeakPolarHBondContact O-CB 3.37Å; L664-E668 WeakPolarHBondContact O-CG 3.48Å; L664-E668 PolarHBondContact O-N 3.1Å; L664-I697 HydrophobicContact CD2-CG2 3.9Å; L664-I697 HydrophobicContact CG-CG2 4.21Å; L664-A700 HydrophobicContact CD1-CB 3.9Å; L664-A700 HydrophobicContact CD2-CB 4.25Å |
| 665 | E | 95.1 | Very high | 95 | Very high | 47 Ų | 47 | 25.5 Ų | 25.5 | 22% | 0.22 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.4 | -43.4 | 178.6 | -178.4 | -174.3 | 167.6 | 0 | 0 | 112 | R631 H661 F662 R669 | R631-E665 IonicContact CZ-OE2 2.77Å; R631-E665 IonicContact NH1-OE1 2.71Å; R631-E665 PolarHBondContact NH1-OE1 3.26Å; R631-E665 IonicContact NH1-OE2 2.67Å; R631-E665 PolarHBondContact NH1-OE2 2.92Å; R631-E665 IonicContact NH2-OE2 3.41Å; R631-E665 PolarHBondContact NH2-OE2 3.2Å; R631-E665 VanDerWaalsContact NH2-OE2 3.1Å; H661-E665 WeakPolarHBondContact O-CB 3.48Å; H661-E665 PolarHBondContact O-N 2.99Å; F662-E665 PolarHBondContact O-N 2.85Å; E665-R669 VanDerWaalsContact O-CG 3.29Å; E665-R669 WeakPolarHBondContact O-CG 3.38Å; E665-R669 PolarHBondContact O-N 2.81Å; E665-R669 IonicContact OE1-CZ 3.93Å; E665-R669 IonicContact OE1-NH1 3.23Å; E665-R669 PolarHBondContact OE1-NH1 3.32Å; E665-R669 VanDerWaalsContact OE1-NH1 3.13Å; E665-R669 IonicContact OE1-NH2 3.71Å; E665-R669 PolarHBondContact OE1-NH2 2.99Å |
| 666 | R | 94.9 | Very high | 95.2 | Very high | 20 Ų | 20 | 27 Ų | 27 | 8% | 0.075 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.6 | -46 | 178.4 | -65.4 | -69.2 | -71.4 | -91.4 | 5.6 | 112 | M633 S634 D635 L638 F662 L663 L664 E668 R669 N670 I673 | M633-R666 PolarHBondContact O-NH1 3.49Å; M633-R666 PolarHBondContact O-NH2 3.36Å; S634-R666 PolarHBondContact O-NH2 2.81Å; D635-R666 VanDerWaalsContact CA-NH2 3.31Å; D635-R666 VanDerWaalsContact N-NH2 3.2Å; D635-R666 IonicContact OD1-CZ 2.85Å; D635-R666 IonicContact OD1-NE 3.24Å; D635-R666 PolarHBondContact OD1-NE 2.84Å; D635-R666 IonicContact OD1-NH2 2.64Å; D635-R666 PolarHBondContact OD1-NH2 3.21Å; L638-R666 HydrophobicContact CD2-CB 3.68Å; L638-R666 HydrophobicContact CD2-CG 3.7Å; F662-R666 HydrophobicContact CD2-CG 4.04Å; F662-R666 HydrophobicContact CE2-CG 3.74Å; F662-R666 HydrophobicContact CZ-CG 4.02Å; F662-R666 WeakPolarHBondContact O-CB 3.43Å; F662-R666 VanDerWaalsContact O-CG 3.23Å; F662-R666 WeakPolarHBondContact O-CG 3.44Å; F662-R666 PolarHBondContact O-N 3.46Å; L663-R666 PolarHBondContact O-N 3.39Å; L664-R666 VanDerWaalsContact C-N 3.31Å; L664-R666 PolarHBondContact O-N 3.39Å; R666-E668 PolarHBondContact O-N 3.45Å; R666-R669 PolarHBondContact O-N 3.41Å; R666-N670 PolarHBondContact O-N 2.96Å; R666-I673 HydrophobicContact CB-CG2 4.41Å |
| 667 | A | 95.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 2% | 0.017 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.2 | -34.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L663 L664 I673 G674 L677 Y701 | L663-A667 WeakPolarHBondContact O-CB 3.49Å; L663-A667 PolarHBondContact O-N 3.24Å; L664-A667 PolarHBondContact O-N 3.5Å; A667-I673 HydrophobicContact CB-CG2 4.26Å; A667-G674 VanDerWaalsContact CB-CA 3.49Å; A667-L677 HydrophobicContact CB-CB 4.33Å; A667-L677 HydrophobicContact CB-CD2 3.45Å; A667-L677 VanDerWaalsContact CB-CD2 3.45Å; A667-Y701 HydrophobicContact CB-CD2 4.07Å; A667-Y701 HydrophobicContact CB-CE2 4.04Å |
| 668 | E | 90.7 | Very high | 95.5 | Very high | 34 Ų | 34 | 23.1 Ų | 23.1 | 16% | 0.159 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -78.2 | -24.9 | -179.8 | -83 | -175.7 | 168.9 | 0 | 0 | 113.3 | K156 L664 R666 Y701 G704 | K156-E668 HydrophobicContact CD-CB 3.98Å; K156-E668 HydrophobicContact CD-CG 4.16Å; K156-E668 WeakPolarHBondContact CD-OE2 3.29Å; K156-E668 WeakPolarHBondContact CE-O 3.34Å; K156-E668 PolarHBondContact NZ-O 2.91Å; L664-E668 WeakPolarHBondContact O-CB 3.37Å; L664-E668 WeakPolarHBondContact O-CG 3.48Å; L664-E668 PolarHBondContact O-N 3.1Å; R666-E668 PolarHBondContact O-N 3.45Å; E668-Y701 HydrophobicContact CG-CD2 4.42Å; E668-G704 WeakPolarHBondContact OE1-CA 3.44Å |
| 669 | R | 88.1 | Confident | 95.5 | Very high | 140 Ų | 140 | 22 Ų | 22 | 53% | 0.528 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -86.9 | -33 | 175.2 | -74.3 | 177.9 | -176.3 | 168.6 | 12.3 | 113.1 | E665 R666 | E665-R669 VanDerWaalsContact O-CG 3.29Å; E665-R669 WeakPolarHBondContact O-CG 3.38Å; E665-R669 PolarHBondContact O-N 2.81Å; E665-R669 IonicContact OE1-CZ 3.93Å; E665-R669 IonicContact OE1-NH1 3.23Å; E665-R669 PolarHBondContact OE1-NH1 3.32Å; E665-R669 VanDerWaalsContact OE1-NH1 3.13Å; E665-R669 IonicContact OE1-NH2 3.71Å; E665-R669 PolarHBondContact OE1-NH2 2.99Å; R666-R669 PolarHBondContact O-N 3.41Å |
| 670 | N | 89.8 | Confident | 95.5 | Very high | 13 Ų | 13 | 22.7 Ų | 22.7 | 7% | 0.07 | 10% | 0.097 | C | C | . | . | trans | -123.5 | 111.9 | -177.3 | -176.3 | -45.5 | 0 | 0 | 0 | 110.4 | D635 R666 K672 I673 G674 | D635-N670 WeakPolarHBondContact OD2-CB 3.42Å; D635-N670 PolarHBondContact OD2-ND2 3.32Å; R666-N670 PolarHBondContact O-N 2.96Å; N670-K672 VanDerWaalsContact C-N 3.25Å; N670-K672 PolarHBondContact O-N 3.32Å; N670-K672 WeakPolarHBondContact OD1-CB 3.36Å; N670-K672 PolarHBondContact OD1-N 2.97Å; N670-I673 HydrophobicContact CB-CB 4.23Å; N670-I673 HydrophobicContact CB-CD1 3.89Å; N670-I673 HydrophobicContact CB-CG1 4.23Å; N670-I673 PolarHBondContact O-N 2.89Å; N670-I673 VanDerWaalsContact O-N 3.16Å; N670-I673 PolarHBondContact OD1-N 3.46Å; N670-G674 PolarHBondContact O-N 2.85Å | ||
| 671 | R | 89.9 | Confident | 95.5 | Very high | 45 Ų | 45 | 22.7 Ų | 22.7 | 17% | 0.17 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60 | -32.6 | -175.8 | -173.8 | 172.4 | -64.7 | -168.5 | -2.5 | 113.4 | C172 E295 G674 H675 | C172-R671 PolarHBondContact SG-NH2 3.22Å; E295-R671 IonicContact OE1-CZ 2.65Å; E295-R671 VanDerWaalsContact OE1-CZ 3.23Å; E295-R671 IonicContact OE1-NH1 3.87Å; E295-R671 PolarHBondContact OE1-NH1 3.41Å; E295-R671 IonicContact OE1-NH2 3.93Å; E295-R671 PolarHBondContact OE1-NH2 3.1Å; E295-R671 IonicContact OE2-CZ 3.19Å; E295-R671 IonicContact OE2-NH2 3.85Å; E295-R671 PolarHBondContact OE2-NH2 3.37Å; R671-G674 PolarHBondContact O-N 2.64Å; R671-H675 VanDerWaalsContact O-CB 3.29Å; R671-H675 WeakPolarHBondContact O-CB 3.39Å; R671-H675 PolarHBondContact O-N 2.89Å |
| 672 | K | 92.1 | Very high | 95.4 | Very high | 57 Ų | 57 | 23.1 Ų | 23.1 | 25% | 0.248 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69 | -43.7 | 178.6 | -171 | 178 | -176.8 | 179.4 | 0 | 110.9 | N670 H675 F676 P773 | N670-K672 VanDerWaalsContact C-N 3.25Å; N670-K672 PolarHBondContact O-N 3.32Å; N670-K672 WeakPolarHBondContact OD1-CB 3.36Å; N670-K672 PolarHBondContact OD1-N 2.97Å; K672-H675 WeakPolarHBondContact O-CB 3.25Å; K672-H675 PolarHBondContact O-N 3.33Å; K672-F676 HydrophobicContact CG-CD2 4.19Å; K672-F676 HydrophobicContact CG-CE2 3.85Å; K672-F676 WeakPolarHBondContact O-CD2 3.36Å; K672-F676 PolarHBondContact O-N 3.45Å; K672-P773 HydrophobicContact CG-CG 4.24Å |
| 673 | I | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 173.2 | -68.4 | 167.9 | 0 | 0 | 0 | 110 | D635 L638 L642 R666 A667 N670 H675 F676 L677 | D635-I673 HydrophobicContact CB-CD1 3.63Å; D635-I673 VanDerWaalsContact CG-CD1 3.48Å; D635-I673 WeakPolarHBondContact OD1-CD1 3.46Å; L638-I673 HydrophobicContact CD2-CD1 3.92Å; L638-I673 HydrophobicContact CD2-CG2 4.46Å; L638-I673 HydrophobicContact CG-CD1 4.48Å; L642-I673 HydrophobicContact CD1-CG2 4.44Å; L642-I673 HydrophobicContact CD2-CG2 4.32Å; R666-I673 HydrophobicContact CB-CG2 4.41Å; A667-I673 HydrophobicContact CB-CG2 4.26Å; N670-I673 HydrophobicContact CB-CB 4.23Å; N670-I673 HydrophobicContact CB-CD1 3.89Å; N670-I673 HydrophobicContact CB-CG1 4.23Å; N670-I673 PolarHBondContact O-N 2.89Å; N670-I673 VanDerWaalsContact O-N 3.16Å; N670-I673 PolarHBondContact OD1-N 3.46Å; I673-H675 VanDerWaalsContact C-N 3.31Å; I673-H675 PolarHBondContact O-N 3.36Å; I673-F676 PolarHBondContact O-N 3.11Å; I673-L677 WeakPolarHBondContact O-CB 3.47Å; I673-L677 PolarHBondContact O-N 2.94Å |
| 674 | G | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.3 | -36.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A667 N670 R671 F678 Y701 | A667-G674 VanDerWaalsContact CB-CA 3.49Å; N670-G674 PolarHBondContact O-N 2.85Å; R671-G674 PolarHBondContact O-N 2.64Å; G674-F678 WeakPolarHBondContact O-CB 3.42Å; G674-F678 PolarHBondContact O-N 3.5Å; G674-Y701 VanDerWaalsContact CA-OH 3.25Å; G674-Y701 WeakPolarHBondContact CA-OH 3.42Å; G674-Y701 PolarHBondContact O-OH 2.76Å; G674-Y701 VanDerWaalsContact O-OH 3.1Å |
| 675 | H | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.7 | -51.5 | 173.3 | 177.9 | 84.8 | 0 | 0 | 0 | 111.9 | R671 K672 I673 F678 W679 Y701 H708 Q715 P770 P773 | R671-H675 VanDerWaalsContact O-CB 3.29Å; R671-H675 WeakPolarHBondContact O-CB 3.39Å; R671-H675 PolarHBondContact O-N 2.89Å; K672-H675 WeakPolarHBondContact O-CB 3.25Å; K672-H675 PolarHBondContact O-N 3.33Å; I673-H675 VanDerWaalsContact C-N 3.31Å; I673-H675 PolarHBondContact O-N 3.36Å; H675-F678 WeakPolarHBondContact O-CB 2.74Å; H675-F678 PolarHBondContact O-N 2.86Å; H675-W679 AromaticContact CD2-CD1 3.85Å; H675-W679 AromaticContact CE1-CD1 3.5Å; H675-W679 VanDerWaalsContact CE1-CD1 3.5Å; H675-W679 AromaticContact CE1-NE1 3.23Å; H675-W679 PolarHBondContact CE1-NE1 2.94Å; H675-W679 AromaticContact ND1-CD1 3.98Å; H675-W679 AromaticContact ND1-NE1 3.84Å; H675-W679 AromaticContact NE2-CD1 3.4Å; H675-W679 AromaticContact NE2-NE1 3.58Å; H675-W679 PolarHBondContact O-N 2.77Å; H675-W679 VanDerWaalsContact O-N 3.16Å; H675-Y701 PolarHBondContact N-OH 3.12Å; H675-H708 AromaticContact ND1-NE2 3.96Å; H675-Q715 PolarHBondContact CE1-NE2 3.23Å; H675-Q715 PolarHBondContact CE1-OE1 3.04Å; H675-P770 PolarHBondContact NE2-O 2.81Å; H675-P773 HydrophobicContact CB-CB 4.43Å; H675-P773 HydrophobicContact CB-CG 4.12Å |
| 676 | F | 98 | Very high | 94.4 | Very high | 39 Ų | 39 | 24.4 Ų | 24.4 | 17% | 0.171 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -73.1 | -34.3 | -179.7 | -69 | -65 | 0 | 0 | 0 | 112.7 | L642 K672 I673 F678 W679 H680 L771 L851 | L642-F676 HydrophobicContact CD2-CB 3.74Å; K672-F676 HydrophobicContact CG-CD2 4.19Å; K672-F676 HydrophobicContact CG-CE2 3.85Å; K672-F676 WeakPolarHBondContact O-CD2 3.36Å; K672-F676 PolarHBondContact O-N 3.45Å; I673-F676 PolarHBondContact O-N 3.11Å; F676-F678 VanDerWaalsContact C-N 3.31Å; F676-F678 PolarHBondContact O-N 2.85Å; F676-W679 PolarHBondContact O-N 3.09Å; F676-H680 WeakPolarHBondContact O-CB 3.28Å; F676-H680 PolarHBondContact O-CD2 3.28Å; F676-H680 PolarHBondContact O-N 3.2Å; F676-L771 WeakPolarHBondContact CZ-O 3.42Å; F676-L851 HydrophobicContact CD1-CD1 4.32Å |
| 677 | L | 98.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.6 | -46.6 | 171.7 | -179.7 | 64.6 | 0 | 0 | 0 | 110.6 | L642 V646 L663 A667 I673 W679 H680 L681 | L642-L677 HydrophobicContact CD1-CD1 4.49Å; V646-L677 HydrophobicContact CG2-CD1 3.61Å; L663-L677 HydrophobicContact CB-CD2 4.39Å; A667-L677 HydrophobicContact CB-CB 4.33Å; A667-L677 HydrophobicContact CB-CD2 3.45Å; A667-L677 VanDerWaalsContact CB-CD2 3.45Å; I673-L677 WeakPolarHBondContact O-CB 3.47Å; I673-L677 PolarHBondContact O-N 2.94Å; L677-W679 PolarHBondContact O-N 2.87Å; L677-H680 PolarHBondContact O-N 3.01Å; L677-L681 HydrophobicContact CD1-CD1 3.9Å; L677-L681 HydrophobicContact CD1-CG 4.21Å; L677-L681 HydrophobicContact CG-CD1 3.89Å; L677-L681 WeakPolarHBondContact O-CB 3.45Å; L677-L681 VanDerWaalsContact O-CG 3.27Å; L677-L681 WeakPolarHBondContact O-CG 3.21Å; L677-L681 PolarHBondContact O-N 2.84Å |
| 678 | F | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.1 | -52 | 175.4 | 173.9 | -89.4 | 0 | 0 | 0 | 111.4 | L126 G674 H675 F676 L681 R682 L698 Y701 L712 | L126-F678 HydrophobicContact CD1-CE2 4.31Å; L126-F678 HydrophobicContact CD1-CZ 3.77Å; L126-F678 HydrophobicContact CD2-CE2 3.94Å; L126-F678 HydrophobicContact CD2-CZ 4.23Å; L126-F678 HydrophobicContact CG-CE2 3.8Å; L126-F678 HydrophobicContact CG-CZ 3.75Å; G674-F678 WeakPolarHBondContact O-CB 3.42Å; G674-F678 PolarHBondContact O-N 3.5Å; H675-F678 WeakPolarHBondContact O-CB 2.74Å; H675-F678 PolarHBondContact O-N 2.86Å; F676-F678 VanDerWaalsContact C-N 3.31Å; F676-F678 PolarHBondContact O-N 2.85Å; F678-L681 PolarHBondContact O-N 3.43Å; F678-R682 HydrophobicContact CD1-CB 4.43Å; F678-R682 HydrophobicContact CE1-CB 4.14Å; F678-R682 HydrophobicContact CE1-CG 4.16Å; F678-R682 HydrophobicContact CZ-CB 4.3Å; F678-R682 HydrophobicContact CZ-CG 4.17Å; F678-R682 WeakPolarHBondContact O-CB 3.45Å; F678-R682 PolarHBondContact O-N 3.24Å; F678-L698 HydrophobicContact CB-CD2 4.35Å; F678-L698 HydrophobicContact CD2-CD2 3.45Å; F678-L698 VanDerWaalsContact CD2-CD2 3.45Å; F678-L698 HydrophobicContact CE2-CD2 3.98Å; F678-L698 HydrophobicContact CG-CD2 4.11Å; F678-Y701 HydrophobicContact CB-CD1 4.39Å; F678-Y701 HydrophobicContact CB-CE1 3.97Å; F678-Y701 HydrophobicContact CD2-CD1 4.45Å; F678-Y701 HydrophobicContact CD2-CE1 4.43Å; F678-L712 HydrophobicContact CB-CD1 4.29Å; F678-L712 HydrophobicContact CD1-CD1 4.1Å; F678-L712 HydrophobicContact CD1-CD2 3.68Å; F678-L712 HydrophobicContact CD1-CG 4.36Å; F678-L712 HydrophobicContact CD2-CD1 3.73Å; F678-L712 HydrophobicContact CE1-CB 4.31Å; F678-L712 HydrophobicContact CE1-CD1 4.39Å; F678-L712 HydrophobicContact CE1-CD2 4.05Å; F678-L712 HydrophobicContact CE1-CG 4.49Å; F678-L712 HydrophobicContact CE2-CD1 4.06Å; F678-L712 HydrophobicContact CG-CD1 3.76Å; F678-L712 HydrophobicContact CG-CD2 4.1Å; F678-L712 HydrophobicContact CZ-CB 4.34Å; F678-L712 HydrophobicContact CZ-CD1 4.38Å |
| 679 | W | 98.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.015 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.1 | -37.7 | -176.5 | -76.9 | 112.2 | 0 | 0 | 0 | 113.5 | H675 F676 L677 R682 S683 Q715 V716 L719 P770 L851 T853 | H675-W679 AromaticContact CD2-CD1 3.85Å; H675-W679 AromaticContact CE1-CD1 3.5Å; H675-W679 VanDerWaalsContact CE1-CD1 3.5Å; H675-W679 AromaticContact CE1-NE1 3.23Å; H675-W679 PolarHBondContact CE1-NE1 2.94Å; H675-W679 AromaticContact ND1-CD1 3.98Å; H675-W679 AromaticContact ND1-NE1 3.84Å; H675-W679 AromaticContact NE2-CD1 3.4Å; H675-W679 AromaticContact NE2-NE1 3.58Å; H675-W679 PolarHBondContact O-N 2.77Å; H675-W679 VanDerWaalsContact O-N 3.16Å; F676-W679 PolarHBondContact O-N 3.09Å; L677-W679 PolarHBondContact O-N 2.87Å; W679-R682 HydrophobicContact CZ3-CG 4.48Å; W679-R682 PolarHBondContact O-N 2.88Å; W679-S683 VanDerWaalsContact O-CB 3.25Å; W679-S683 WeakPolarHBondContact O-CB 3.46Å; W679-S683 PolarHBondContact O-N 3.38Å; W679-S683 PolarHBondContact O-OG 3.43Å; W679-Q715 HydrophobicContact CH2-CB 4.45Å; W679-Q715 HydrophobicContact CZ2-CB 3.76Å; W679-Q715 VanDerWaalsContact NE1-OE1 3.12Å; W679-V716 HydrophobicContact CH2-CG2 3.68Å; W679-V716 HydrophobicContact CZ2-CG2 4.39Å; W679-V716 HydrophobicContact CZ3-CG2 4.43Å; W679-L719 HydrophobicContact CH2-CD1 3.29Å; W679-L719 HydrophobicContact CZ2-CD1 4.07Å; W679-L719 HydrophobicContact CZ3-CD1 3.66Å; W679-P770 HydrophobicContact CZ2-CB 4.31Å; W679-L851 HydrophobicContact CB-CD1 3.97Å; W679-L851 HydrophobicContact CB-CD2 3.92Å; W679-L851 HydrophobicContact CB-CG 4.28Å; W679-L851 HydrophobicContact CD2-CD2 4.28Å; W679-L851 HydrophobicContact CG-CD2 3.77Å; W679-T853 HydrophobicContact CD2-CG2 4.39Å; W679-T853 HydrophobicContact CE3-CG2 3.8Å; W679-T853 HydrophobicContact CZ3-CG2 3.96Å |
| 680 | H | 98 | Very high | 94 | Very high | 17 Ų | 17 | 20.5 Ų | 20.5 | 8% | 0.079 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 175.3 | -66.8 | -29.6 | 0 | 0 | 0 | 111.7 | V646 F676 L677 S683 | V646-H680 HydrophobicContact CB-CB 4.36Å; V646-H680 HydrophobicContact CG1-CB 4.1Å; V646-H680 HydrophobicContact CG2-CB 4.06Å; F676-H680 WeakPolarHBondContact O-CB 3.28Å; F676-H680 PolarHBondContact O-CD2 3.28Å; F676-H680 PolarHBondContact O-N 3.2Å; L677-H680 PolarHBondContact O-N 3.01Å; H680-S683 PolarHBondContact O-OG 3.04Å |
| 681 | L | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.2 | -46.6 | 175.4 | -65.5 | 169 | 0 | 0 | 0 | 111.9 | V646 L649 L677 F678 S683 E684 I685 F694 I697 L698 | V646-L681 HydrophobicContact CG1-CD2 3.89Å; V646-L681 HydrophobicContact CG1-CG 4.42Å; L649-L681 HydrophobicContact CD1-CD2 4.24Å; L677-L681 HydrophobicContact CD1-CD1 3.9Å; L677-L681 HydrophobicContact CD1-CG 4.21Å; L677-L681 HydrophobicContact CG-CD1 3.89Å; L677-L681 WeakPolarHBondContact O-CB 3.45Å; L677-L681 VanDerWaalsContact O-CG 3.27Å; L677-L681 WeakPolarHBondContact O-CG 3.21Å; L677-L681 PolarHBondContact O-N 2.84Å; F678-L681 PolarHBondContact O-N 3.43Å; L681-S683 VanDerWaalsContact C-N 3.35Å; L681-S683 PolarHBondContact O-N 3.21Å; L681-E684 PolarHBondContact O-N 3Å; L681-I685 PolarHBondContact O-N 3.32Å; L681-F694 HydrophobicContact CB-CB 4.37Å; L681-F694 HydrophobicContact CB-CD2 4.34Å; L681-F694 HydrophobicContact CB-CG 4.42Å; L681-F694 HydrophobicContact CD2-CB 4.08Å; L681-F694 HydrophobicContact CD2-CD1 3.49Å; L681-F694 VanDerWaalsContact CD2-CD1 3.49Å; L681-F694 HydrophobicContact CD2-CD2 3.82Å; L681-F694 HydrophobicContact CD2-CE1 3.76Å; L681-F694 HydrophobicContact CD2-CE2 4.05Å; L681-F694 HydrophobicContact CD2-CG 3.52Å; L681-F694 HydrophobicContact CD2-CZ 4.03Å; L681-I697 HydrophobicContact CD1-CB 4.12Å; L681-I697 HydrophobicContact CD1-CG2 3.58Å; L681-L698 HydrophobicContact CB-CD1 4.02Å; L681-L698 HydrophobicContact CB-CD2 3.87Å; L681-L698 HydrophobicContact CB-CG 3.83Å; L681-L698 HydrophobicContact CD1-CD2 4.04Å; L681-L698 HydrophobicContact CD1-CG 4.05Å |
| 682 | R | 95.7 | Very high | 94.3 | Very high | 55 Ų | 55 | 20.1 Ų | 20.1 | 21% | 0.208 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.1 | -34.6 | -175.2 | 177.8 | 58.8 | -175.7 | 80.3 | -3.9 | 112.9 | I127 F678 W679 E684 I685 L698 | I127-R682 VanDerWaalsContact O-CD 3.29Å; I127-R682 WeakPolarHBondContact O-CD 3.43Å; I127-R682 PolarHBondContact O-NE 2.91Å; F678-R682 HydrophobicContact CD1-CB 4.43Å; F678-R682 HydrophobicContact CE1-CB 4.14Å; F678-R682 HydrophobicContact CE1-CG 4.16Å; F678-R682 HydrophobicContact CZ-CB 4.3Å; F678-R682 HydrophobicContact CZ-CG 4.17Å; F678-R682 WeakPolarHBondContact O-CB 3.45Å; F678-R682 PolarHBondContact O-N 3.24Å; W679-R682 HydrophobicContact CZ3-CG 4.48Å; W679-R682 PolarHBondContact O-N 2.88Å; R682-E684 PolarHBondContact O-N 3.24Å; R682-I685 WeakPolarHBondContact O-CG2 3.39Å; R682-L698 HydrophobicContact CB-CD1 4.4Å |
| 683 | S | 94.7 | Very high | 94.4 | Very high | 5 Ų | 5 | 18 Ų | 18 | 4% | 0.035 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.9 | -24.2 | 178.3 | 62.1 | 0 | 0 | 0 | 0 | 112.5 | W679 H680 L681 H686 A852 G854 | W679-S683 VanDerWaalsContact O-CB 3.25Å; W679-S683 WeakPolarHBondContact O-CB 3.46Å; W679-S683 PolarHBondContact O-N 3.38Å; W679-S683 PolarHBondContact O-OG 3.43Å; H680-S683 PolarHBondContact O-OG 3.04Å; L681-S683 VanDerWaalsContact C-N 3.35Å; L681-S683 PolarHBondContact O-N 3.21Å; S683-H686 PolarHBondContact O-CE1 3.46Å; S683-H686 PolarHBondContact O-ND1 3.41Å; S683-A852 WeakPolarHBondContact CB-O 3.22Å; S683-G854 CarbonylContact O-C 3.47Å |
| 684 | E | 93.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.019 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -109.1 | -6.3 | -172 | -68.8 | -159.5 | 144.8 | 0 | 0 | 114.2 | Q647 R650 L681 R682 H686 M687 F694 R820 | Q647-E684 PolarHBondContact NE2-OE2 2.92Å; Q647-E684 PolarHBondContact OE1-OE2 2.82Å; R650-E684 IonicContact CZ-OE2 3.28Å; R650-E684 IonicContact NE-OE2 2.86Å; R650-E684 IonicContact NH2-OE1 2.86Å; R650-E684 PolarHBondContact NH2-OE1 3.13Å; R650-E684 VanDerWaalsContact NH2-OE1 3.12Å; R650-E684 IonicContact NH2-OE2 3.01Å; R650-E684 PolarHBondContact NH2-OE2 3.33Å; L681-E684 PolarHBondContact O-N 3Å; R682-E684 PolarHBondContact O-N 3.24Å; E684-H686 PolarHBondContact O-N 3.43Å; E684-M687 HydrophobicContact CB-CE 3.32Å; E684-M687 HydrophobicContact CG-CE 3.45Å; E684-M687 VanDerWaalsContact CG-CE 3.45Å; E684-M687 WeakPolarHBondContact O-CB 3.4Å; E684-M687 PolarHBondContact O-N 2.96Å; E684-F694 HydrophobicContact CB-CD2 4.11Å; E684-F694 HydrophobicContact CB-CE2 3.83Å; E684-R820 WeakPolarHBondContact OE1-CD 3.29Å; E684-R820 IonicContact OE1-CZ 3.94Å; E684-R820 IonicContact OE1-NH1 2.78Å; E684-R820 PolarHBondContact OE1-NH1 3.44Å |
| 685 | I | 90.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 18 Ų | 18 | 7% | 0.067 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21.2 | -177.5 | -154.6 | 176.4 | 0 | 0 | 0 | 114.7 | I127 L681 R682 M687 S691 S695 L698 | I127-I685 HydrophobicContact CG2-CD1 3.26Å; L681-I685 PolarHBondContact O-N 3.32Å; R682-I685 WeakPolarHBondContact O-CG2 3.39Å; I685-M687 PolarHBondContact O-N 3.46Å; I685-S691 VanDerWaalsContact O-CB 3.31Å; I685-S691 WeakPolarHBondContact O-CB 3.35Å; I685-S691 PolarHBondContact O-OG 3.4Å; I685-S691 VanDerWaalsContact O-OG 3.12Å; I685-S695 WeakPolarHBondContact CD1-OG 3.33Å; I685-L698 HydrophobicContact CD1-CD1 4.02Å |
| 686 | H | 87.8 | Confident | 94.4 | Very high | 63 Ų | 63 | 18.1 Ų | 18.1 | 29% | 0.292 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -19 | 176 | 68.4 | -85.2 | 0 | 0 | 0 | 112.3 | S683 E684 P688 | S683-H686 PolarHBondContact O-CE1 3.46Å; S683-H686 PolarHBondContact O-ND1 3.41Å; E684-H686 PolarHBondContact O-N 3.43Å; H686-P688 WeakPolarHBondContact O-CD 3.37Å |
| 687 | M | 89.8 | Confident | 94.4 | Very high | 36 Ų | 36 | 16.4 Ų | 16.4 | 18% | 0.177 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -76.8 | 119.2 | 175.3 | -74 | -178.3 | -77.7 | 0 | 0 | 110.5 | E684 I685 A689 V690 S691 | E684-M687 HydrophobicContact CB-CE 3.32Å; E684-M687 HydrophobicContact CG-CE 3.45Å; E684-M687 VanDerWaalsContact CG-CE 3.45Å; E684-M687 WeakPolarHBondContact O-CB 3.4Å; E684-M687 PolarHBondContact O-N 2.96Å; I685-M687 PolarHBondContact O-N 3.46Å; M687-A689 VanDerWaalsContact C-N 3.26Å; M687-A689 PolarHBondContact O-N 3.05Å; M687-A689 VanDerWaalsContact O-N 3.17Å; M687-V690 HydrophobicContact CB-CG2 3.91Å; M687-V690 PolarHBondContact O-N 2.9Å; M687-S691 WeakPolarHBondContact O-CB 3.32Å; M687-S691 PolarHBondContact O-N 3.06Å |
| 688 | P | 89.4 | Confident | 94.3 | Very high | 42 Ų | 42 | 16.3 Ų | 16.3 | 27% | 0.273 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -34.1 | -174.1 | -24.1 | 31.9 | 0 | 0 | 0 | 114.3 | W465 P486 Y487 H686 V690 | W465-P688 HydrophobicContact CH2-CB 4.04Å; W465-P688 HydrophobicContact CZ3-CB 4.33Å; P486-P688 HydrophobicContact CG-CB 3.68Å; Y487-P688 HydrophobicContact CE2-CB 4.04Å; Y487-P688 HydrophobicContact CE2-CG 3.57Å; H686-P688 WeakPolarHBondContact O-CD 3.37Å; P688-V690 VanDerWaalsContact C-N 3.27Å; P688-V690 PolarHBondContact O-N 2.78Å |
| 689 | A | 89.6 | Confident | 94.2 | Very high | 30 Ų | 30 | 16.4 Ų | 16.4 | 25% | 0.248 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | W465 T481 M687 | W465-A689 HydrophobicContact CH2-CB 3.9Å; W465-A689 HydrophobicContact CZ2-CB 4.09Å; T481-A689 HydrophobicContact CG2-CB 4.03Å; M687-A689 VanDerWaalsContact C-N 3.26Å; M687-A689 PolarHBondContact O-N 3.05Å; M687-A689 VanDerWaalsContact O-N 3.17Å |
| 690 | V | 91.9 | Very high | 94.1 | Very high | 6 Ų | 6 | 16.3 Ų | 16.3 | 4% | 0.036 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -9.6 | -176.8 | -61.4 | 0 | 0 | 0 | 0 | 112.7 | R650 M687 P688 V692 Q693 F694 | R650-V690 HydrophobicContact CG-CG1 3.81Å; M687-V690 HydrophobicContact CB-CG2 3.91Å; M687-V690 PolarHBondContact O-N 2.9Å; P688-V690 VanDerWaalsContact C-N 3.27Å; P688-V690 PolarHBondContact O-N 2.78Å; V690-V692 VanDerWaalsContact C-N 3.31Å; V690-V692 PolarHBondContact O-N 2.89Å; V690-Q693 PolarHBondContact O-N 3.09Å; V690-Q693 VanDerWaalsContact O-N 3.16Å; V690-F694 HydrophobicContact CB-CD1 4.21Å; V690-F694 HydrophobicContact CB-CD2 4.09Å; V690-F694 HydrophobicContact CB-CE1 4.18Å; V690-F694 HydrophobicContact CB-CE2 4.08Å; V690-F694 HydrophobicContact CB-CG 4.17Å; V690-F694 HydrophobicContact CB-CZ 4.13Å; V690-F694 HydrophobicContact CG1-CZ 4.31Å; V690-F694 HydrophobicContact CG2-CD2 3.84Å; V690-F694 HydrophobicContact CG2-CE2 3.87Å; V690-F694 HydrophobicContact CG2-CG 4.35Å; V690-F694 HydrophobicContact CG2-CZ 4.4Å; V690-F694 PolarHBondContact O-N 3.01Å |
| 691 | S | 92.3 | Very high | 94.1 | Very high | 16 Ų | 16 | 15.6 Ų | 15.6 | 11% | 0.112 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -52.1 | -44.9 | -171.8 | -175.7 | 0 | 0 | 0 | 0 | 113 | K129 I685 M687 S695 | K129-S691 PolarHBondContact NZ-OG 3.29Å; I685-S691 VanDerWaalsContact O-CB 3.31Å; I685-S691 WeakPolarHBondContact O-CB 3.35Å; I685-S691 PolarHBondContact O-OG 3.4Å; I685-S691 VanDerWaalsContact O-OG 3.12Å; M687-S691 WeakPolarHBondContact O-CB 3.32Å; M687-S691 PolarHBondContact O-N 3.06Å; S691-S695 VanDerWaalsContact O-CB 3.26Å; S691-S695 WeakPolarHBondContact O-CB 3.43Å; S691-S695 PolarHBondContact O-N 2.88Å; S691-S695 VanDerWaalsContact O-N 3.08Å; S691-S695 PolarHBondContact O-OG 2.7Å |
| 692 | V | 93.1 | Very high | 94 | Very high | 33 Ų | 33 | 15.6 Ų | 15.6 | 20% | 0.2 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.8 | -54.1 | 178.8 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | L134 I137 V142 V690 F694 S695 L696 | L134-V692 HydrophobicContact CD2-CG1 4.46Å; I137-V692 HydrophobicContact CD1-CG1 3.87Å; I137-V692 HydrophobicContact CD1-CG2 3.91Å; V142-V692 HydrophobicContact CG2-CG1 4.45Å; V690-V692 VanDerWaalsContact C-N 3.31Å; V690-V692 PolarHBondContact O-N 2.89Å; V692-F694 PolarHBondContact O-N 3.25Å; V692-S695 WeakPolarHBondContact O-CB 2.77Å; V692-S695 PolarHBondContact O-N 3.47Å; V692-S695 VanDerWaalsContact O-N 3.15Å; V692-L696 HydrophobicContact CG1-CD1 3.94Å; V692-L696 HydrophobicContact CG1-CG 4.38Å; V692-L696 VanDerWaalsContact O-CG 3.31Å; V692-L696 WeakPolarHBondContact O-CG 3.29Å; V692-L696 PolarHBondContact O-N 2.96Å |
| 693 | Q | 95.1 | Very high | 93.8 | Very high | 13 Ų | 13 | 13.7 Ų | 13.7 | 6% | 0.061 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -54.6 | -50.7 | -179.3 | -176.5 | 178.7 | 30.8 | 0 | 0 | 112 | L649 Y655 V690 S695 L696 I697 | L649-Q693 PolarHBondContact O-NE2 3.07Å; L649-Q693 PolarHBondContact O-OE1 3.02Å; Y655-Q693 HydrophobicContact CD1-CB 4.01Å; Y655-Q693 HydrophobicContact CD1-CG 3.96Å; Y655-Q693 HydrophobicContact CE1-CB 3.88Å; Y655-Q693 HydrophobicContact CE1-CG 4.32Å; V690-Q693 PolarHBondContact O-N 3.09Å; V690-Q693 VanDerWaalsContact O-N 3.16Å; Q693-S695 VanDerWaalsContact C-N 3.32Å; Q693-S695 PolarHBondContact O-N 3.47Å; Q693-L696 WeakPolarHBondContact O-CB 3.45Å; Q693-L696 PolarHBondContact O-N 3.02Å; Q693-I697 HydrophobicContact CG-CD1 4.17Å; Q693-I697 WeakPolarHBondContact O-CG1 3.37Å; Q693-I697 PolarHBondContact O-N 3.21Å; Q693-I697 VanDerWaalsContact O-N 3.11Å |
| 694 | F | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.7 | -32.9 | -178 | -72.1 | 7.2 | 0 | 0 | 0 | 111.6 | V646 L649 R650 L681 E684 V690 V692 I697 L698 | V646-F694 HydrophobicContact CG1-CE2 4.48Å; V646-F694 HydrophobicContact CG1-CZ 4.17Å; L649-F694 HydrophobicContact CB-CE1 4.16Å; L649-F694 HydrophobicContact CD1-CE1 4.43Å; R650-F694 HydrophobicContact CG-CZ 4.39Å; L681-F694 HydrophobicContact CB-CB 4.37Å; L681-F694 HydrophobicContact CB-CD2 4.34Å; L681-F694 HydrophobicContact CB-CG 4.42Å; L681-F694 HydrophobicContact CD2-CB 4.08Å; L681-F694 HydrophobicContact CD2-CD1 3.49Å; L681-F694 VanDerWaalsContact CD2-CD1 3.49Å; L681-F694 HydrophobicContact CD2-CD2 3.82Å; L681-F694 HydrophobicContact CD2-CE1 3.76Å; L681-F694 HydrophobicContact CD2-CE2 4.05Å; L681-F694 HydrophobicContact CD2-CG 3.52Å; L681-F694 HydrophobicContact CD2-CZ 4.03Å; E684-F694 HydrophobicContact CB-CD2 4.11Å; E684-F694 HydrophobicContact CB-CE2 3.83Å; V690-F694 HydrophobicContact CB-CD1 4.21Å; V690-F694 HydrophobicContact CB-CD2 4.09Å; V690-F694 HydrophobicContact CB-CE1 4.18Å; V690-F694 HydrophobicContact CB-CE2 4.08Å; V690-F694 HydrophobicContact CB-CG 4.17Å; V690-F694 HydrophobicContact CB-CZ 4.13Å; V690-F694 HydrophobicContact CG1-CZ 4.31Å; V690-F694 HydrophobicContact CG2-CD2 3.84Å; V690-F694 HydrophobicContact CG2-CE2 3.87Å; V690-F694 HydrophobicContact CG2-CG 4.35Å; V690-F694 HydrophobicContact CG2-CZ 4.4Å; V690-F694 PolarHBondContact O-N 3.01Å; V692-F694 PolarHBondContact O-N 3.25Å; F694-I697 PolarHBondContact O-N 3.08Å; F694-L698 VanDerWaalsContact O-CB 3.27Å; F694-L698 WeakPolarHBondContact O-CB 3.09Å; F694-L698 WeakPolarHBondContact O-CD1 3.3Å; F694-L698 WeakPolarHBondContact O-CG 3.38Å; F694-L698 PolarHBondContact O-N 3.33Å |
| 695 | S | 95.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.007 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 172.8 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | K129 I685 S691 V692 Q693 L698 E699 | K129-S695 WeakPolarHBondContact CD-OG 3.15Å; I685-S695 WeakPolarHBondContact CD1-OG 3.33Å; S691-S695 VanDerWaalsContact O-CB 3.26Å; S691-S695 WeakPolarHBondContact O-CB 3.43Å; S691-S695 PolarHBondContact O-N 2.88Å; S691-S695 VanDerWaalsContact O-N 3.08Å; S691-S695 PolarHBondContact O-OG 2.7Å; V692-S695 WeakPolarHBondContact O-CB 2.77Å; V692-S695 PolarHBondContact O-N 3.47Å; V692-S695 VanDerWaalsContact O-N 3.15Å; Q693-S695 VanDerWaalsContact C-N 3.32Å; Q693-S695 PolarHBondContact O-N 3.47Å; S695-L698 PolarHBondContact O-N 3.46Å; S695-E699 VanDerWaalsContact O-CB 3.31Å; S695-E699 WeakPolarHBondContact O-CB 3.19Å; S695-E699 PolarHBondContact O-N 2.91Å |
| 696 | L | 96.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.1 | -42.2 | 179 | -67.7 | 170.5 | 0 | 0 | 0 | 111.8 | L134 V142 F145 R146 Y655 V692 Q693 E699 A700 | L134-L696 HydrophobicContact CD1-CD2 4.11Å; V142-L696 HydrophobicContact CG1-CD1 4.4Å; V142-L696 HydrophobicContact CG1-CD2 3.95Å; V142-L696 HydrophobicContact CG2-CD1 4.38Å; F145-L696 HydrophobicContact CD1-CB 3.93Å; F145-L696 HydrophobicContact CD1-CD1 4.3Å; F145-L696 HydrophobicContact CD1-CD2 4.36Å; F145-L696 HydrophobicContact CD1-CG 4.43Å; F145-L696 HydrophobicContact CE1-CB 3.65Å; R146-L696 HydrophobicContact CG-CD2 3.43Å; R146-L696 VanDerWaalsContact CG-CD2 3.43Å; Y655-L696 HydrophobicContact CD1-CD1 4.2Å; Y655-L696 HydrophobicContact CD2-CD1 3.86Å; Y655-L696 HydrophobicContact CE1-CD1 4.39Å; Y655-L696 HydrophobicContact CE2-CD1 4.06Å; Y655-L696 HydrophobicContact CG-CD1 3.94Å; V692-L696 HydrophobicContact CG1-CD1 3.94Å; V692-L696 HydrophobicContact CG1-CG 4.38Å; V692-L696 VanDerWaalsContact O-CG 3.31Å; V692-L696 WeakPolarHBondContact O-CG 3.29Å; V692-L696 PolarHBondContact O-N 2.96Å; Q693-L696 WeakPolarHBondContact O-CB 3.45Å; Q693-L696 PolarHBondContact O-N 3.02Å; L696-E699 PolarHBondContact O-N 3.03Å; L696-A700 WeakPolarHBondContact O-CB 3.46Å; L696-A700 PolarHBondContact O-N 3.25Å |
| 697 | I | 97.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 12 Ų | 12 | 2% | 0.015 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.9 | -43.4 | 177.5 | -60.9 | 171.9 | 0 | 0 | 0 | 110.6 | L649 T660 L664 L681 Q693 F694 E699 A700 Y701 | L649-I697 HydrophobicContact CD1-CD1 3.72Å; L649-I697 HydrophobicContact CD2-CD1 4.34Å; T660-I697 HydrophobicContact CG2-CD1 4.19Å; T660-I697 HydrophobicContact CG2-CG1 3.96Å; L664-I697 HydrophobicContact CD2-CG2 3.9Å; L664-I697 HydrophobicContact CG-CG2 4.21Å; L681-I697 HydrophobicContact CD1-CB 4.12Å; L681-I697 HydrophobicContact CD1-CG2 3.58Å; Q693-I697 HydrophobicContact CG-CD1 4.17Å; Q693-I697 WeakPolarHBondContact O-CG1 3.37Å; Q693-I697 PolarHBondContact O-N 3.21Å; Q693-I697 VanDerWaalsContact O-N 3.11Å; F694-I697 PolarHBondContact O-N 3.08Å; I697-E699 VanDerWaalsContact C-N 3.34Å; I697-E699 PolarHBondContact O-N 2.88Å; I697-A700 PolarHBondContact O-N 3.37Å; I697-Y701 WeakPolarHBondContact O-CB 3.31Å; I697-Y701 PolarHBondContact O-N 3.35Å |
| 698 | L | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 175.7 | -76.2 | 169.9 | 0 | 0 | 0 | 112 | I127 F678 L681 R682 I685 F694 S695 Y701 C702 | I127-L698 HydrophobicContact CD1-CB 3.58Å; I127-L698 HydrophobicContact CG1-CB 3.84Å; I127-L698 HydrophobicContact CG1-CD1 4.41Å; I127-L698 HydrophobicContact CG2-CB 4.46Å; I127-L698 HydrophobicContact CG2-CD1 4.02Å; F678-L698 HydrophobicContact CB-CD2 4.35Å; F678-L698 HydrophobicContact CD2-CD2 3.45Å; F678-L698 VanDerWaalsContact CD2-CD2 3.45Å; F678-L698 HydrophobicContact CE2-CD2 3.98Å; F678-L698 HydrophobicContact CG-CD2 4.11Å; L681-L698 HydrophobicContact CB-CD1 4.02Å; L681-L698 HydrophobicContact CB-CD2 3.87Å; L681-L698 HydrophobicContact CB-CG 3.83Å; L681-L698 HydrophobicContact CD1-CD2 4.04Å; L681-L698 HydrophobicContact CD1-CG 4.05Å; R682-L698 HydrophobicContact CB-CD1 4.4Å; I685-L698 HydrophobicContact CD1-CD1 4.02Å; F694-L698 VanDerWaalsContact O-CB 3.27Å; F694-L698 WeakPolarHBondContact O-CB 3.09Å; F694-L698 WeakPolarHBondContact O-CD1 3.3Å; F694-L698 WeakPolarHBondContact O-CG 3.38Å; F694-L698 PolarHBondContact O-N 3.33Å; S695-L698 PolarHBondContact O-N 3.46Å; L698-Y701 PolarHBondContact O-N 2.72Å; L698-C702 WeakPolarHBondContact O-CB 3.41Å; L698-C702 PolarHBondContact O-N 3.24Å; L698-C702 PolarHBondContact O-SG 3.29Å |
| 699 | E | 96.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.005 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60.3 | -49.7 | 174.6 | 179.2 | -176.2 | -165 | 0 | 0 | 110.8 | I123 I127 L131 R146 F150 S695 L696 I697 Y701 C702 R703 | I123-E699 HydrophobicContact CG2-CB 4.46Å; I123-E699 HydrophobicContact CG2-CG 4.35Å; I127-E699 HydrophobicContact CD1-CB 4.26Å; L131-E699 HydrophobicContact CD1-CG 4.33Å; L131-E699 HydrophobicContact CD2-CB 4.29Å; L131-E699 HydrophobicContact CD2-CG 4.09Å; R146-E699 IonicContact CZ-OE1 3.61Å; R146-E699 IonicContact CZ-OE2 3.87Å; R146-E699 IonicContact NE-OE1 2.71Å; R146-E699 PolarHBondContact NE-OE1 3.35Å; R146-E699 IonicContact NE-OE2 3.46Å; R146-E699 PolarHBondContact NE-OE2 2.9Å; R146-E699 IonicContact NH2-OE1 3.78Å; R146-E699 PolarHBondContact NH2-OE1 3.49Å; R146-E699 IonicContact NH2-OE2 3.67Å; R146-E699 PolarHBondContact NH2-OE2 2.74Å; F150-E699 HydrophobicContact CE1-CG 4.22Å; F150-E699 WeakPolarHBondContact CE1-OE1 3.48Å; F150-E699 WeakPolarHBondContact CZ-OE1 3.29Å; S695-E699 VanDerWaalsContact O-CB 3.31Å; S695-E699 WeakPolarHBondContact O-CB 3.19Å; S695-E699 PolarHBondContact O-N 2.91Å; L696-E699 PolarHBondContact O-N 3.03Å; I697-E699 VanDerWaalsContact C-N 3.34Å; I697-E699 PolarHBondContact O-N 2.88Å; E699-Y701 PolarHBondContact O-N 2.77Å; E699-C702 PolarHBondContact O-N 2.8Å; E699-R703 WeakPolarHBondContact O-CG 3.41Å; E699-R703 PolarHBondContact O-N 3.29Å; E699-R703 IonicContact OE1-CZ 3.55Å; E699-R703 IonicContact OE1-NE 3.92Å; E699-R703 PolarHBondContact OE1-NE 2.85Å; E699-R703 IonicContact OE1-NH2 3.85Å; E699-R703 PolarHBondContact OE1-NH2 3.04Å |
| 700 | A | 96.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 11.2 Ų | 11.2 | 2% | 0.017 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -57.2 | -48.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | M149 S153 L664 L696 I697 C702 R703 G704 | M149-A700 HydrophobicContact CB-CB 3.8Å; M149-A700 HydrophobicContact CG-CB 3.88Å; M149-A700 HydrophobicContact SD-CB 4.34Å; S153-A700 PolarHBondContact OG-O 2.83Å; L664-A700 HydrophobicContact CD1-CB 3.9Å; L664-A700 HydrophobicContact CD2-CB 4.25Å; L696-A700 WeakPolarHBondContact O-CB 3.46Å; L696-A700 PolarHBondContact O-N 3.25Å; I697-A700 PolarHBondContact O-N 3.37Å; A700-C702 PolarHBondContact O-N 3.37Å; A700-R703 PolarHBondContact O-N 2.93Å; A700-G704 PolarHBondContact O-N 3.49Å |
| 701 | Y | 97.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 178.1 | 171.2 | -108.3 | 0 | 0 | 0 | 112.9 | A667 E668 G674 H675 F678 I697 L698 E699 R703 G704 S705 H708 L712 | A667-Y701 HydrophobicContact CB-CD2 4.07Å; A667-Y701 HydrophobicContact CB-CE2 4.04Å; E668-Y701 HydrophobicContact CG-CD2 4.42Å; G674-Y701 VanDerWaalsContact CA-OH 3.25Å; G674-Y701 WeakPolarHBondContact CA-OH 3.42Å; G674-Y701 PolarHBondContact O-OH 2.76Å; G674-Y701 VanDerWaalsContact O-OH 3.1Å; H675-Y701 PolarHBondContact N-OH 3.12Å; F678-Y701 HydrophobicContact CB-CD1 4.39Å; F678-Y701 HydrophobicContact CB-CE1 3.97Å; F678-Y701 HydrophobicContact CD2-CD1 4.45Å; F678-Y701 HydrophobicContact CD2-CE1 4.43Å; I697-Y701 WeakPolarHBondContact O-CB 3.31Å; I697-Y701 PolarHBondContact O-N 3.35Å; L698-Y701 PolarHBondContact O-N 2.72Å; E699-Y701 PolarHBondContact O-N 2.77Å; Y701-R703 VanDerWaalsContact C-N 3.32Å; Y701-R703 PolarHBondContact O-N 3.43Å; Y701-G704 CarbonylContact O-C 3.48Å; Y701-G704 PolarHBondContact O-N 2.93Å; Y701-S705 WeakPolarHBondContact CE2-OG 3.39Å; Y701-S705 VanDerWaalsContact O-CB 3.26Å; Y701-S705 WeakPolarHBondContact O-CB 3.32Å; Y701-S705 PolarHBondContact O-N 3.45Å; Y701-S705 PolarHBondContact O-OG 3.21Å; Y701-H708 AromaticContact CZ-ND1 3.83Å; Y701-H708 PolarHBondContact OH-CE1 3.12Å; Y701-H708 PolarHBondContact OH-ND1 3.18Å; Y701-L712 HydrophobicContact CE1-CD1 4.11Å |
| 702 | C | 95.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.007 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.2 | -40.3 | 179.2 | -72.3 | 0 | 0 | 0 | 0 | 111.5 | I123 L698 E699 A700 S705 I706 I709 | I123-C702 HydrophobicContact CD1-CB 3.92Å; I123-C702 HydrophobicContact CG1-CB 3.78Å; I123-C702 HydrophobicContact CG2-CB 4.17Å; L698-C702 WeakPolarHBondContact O-CB 3.41Å; L698-C702 PolarHBondContact O-N 3.24Å; L698-C702 PolarHBondContact O-SG 3.29Å; E699-C702 PolarHBondContact O-N 2.8Å; A700-C702 PolarHBondContact O-N 3.37Å; C702-S705 CarbonylContact O-C 3.47Å; C702-S705 PolarHBondContact O-N 3.44Å; C702-I706 PolarHBondContact O-N 3.01Å; C702-I709 HydrophobicContact CB-CD1 4.06Å; C702-I709 HydrophobicContact CB-CG1 4.17Å; C702-I709 WeakPolarHBondContact O-CD1 3.41Å |
| 703 | R | 92.1 | Very high | 94.4 | Very high | 15 Ų | 15 | 13 Ų | 13 | 6% | 0.057 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.9 | -35.5 | 175.6 | -69.7 | -175.8 | -170.5 | -79.8 | 6.1 | 112.7 | D120 I123 F150 E699 A700 Y701 S705 | D120-R703 IonicContact OD1-CZ 3.27Å; D120-R703 IonicContact OD1-NH1 3.42Å; D120-R703 PolarHBondContact OD1-NH1 2.99Å; D120-R703 IonicContact OD1-NH2 2.69Å; D120-R703 PolarHBondContact OD1-NH2 3.44Å; I123-R703 HydrophobicContact CD1-CG 3.55Å; F150-R703 VanDerWaalsContact CD1-CD 3.42Å; F150-R703 VanDerWaalsContact CZ-NE 3.28Å; E699-R703 WeakPolarHBondContact O-CG 3.41Å; E699-R703 PolarHBondContact O-N 3.29Å; E699-R703 IonicContact OE1-CZ 3.55Å; E699-R703 IonicContact OE1-NE 3.92Å; E699-R703 PolarHBondContact OE1-NE 2.85Å; E699-R703 IonicContact OE1-NH2 3.85Å; E699-R703 PolarHBondContact OE1-NH2 3.04Å; A700-R703 PolarHBondContact O-N 2.93Å; Y701-R703 VanDerWaalsContact C-N 3.32Å; Y701-R703 PolarHBondContact O-N 3.43Å; R703-S705 VanDerWaalsContact C-N 3.31Å |
| 704 | G | 91.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -76.7 | -14.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K156 E668 A700 Y701 | K156-G704 PolarHBondContact NZ-O 2.8Å; E668-G704 WeakPolarHBondContact OE1-CA 3.44Å; A700-G704 PolarHBondContact O-N 3.49Å; Y701-G704 CarbonylContact O-C 3.48Å; Y701-G704 PolarHBondContact O-N 2.93Å |
| 705 | S | 91.9 | Very high | 94.4 | Very high | 14 Ų | 14 | 17.3 Ų | 17.3 | 10% | 0.098 | 9% | 0.085 | C | C | . | . | trans | -135.4 | 47.1 | -170.4 | -52.4 | 0 | 0 | 0 | 0 | 112.7 | Y701 C702 R703 P707 H708 | Y701-S705 WeakPolarHBondContact CE2-OG 3.39Å; Y701-S705 VanDerWaalsContact O-CB 3.26Å; Y701-S705 WeakPolarHBondContact O-CB 3.32Å; Y701-S705 PolarHBondContact O-N 3.45Å; Y701-S705 PolarHBondContact O-OG 3.21Å; C702-S705 CarbonylContact O-C 3.47Å; C702-S705 PolarHBondContact O-N 3.44Å; R703-S705 VanDerWaalsContact C-N 3.31Å; S705-P707 VanDerWaalsContact C-CD 3.47Å; S705-H708 WeakPolarHBondContact O-CB 3.35Å; S705-H708 PolarHBondContact O-N 3.12Å | ||
| 706 | I | 91.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 18.5 Ų | 18.5 | 9% | 0.087 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -49.6 | -46.2 | -175.2 | -58.7 | -175 | 0 | 0 | 0 | 114 | L119 M157 V302 C702 H708 I709 | L119-I706 HydrophobicContact CD2-CD1 4.06Å; M157-I706 HydrophobicContact SD-CD1 3.43Å; M157-I706 WeakPolarHBondContact SD-CD1 3.45Å; M157-I706 HydrophobicContact SD-CG1 4.08Å; V302-I706 HydrophobicContact CB-CD1 3.9Å; V302-I706 HydrophobicContact CG1-CD1 3.93Å; V302-I706 HydrophobicContact CG2-CD1 3.72Å; C702-I706 PolarHBondContact O-N 3.01Å; I706-H708 PolarHBondContact O-N 3.49Å; I706-H708 VanDerWaalsContact O-N 3.13Å; I706-I709 WeakPolarHBondContact O-CB 3.47Å; I706-I709 PolarHBondContact O-N 3.25Å; I706-I709 VanDerWaalsContact O-N 3.09Å |
| 707 | P | 89.6 | Confident | 94 | Very high | 17 Ų | 17 | 21.2 Ų | 21.2 | 11% | 0.11 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.8 | -27.7 | 179.9 | -24.7 | 35.4 | 0 | 0 | 0 | 113.8 | E295 I299 S705 | E295-P707 HydrophobicContact CB-CB 3.93Å; E295-P707 HydrophobicContact CB-CG 3.84Å; E295-P707 HydrophobicContact CG-CB 3.67Å; E295-P707 HydrophobicContact CG-CG 4.16Å; I299-P707 HydrophobicContact CD1-CG 4Å; I299-P707 HydrophobicContact CG1-CG 3.97Å; S705-P707 VanDerWaalsContact C-CD 3.47Å |
| 708 | H | 93 | Very high | 93.9 | Very high | 5 Ų | 5 | 21.2 Ų | 21.2 | 2% | 0.023 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -79.3 | -19.9 | -178.4 | -162.6 | -161.7 | 0 | 0 | 0 | 112.9 | H675 Y701 S705 I706 E710 V711 L712 | H675-H708 AromaticContact ND1-NE2 3.96Å; Y701-H708 AromaticContact CZ-ND1 3.83Å; Y701-H708 PolarHBondContact OH-CE1 3.12Å; Y701-H708 PolarHBondContact OH-ND1 3.18Å; S705-H708 WeakPolarHBondContact O-CB 3.35Å; S705-H708 PolarHBondContact O-N 3.12Å; I706-H708 PolarHBondContact O-N 3.49Å; I706-H708 VanDerWaalsContact O-N 3.13Å; H708-E710 VanDerWaalsContact C-N 3.27Å; H708-E710 PolarHBondContact O-N 3.23Å; H708-V711 PolarHBondContact O-N 3.39Å; H708-L712 WeakPolarHBondContact O-CG 3.25Å; H708-L712 PolarHBondContact O-N 2.78Å |
| 709 | I | 93.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54.6 | -43.7 | 176.9 | -66.8 | 177.7 | 0 | 0 | 0 | 111 | L119 K122 I123 L126 C702 I706 V711 L712 K713 | L119-I709 HydrophobicContact CD1-CD1 3.75Å; K122-I709 HydrophobicContact CB-CG2 4.5Å; I123-I709 HydrophobicContact CG1-CD1 4Å; L126-I709 HydrophobicContact CD2-CB 4.4Å; L126-I709 HydrophobicContact CD2-CG1 4.42Å; L126-I709 HydrophobicContact CD2-CG2 4.02Å; C702-I709 HydrophobicContact CB-CD1 4.06Å; C702-I709 HydrophobicContact CB-CG1 4.17Å; C702-I709 WeakPolarHBondContact O-CD1 3.41Å; I706-I709 WeakPolarHBondContact O-CB 3.47Å; I706-I709 PolarHBondContact O-N 3.25Å; I706-I709 VanDerWaalsContact O-N 3.09Å; I709-V711 VanDerWaalsContact C-N 3.34Å; I709-V711 PolarHBondContact O-N 3.49Å; I709-L712 PolarHBondContact O-N 3.21Å; I709-K713 WeakPolarHBondContact O-CB 3.46Å; I709-K713 PolarHBondContact O-N 3.23Å |
| 710 | E | 90.6 | Very high | 93.4 | Very high | 84 Ų | 84 | 24.9 Ų | 24.9 | 39% | 0.393 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -68.3 | -33.6 | -176.7 | -62.1 | -60.7 | 156.4 | 0 | 0 | 112.2 | K122 H708 K714 | K122-E710 IonicContact NZ-OE1 2.85Å; K122-E710 PolarHBondContact NZ-OE1 3.46Å; H708-E710 VanDerWaalsContact C-N 3.27Å; H708-E710 PolarHBondContact O-N 3.23Å; E710-K714 PolarHBondContact O-N 3.18Å |
| 711 | V | 94 | Very high | 93 | Very high | 40 Ų | 40 | 25.9 Ų | 25.9 | 24% | 0.242 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.2 | -49.5 | 173.9 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | H708 I709 K713 K714 Q715 | H708-V711 PolarHBondContact O-N 3.39Å; I709-V711 VanDerWaalsContact C-N 3.34Å; I709-V711 PolarHBondContact O-N 3.49Å; V711-K713 VanDerWaalsContact C-N 3.32Å; V711-K713 PolarHBondContact O-N 3.44Å; V711-K714 PolarHBondContact O-N 3.48Å; V711-Q715 WeakPolarHBondContact O-CG 3.41Å; V711-Q715 PolarHBondContact O-N 3.06Å; V711-Q715 VanDerWaalsContact O-N 3.12Å |
| 712 | L | 97 | Very high | 92.8 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.9 | -37.1 | -179.4 | -63.7 | 171.2 | 0 | 0 | 0 | 111.5 | L126 F678 Y701 H708 I709 Q715 V716 | L126-L712 HydrophobicContact CD1-CB 3.81Å; L126-L712 HydrophobicContact CD2-CB 3.96Å; L126-L712 HydrophobicContact CD2-CD1 4.3Å; L126-L712 HydrophobicContact CG-CB 4.48Å; F678-L712 HydrophobicContact CB-CD1 4.29Å; F678-L712 HydrophobicContact CD1-CD1 4.1Å; F678-L712 HydrophobicContact CD1-CD2 3.68Å; F678-L712 HydrophobicContact CD1-CG 4.36Å; F678-L712 HydrophobicContact CD2-CD1 3.73Å; F678-L712 HydrophobicContact CE1-CB 4.31Å; F678-L712 HydrophobicContact CE1-CD1 4.39Å; F678-L712 HydrophobicContact CE1-CD2 4.05Å; F678-L712 HydrophobicContact CE1-CG 4.49Å; F678-L712 HydrophobicContact CE2-CD1 4.06Å; F678-L712 HydrophobicContact CG-CD1 3.76Å; F678-L712 HydrophobicContact CG-CD2 4.1Å; F678-L712 HydrophobicContact CZ-CB 4.34Å; F678-L712 HydrophobicContact CZ-CD1 4.38Å; Y701-L712 HydrophobicContact CE1-CD1 4.11Å; H708-L712 WeakPolarHBondContact O-CG 3.25Å; H708-L712 PolarHBondContact O-N 2.78Å; I709-L712 PolarHBondContact O-N 3.21Å; L712-Q715 WeakPolarHBondContact O-CB 3.01Å; L712-Q715 PolarHBondContact O-N 3Å; L712-V716 WeakPolarHBondContact O-CG2 3.24Å; L712-V716 PolarHBondContact O-N 3.32Å |
| 713 | K | 93.3 | Very high | 92.6 | Very high | 51 Ų | 51 | 30.2 Ų | 30.2 | 22% | 0.222 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.7 | -48.9 | 176 | -177.4 | -174.4 | 171.4 | -165.7 | 0 | 111.4 | L126 I709 V711 Q715 V716 E717 | L126-K713 HydrophobicContact CD1-CB 4.37Å; I709-K713 WeakPolarHBondContact O-CB 3.46Å; I709-K713 PolarHBondContact O-N 3.23Å; V711-K713 VanDerWaalsContact C-N 3.32Å; V711-K713 PolarHBondContact O-N 3.44Å; K713-Q715 VanDerWaalsContact C-N 3.28Å; K713-Q715 PolarHBondContact O-N 3.48Å; K713-V716 PolarHBondContact O-N 3.23Å; K713-E717 PolarHBondContact O-N 3.04Å |
| 714 | K | 93.8 | Very high | 92.2 | Very high | 103 Ų | 103 | 30.2 Ų | 30.2 | 45% | 0.448 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -57.7 | -41.6 | 174.7 | -78.8 | -169.7 | 168 | -156 | 0 | 112.1 | E710 V711 E717 A718 D766 L767 | E710-K714 PolarHBondContact O-N 3.18Å; V711-K714 PolarHBondContact O-N 3.48Å; K714-E717 PolarHBondContact O-N 3.24Å; K714-A718 WeakPolarHBondContact O-CB 3.37Å; K714-A718 PolarHBondContact O-N 3.47Å; K714-D766 PolarHBondContact NZ-O 2.63Å; K714-L767 HydrophobicContact CB-CB 4.48Å |
| 715 | Q | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 177.4 | -70 | 172.5 | -3.1 | 0 | 0 | 112.6 | H675 W679 V711 L712 K713 E717 A718 L719 L767 S768 P770 | H675-Q715 PolarHBondContact CE1-NE2 3.23Å; H675-Q715 PolarHBondContact CE1-OE1 3.04Å; W679-Q715 HydrophobicContact CH2-CB 4.45Å; W679-Q715 HydrophobicContact CZ2-CB 3.76Å; W679-Q715 VanDerWaalsContact NE1-OE1 3.12Å; V711-Q715 WeakPolarHBondContact O-CG 3.41Å; V711-Q715 PolarHBondContact O-N 3.06Å; V711-Q715 VanDerWaalsContact O-N 3.12Å; L712-Q715 WeakPolarHBondContact O-CB 3.01Å; L712-Q715 PolarHBondContact O-N 3Å; K713-Q715 VanDerWaalsContact C-N 3.28Å; K713-Q715 PolarHBondContact O-N 3.48Å; Q715-E717 VanDerWaalsContact C-N 3.33Å; Q715-A718 PolarHBondContact O-N 2.97Å; Q715-L719 WeakPolarHBondContact O-CB 3.28Å; Q715-L719 WeakPolarHBondContact O-CG 3.45Å; Q715-L719 PolarHBondContact O-N 3.17Å; Q715-L767 HydrophobicContact CG-CD1 4.38Å; Q715-S768 WeakPolarHBondContact CG-O 3.41Å; Q715-S768 PolarHBondContact NE2-O 3.01Å; Q715-P770 HydrophobicContact CB-CG 4.04Å; Q715-P770 HydrophobicContact CG-CG 3.9Å |
| 716 | V | 94.6 | Very high | 92 | Very high | 27 Ų | 27 | 29.5 Ų | 29.5 | 16% | 0.164 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -39.7 | 176.8 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | L126 W679 L712 K713 L719 T720 | L126-V716 HydrophobicContact CD1-CB 4.48Å; L126-V716 HydrophobicContact CD1-CG2 3.88Å; W679-V716 HydrophobicContact CH2-CG2 3.68Å; W679-V716 HydrophobicContact CZ2-CG2 4.39Å; W679-V716 HydrophobicContact CZ3-CG2 4.43Å; L712-V716 WeakPolarHBondContact O-CG2 3.24Å; L712-V716 PolarHBondContact O-N 3.32Å; K713-V716 PolarHBondContact O-N 3.23Å; V716-L719 PolarHBondContact O-N 3.17Å; V716-T720 WeakPolarHBondContact O-CB 3.38Å; V716-T720 PolarHBondContact O-N 3.3Å; V716-T720 PolarHBondContact O-OG1 2.86Å |
| 717 | E | 90.3 | Very high | 91.7 | Very high | 57 Ų | 57 | 32 Ų | 32 | 27% | 0.266 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.6 | -49.4 | 174.7 | -173.8 | 175.3 | -175.8 | 0 | 0 | 111.6 | K713 K714 Q715 L719 T720 K721 A763 | K713-E717 PolarHBondContact O-N 3.04Å; K714-E717 PolarHBondContact O-N 3.24Å; Q715-E717 VanDerWaalsContact C-N 3.33Å; E717-L719 PolarHBondContact O-N 3.43Å; E717-T720 WeakPolarHBondContact O-CB 3.2Å; E717-T720 PolarHBondContact O-N 2.91Å; E717-T720 VanDerWaalsContact O-N 3.1Å; E717-K721 PolarHBondContact O-N 3.15Å; E717-A763 HydrophobicContact CG-CB 4.14Å |
| 718 | A | 94.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.033 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.1 | -47.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | K714 Q715 T720 K721 L722 L764 L767 | K714-A718 WeakPolarHBondContact O-CB 3.37Å; K714-A718 PolarHBondContact O-N 3.47Å; Q715-A718 PolarHBondContact O-N 2.97Å; A718-T720 VanDerWaalsContact C-N 3.3Å; A718-T720 PolarHBondContact O-N 3.18Å; A718-K721 WeakPolarHBondContact O-CB 3.36Å; A718-K721 PolarHBondContact O-N 2.91Å; A718-L722 WeakPolarHBondContact O-CG 3.13Å; A718-L722 PolarHBondContact O-N 3.4Å; A718-L764 HydrophobicContact CB-CD2 3.85Å; A718-L764 WeakPolarHBondContact O-CD2 3.02Å; A718-L767 HydrophobicContact CB-CD1 3.66Å |
| 719 | L | 94.8 | Very high | 90.9 | Very high | 17 Ų | 17 | 31.5 Ų | 31.5 | 9% | 0.089 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -37.1 | 177 | -74.9 | 167.3 | 0 | 0 | 0 | 112.5 | W679 Q715 V716 E717 K721 L722 K723 F813 T853 L859 | W679-L719 HydrophobicContact CH2-CD1 3.29Å; W679-L719 HydrophobicContact CZ2-CD1 4.07Å; W679-L719 HydrophobicContact CZ3-CD1 3.66Å; Q715-L719 WeakPolarHBondContact O-CB 3.28Å; Q715-L719 WeakPolarHBondContact O-CG 3.45Å; Q715-L719 PolarHBondContact O-N 3.17Å; V716-L719 PolarHBondContact O-N 3.17Å; E717-L719 PolarHBondContact O-N 3.43Å; L719-K721 VanDerWaalsContact C-N 3.35Å; L719-L722 PolarHBondContact O-N 3.35Å; L719-K723 WeakPolarHBondContact O-CB 3.38Å; L719-K723 PolarHBondContact O-N 2.94Å; L719-F813 HydrophobicContact CD2-CD2 3.97Å; L719-F813 HydrophobicContact CD2-CE2 3.95Å; L719-T853 HydrophobicContact CD1-CG2 3.86Å; L719-T853 HydrophobicContact CD2-CG2 4.41Å; L719-L859 HydrophobicContact CD2-CD1 4.07Å; L719-L859 HydrophobicContact CD2-CD2 3.82Å; L719-L859 HydrophobicContact CD2-CG 3.97Å |
| 720 | T | 89.4 | Confident | 90.5 | Very high | 60 Ų | 60 | 32.8 Ų | 32.8 | 37% | 0.368 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.9 | -42.1 | 175.9 | -60 | 0 | 0 | 0 | 0 | 110.9 | V716 E717 A718 K723 S724 | V716-T720 WeakPolarHBondContact O-CB 3.38Å; V716-T720 PolarHBondContact O-N 3.3Å; V716-T720 PolarHBondContact O-OG1 2.86Å; E717-T720 WeakPolarHBondContact O-CB 3.2Å; E717-T720 PolarHBondContact O-N 2.91Å; E717-T720 VanDerWaalsContact O-N 3.1Å; A718-T720 VanDerWaalsContact C-N 3.3Å; A718-T720 PolarHBondContact O-N 3.18Å; T720-K723 WeakPolarHBondContact O-CB 3.27Å; T720-K723 PolarHBondContact O-N 3.37Å; T720-S724 PolarHBondContact O-N 3.46Å; T720-S724 VanDerWaalsContact O-N 3.09Å; T720-S724 PolarHBondContact O-OG 3.48Å |
| 721 | K | 87.6 | Confident | 89.8 | Confident | 23 Ų | 23 | 32.5 Ų | 32.5 | 10% | 0.1 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.5 | -45.1 | 174.5 | -67.6 | -67.1 | -175.7 | 175 | 0 | 112 | D97 E717 A718 L719 K723 S724 V725 G759 Y760 A763 L764 | D97-K721 WeakPolarHBondContact OD1-CE 3.14Å; D97-K721 IonicContact OD1-NZ 3.57Å; D97-K721 PolarHBondContact OD1-NZ 2.85Å; E717-K721 PolarHBondContact O-N 3.15Å; A718-K721 WeakPolarHBondContact O-CB 3.36Å; A718-K721 PolarHBondContact O-N 2.91Å; L719-K721 VanDerWaalsContact C-N 3.35Å; K721-K723 VanDerWaalsContact C-N 3.29Å; K721-K723 PolarHBondContact O-N 3.01Å; K721-S724 WeakPolarHBondContact O-CB 3.37Å; K721-S724 PolarHBondContact O-N 3.17Å; K721-S724 VanDerWaalsContact O-N 3.14Å; K721-V725 WeakPolarHBondContact O-CG2 3.3Å; K721-V725 PolarHBondContact O-N 3.32Å; K721-G759 WeakPolarHBondContact CE-O 3.45Å; K721-Y760 HydrophobicContact CB-CD1 3.8Å; K721-Y760 HydrophobicContact CB-CE1 3.78Å; K721-Y760 HydrophobicContact CD-CD1 3.9Å; K721-Y760 HydrophobicContact CD-CE1 3.64Å; K721-Y760 HydrophobicContact CD-CE2 4.36Å; K721-Y760 HydrophobicContact CD-CG 4.35Å; K721-Y760 HydrophobicContact CG-CD1 4.26Å; K721-Y760 HydrophobicContact CG-CE1 4.27Å; K721-A763 HydrophobicContact CG-CB 3.92Å; K721-L764 HydrophobicContact CB-CD2 4.18Å; K721-L764 HydrophobicContact CB-CG 4.44Å |
| 722 | L | 93.3 | Very high | 88.7 | Confident | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.5 | -38.7 | 175.7 | -68 | 175.7 | 0 | 0 | 0 | 112.2 | A718 L719 V725 N726 L764 L795 I797 F813 | A718-L722 WeakPolarHBondContact O-CG 3.13Å; A718-L722 PolarHBondContact O-N 3.4Å; L719-L722 PolarHBondContact O-N 3.35Å; L722-V725 PolarHBondContact O-N 3.35Å; L722-N726 WeakPolarHBondContact O-CB 3.36Å; L722-N726 PolarHBondContact O-N 2.87Å; L722-L764 HydrophobicContact CD1-CD2 4.44Å; L722-L764 HydrophobicContact CD2-CD1 4.26Å; L722-L764 HydrophobicContact CD2-CD2 3.98Å; L722-L764 HydrophobicContact CG-CD2 3.82Å; L722-L795 HydrophobicContact CB-CD1 4.4Å; L722-L795 HydrophobicContact CD2-CD1 4.21Å; L722-L795 WeakPolarHBondContact O-CD1 3.42Å; L722-I797 HydrophobicContact CD2-CD1 3.99Å; L722-I797 HydrophobicContact CD2-CG1 3.79Å; L722-F813 HydrophobicContact CB-CB 4.38Å; L722-F813 HydrophobicContact CB-CD1 3.86Å; L722-F813 HydrophobicContact CB-CD2 4Å; L722-F813 HydrophobicContact CB-CE1 4.09Å; L722-F813 HydrophobicContact CB-CE2 4.23Å; L722-F813 HydrophobicContact CB-CG 3.8Å; L722-F813 HydrophobicContact CB-CZ 4.27Å; L722-F813 HydrophobicContact CD1-CB 4.07Å; L722-F813 HydrophobicContact CD1-CD2 4.2Å; L722-F813 HydrophobicContact CD1-CG 4.19Å |
| 723 | K | 90.5 | Very high | 87.4 | Confident | 87 Ų | 87 | 33.8 Ų | 33.8 | 38% | 0.378 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60 | -46.6 | 173.2 | -169.6 | 175.2 | -179.2 | 178.3 | 0 | 111.4 | L719 T720 K721 V725 N726 E727 F813 | L719-K723 WeakPolarHBondContact O-CB 3.38Å; L719-K723 PolarHBondContact O-N 2.94Å; T720-K723 WeakPolarHBondContact O-CB 3.27Å; T720-K723 PolarHBondContact O-N 3.37Å; K721-K723 VanDerWaalsContact C-N 3.29Å; K721-K723 PolarHBondContact O-N 3.01Å; K723-V725 PolarHBondContact O-N 3.27Å; K723-N726 PolarHBondContact O-N 3.48Å; K723-E727 WeakPolarHBondContact O-CG 3.38Å; K723-E727 PolarHBondContact O-N 3.47Å; K723-F813 HydrophobicContact CB-CE1 4.38Å; K723-F813 HydrophobicContact CB-CZ 3.93Å |
| 724 | S | 85.2 | Confident | 86.1 | Confident | 14 Ų | 14 | 38 Ų | 38 | 10% | 0.098 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.8 | -43.6 | 176.1 | -68.1 | 0 | 0 | 0 | 0 | 112.8 | T720 K721 N726 E727 L728 | T720-S724 PolarHBondContact O-N 3.46Å; T720-S724 VanDerWaalsContact O-N 3.09Å; T720-S724 PolarHBondContact O-OG 3.48Å; K721-S724 WeakPolarHBondContact O-CB 3.37Å; K721-S724 PolarHBondContact O-N 3.17Å; K721-S724 VanDerWaalsContact O-N 3.14Å; S724-N726 PolarHBondContact O-N 3.4Å; S724-E727 PolarHBondContact O-N 2.96Å; S724-L728 WeakPolarHBondContact O-CB 3.45Å; S724-L728 PolarHBondContact O-N 2.92Å |
| 725 | V | 87.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 175.2 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | K721 L722 K723 L728 I729 M751 L755 Y760 L795 | K721-V725 WeakPolarHBondContact O-CG2 3.3Å; K721-V725 PolarHBondContact O-N 3.32Å; L722-V725 PolarHBondContact O-N 3.35Å; K723-V725 PolarHBondContact O-N 3.27Å; V725-L728 WeakPolarHBondContact O-CB 3.5Å; V725-L728 PolarHBondContact O-N 3.41Å; V725-I729 HydrophobicContact CG1-CD1 4.25Å; V725-I729 WeakPolarHBondContact O-CG1 3.25Å; V725-I729 PolarHBondContact O-N 2.95Å; V725-I729 VanDerWaalsContact O-N 3.09Å; V725-M751 HydrophobicContact CG1-CG 4.08Å; V725-L755 HydrophobicContact CG2-CD2 4.22Å; V725-Y760 HydrophobicContact CG2-CD1 3.83Å; V725-Y760 HydrophobicContact CG2-CE1 3.53Å; V725-L795 HydrophobicContact CB-CD1 3.9Å; V725-L795 HydrophobicContact CG1-CD1 3.85Å; V725-L795 HydrophobicContact CG1-CD2 4.19Å |
| 726 | N | 90.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 179.7 | 178.5 | -102.6 | 0 | 0 | 0 | 112.2 | L722 K723 S724 I729 K730 M792 K793 L795 F813 N815 | L722-N726 WeakPolarHBondContact O-CB 3.36Å; L722-N726 PolarHBondContact O-N 2.87Å; K723-N726 PolarHBondContact O-N 3.48Å; S724-N726 PolarHBondContact O-N 3.4Å; N726-I729 PolarHBondContact O-N 3.24Å; N726-K730 WeakPolarHBondContact O-CG 3.31Å; N726-K730 PolarHBondContact O-N 3.47Å; N726-K730 WeakPolarHBondContact OD1-CE 3.5Å; N726-K730 PolarHBondContact OD1-NZ 2.97Å; N726-M792 PolarHBondContact ND2-O 3.33Å; N726-K793 PolarHBondContact ND2-O 3.05Å; N726-L795 HydrophobicContact CB-CD1 4.02Å; N726-L795 HydrophobicContact CB-CD2 4.28Å; N726-L795 HydrophobicContact CB-CG 4.05Å; N726-F813 HydrophobicContact CB-CD1 4.25Å; N726-F813 HydrophobicContact CB-CE1 3.91Å; N726-N815 WeakPolarHBondContact OD1-CB 3.46Å; N726-N815 PolarHBondContact OD1-ND2 3.36Å |
| 727 | E | 85.4 | Confident | 80.3 | Confident | 70 Ų | 70 | 48.2 Ų | 48.2 | 33% | 0.327 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 176 | -68.5 | -54.4 | 138.7 | 0 | 0 | 112.4 | K723 S724 I729 K730 L731 N815 | K723-E727 WeakPolarHBondContact O-CG 3.38Å; K723-E727 PolarHBondContact O-N 3.47Å; S724-E727 PolarHBondContact O-N 2.96Å; E727-I729 VanDerWaalsContact C-N 3.31Å; E727-I729 PolarHBondContact O-N 2.67Å; E727-K730 PolarHBondContact O-N 3.46Å; E727-K730 IonicContact OE1-NZ 3.6Å; E727-K730 PolarHBondContact OE1-NZ 2.9Å; E727-L731 WeakPolarHBondContact O-CB 3.33Å; E727-L731 WeakPolarHBondContact O-CG 3.48Å; E727-L731 PolarHBondContact O-N 3.09Å; E727-N815 PolarHBondContact OE1-ND2 2.89Å |
| 728 | L | 82.2 | Confident | 78.3 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.1 | -45.5 | 171 | 171.8 | 64.8 | 0 | 0 | 0 | 111.4 | H15 S724 V725 G732 C754 | H15-L728 HydrophobicContact CB-CD1 4.08Å; S724-L728 WeakPolarHBondContact O-CB 3.45Å; S724-L728 PolarHBondContact O-N 2.92Å; V725-L728 WeakPolarHBondContact O-CB 3.5Å; V725-L728 PolarHBondContact O-N 3.41Å; L728-G732 PolarHBondContact O-N 3.42Å; L728-C754 HydrophobicContact CD2-CB 4.22Å |
| 729 | I | 84.4 | Confident | 76.5 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 179.4 | -66.3 | 177.2 | 0 | 0 | 0 | 111 | V725 N726 E727 L731 G732 T733 T747 M751 Y787 K793 L795 | V725-I729 HydrophobicContact CG1-CD1 4.25Å; V725-I729 WeakPolarHBondContact O-CG1 3.25Å; V725-I729 PolarHBondContact O-N 2.95Å; V725-I729 VanDerWaalsContact O-N 3.09Å; N726-I729 PolarHBondContact O-N 3.24Å; E727-I729 VanDerWaalsContact C-N 3.31Å; E727-I729 PolarHBondContact O-N 2.67Å; I729-L731 VanDerWaalsContact C-N 3.35Å; I729-L731 PolarHBondContact O-N 3.42Å; I729-G732 PolarHBondContact O-N 3.2Å; I729-T733 WeakPolarHBondContact O-CG2 3.4Å; I729-T733 PolarHBondContact O-N 2.97Å; I729-T733 PolarHBondContact O-OG1 2.92Å; I729-T747 HydrophobicContact CB-CG2 4.44Å; I729-T747 HydrophobicContact CG1-CG2 4.35Å; I729-T747 HydrophobicContact CG2-CG2 4.05Å; I729-M751 HydrophobicContact CD1-CB 4.1Å; I729-M751 HydrophobicContact CD1-CG 4.01Å; I729-M751 HydrophobicContact CD1-SD 3.67Å; I729-M751 HydrophobicContact CG1-CB 4.48Å; I729-Y787 HydrophobicContact CD1-CD1 3.89Å; I729-Y787 HydrophobicContact CD1-CG 4.07Å; I729-Y787 HydrophobicContact CG2-CD1 4.13Å; I729-Y787 HydrophobicContact CG2-CD2 4.04Å; I729-Y787 HydrophobicContact CG2-CE2 4.42Å; I729-Y787 HydrophobicContact CG2-CG 3.88Å; I729-K793 HydrophobicContact CG2-CB 3.93Å; I729-K793 HydrophobicContact CG2-CG 4.31Å; I729-L795 HydrophobicContact CD1-CD2 3.39Å |
| 730 | K | 84.1 | Confident | 74.9 | Confident | 31 Ų | 31 | 66.2 Ų | 66.2 | 14% | 0.135 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.3 | -47.3 | 176.7 | -73.6 | 174 | -179 | 167.6 | 0 | 111.6 | N726 E727 T733 L734 M792 N815 | N726-K730 WeakPolarHBondContact O-CG 3.31Å; N726-K730 PolarHBondContact O-N 3.47Å; N726-K730 WeakPolarHBondContact OD1-CE 3.5Å; N726-K730 PolarHBondContact OD1-NZ 2.97Å; E727-K730 PolarHBondContact O-N 3.46Å; E727-K730 IonicContact OE1-NZ 3.6Å; E727-K730 PolarHBondContact OE1-NZ 2.9Å; K730-T733 PolarHBondContact O-N 2.9Å; K730-T733 PolarHBondContact O-OG1 2.99Å; K730-L734 WeakPolarHBondContact O-CG 3.27Å; K730-L734 PolarHBondContact O-N 3.06Å; K730-L734 VanDerWaalsContact O-N 3.16Å; K730-M792 VanDerWaalsContact CE-O 3.28Å; K730-M792 WeakPolarHBondContact CE-O 3.45Å; K730-N815 WeakPolarHBondContact CE-O 3.24Å; K730-N815 PolarHBondContact NZ-ND2 3.11Å; K730-N815 PolarHBondContact NZ-O 3.35Å |
| 731 | L | 76.5 | Confident | 73.7 | Confident | 78 Ų | 78 | 69.1 Ų | 69.1 | 41% | 0.408 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 176.9 | -75.3 | 166.8 | 0 | 0 | 0 | 112.4 | E727 I729 T733 L734 K735 | E727-L731 WeakPolarHBondContact O-CB 3.33Å; E727-L731 WeakPolarHBondContact O-CG 3.48Å; E727-L731 PolarHBondContact O-N 3.09Å; I729-L731 VanDerWaalsContact C-N 3.35Å; I729-L731 PolarHBondContact O-N 3.42Å; L731-T733 VanDerWaalsContact C-N 3.28Å; L731-T733 PolarHBondContact O-N 3.15Å; L731-L734 PolarHBondContact O-N 2.95Å; L731-K735 PolarHBondContact O-N 3.08Å |
| 732 | G | 70.5 | Confident | 72.6 | Confident | 9 Ų | 9 | 75.4 Ų | 75.4 | 9% | 0.093 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.7 | -38.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L728 I729 | L728-G732 PolarHBondContact O-N 3.42Å; I729-G732 PolarHBondContact O-N 3.2Å |
| 733 | T | 69.9 | Low | 71.5 | Confident | 59 Ų | 59 | 77 Ų | 77 | 36% | 0.362 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -76.9 | -20.1 | 178 | 61.3 | 0 | 0 | 0 | 0 | 114.7 | I729 K730 L731 | I729-T733 WeakPolarHBondContact O-CG2 3.4Å; I729-T733 PolarHBondContact O-N 2.97Å; I729-T733 PolarHBondContact O-OG1 2.92Å; K730-T733 PolarHBondContact O-N 2.9Å; K730-T733 PolarHBondContact O-OG1 2.99Å; L731-T733 VanDerWaalsContact C-N 3.28Å; L731-T733 PolarHBondContact O-N 3.15Å |
| 734 | L | 66.9 | Low | 70.5 | Confident | 140 Ų | 140 | 74.8 Ų | 74.8 | 73% | 0.733 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -88.1 | -34.2 | -178.4 | -77.8 | 163.8 | 0 | 0 | 0 | 113.5 | K730 L731 | K730-L734 WeakPolarHBondContact O-CG 3.27Å; K730-L734 PolarHBondContact O-N 3.06Å; K730-L734 VanDerWaalsContact O-N 3.16Å; L731-L734 PolarHBondContact O-N 2.95Å |
| 735 | K | 57.5 | Low | 69.9 | Low | 154 Ų | 154 | 80.6 Ų | 80.6 | 67% | 0.67 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -81.1 | -20.3 | -169.7 | -75.7 | -174.8 | 177.2 | 179.6 | 0 | 115.1 | L731 | L731-K735 PolarHBondContact O-N 3.08Å |
| 736 | N | 53.1 | Low | 69.3 | Low | 89 Ų | 89 | 84.4 Ų | 84.4 | 48% | 0.476 | 44% | 0.438 | S | S | . | . | trans | -130.8 | 110.9 | -169.8 | -65.2 | -34.6 | 0 | 0 | 0 | 111 | ||||
| 737 | A | 51.8 | Low | 68.7 | Low | 102 Ų | 102 | 85 Ų | 85 | 84% | 0.843 | 44% | 0.442 | S | S | * | . | trans | -109.4 | 25.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 738 | R | 49.8 | Very low | 68.6 | Low | 231 Ų | 231 | 86.1 Ų | 86.1 | 87% | 0.872 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -129.1 | 93.8 | -176.7 | -78.8 | -173.2 | 179 | 174 | 0.8 | 111 | E743 | R738-E743 WeakPolarHBondContact CA-OE1 3.31Å; R738-E743 PolarHBondContact N-OE1 3.49Å |
| 739 | S | 56.7 | Low | 68.7 | Low | 81 Ų | 81 | 90.9 Ų | 90.9 | 57% | 0.566 | 47% | 0.467 | S | S | * | . | trans | 90.6 | 88.1 | 173.9 | -167 | 0 | 0 | 0 | 0 | 115.8 | T741 K742 E743 | S739-T741 VanDerWaalsContact C-N 3.33Å; S739-T741 PolarHBondContact O-N 3.31Å; S739-T741 VanDerWaalsContact O-N 3.14Å; S739-K742 PolarHBondContact O-N 3.46Å; S739-E743 VanDerWaalsContact C-OE2 3.25Å; S739-E743 VanDerWaalsContact O-CG 3.25Å; S739-E743 WeakPolarHBondContact O-CG 3.28Å; S739-E743 PolarHBondContact O-N 3.25Å | ||
| 740 | K | 61.1 | Low | 68.5 | Low | 143 Ų | 143 | 91.3 Ų | 91.3 | 62% | 0.622 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -50.1 | -39.6 | -174.8 | -69.3 | -179.5 | 176.2 | 176.1 | 0 | 115 | A744 S1079 | K740-A744 WeakPolarHBondContact O-CB 3.46Å; K740-A744 PolarHBondContact O-N 2.76Å; K740-A744 VanDerWaalsContact O-N 3.12Å; K740-S1079 VanDerWaalsContact NZ-C 3.34Å; K740-S1079 PolarHBondContact NZ-O 3.07Å |
| 741 | T | 63.9 | Low | 68.6 | Low | 122 Ų | 122 | 89.9 Ų | 89.9 | 75% | 0.748 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -76.8 | -42.9 | -172.1 | -45.9 | 0 | 0 | 0 | 0 | 113.5 | S739 E743 M745 | S739-T741 VanDerWaalsContact C-N 3.33Å; S739-T741 PolarHBondContact O-N 3.31Å; S739-T741 VanDerWaalsContact O-N 3.14Å; T741-E743 VanDerWaalsContact C-N 3.34Å; T741-M745 PolarHBondContact O-N 3.14Å |
| 742 | K | 65 | Low | 69.1 | Low | 155 Ų | 155 | 87.3 Ų | 87.3 | 67% | 0.674 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -71 | -34.3 | 178.8 | -170.5 | 177 | 179.1 | -179.5 | 0 | 111.1 | S739 M745 L746 | S739-K742 PolarHBondContact O-N 3.46Å; K742-M745 PolarHBondContact O-N 2.88Å; K742-L746 WeakPolarHBondContact O-CG 3.43Å; K742-L746 PolarHBondContact O-N 3.33Å; K742-L746 VanDerWaalsContact O-N 3.13Å |
| 743 | E | 69.7 | Low | 69.8 | Low | 41 Ų | 41 | 90.4 Ų | 90.4 | 19% | 0.192 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -71 | -40.3 | 178.9 | -68.4 | 169.4 | 155.9 | 0 | 0 | 112.5 | R738 S739 T741 M745 L746 T747 | R738-E743 WeakPolarHBondContact CA-OE1 3.31Å; R738-E743 PolarHBondContact N-OE1 3.49Å; S739-E743 VanDerWaalsContact C-OE2 3.25Å; S739-E743 VanDerWaalsContact O-CG 3.25Å; S739-E743 WeakPolarHBondContact O-CG 3.28Å; S739-E743 PolarHBondContact O-N 3.25Å; T741-E743 VanDerWaalsContact C-N 3.34Å; E743-M745 VanDerWaalsContact C-N 3.26Å; E743-M745 PolarHBondContact O-N 2.96Å; E743-L746 PolarHBondContact O-N 2.87Å; E743-T747 WeakPolarHBondContact O-CB 3.46Å; E743-T747 PolarHBondContact O-N 3.24Å; E743-T747 PolarHBondContact O-OG1 2.72Å |
| 744 | A | 68.6 | Low | 70.5 | Confident | 40 Ų | 40 | 87.8 Ų | 87.8 | 33% | 0.331 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.2 | -37.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K740 K748 Y787 | K740-A744 WeakPolarHBondContact O-CB 3.46Å; K740-A744 PolarHBondContact O-N 2.76Å; K740-A744 VanDerWaalsContact O-N 3.12Å; A744-K748 WeakPolarHBondContact O-CB 3.13Å; A744-K748 PolarHBondContact O-N 2.74Å; A744-Y787 PolarHBondContact O-OH 2.73Å |
| 745 | M | 72.1 | Confident | 71.5 | Confident | 136 Ų | 136 | 81.2 Ų | 81.2 | 67% | 0.67 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.4 | -48.2 | 175.6 | -173.4 | 176.2 | 175.1 | 0 | 0 | 111.9 | T741 K742 E743 T747 K748 E749 | T741-M745 PolarHBondContact O-N 3.14Å; K742-M745 PolarHBondContact O-N 2.88Å; E743-M745 VanDerWaalsContact C-N 3.26Å; E743-M745 PolarHBondContact O-N 2.96Å; M745-T747 VanDerWaalsContact C-N 3.33Å; M745-T747 PolarHBondContact O-N 3.44Å; M745-K748 PolarHBondContact O-N 2.96Å; M745-E749 WeakPolarHBondContact O-CB 3.39Å; M745-E749 PolarHBondContact O-N 2.93Å |
| 746 | L | 75.6 | Confident | 73 | Confident | 81 Ų | 81 | 80.8 Ų | 80.8 | 42% | 0.424 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 176.7 | -71.3 | 170.6 | 0 | 0 | 0 | 112.4 | K742 E743 E749 A750 | K742-L746 WeakPolarHBondContact O-CG 3.43Å; K742-L746 PolarHBondContact O-N 3.33Å; K742-L746 VanDerWaalsContact O-N 3.13Å; E743-L746 PolarHBondContact O-N 2.87Å; L746-E749 PolarHBondContact O-N 3.38Å; L746-A750 WeakPolarHBondContact O-CB 3.29Å; L746-A750 PolarHBondContact O-N 2.98Å |
| 747 | T | 78.6 | Confident | 74.4 | Confident | 13 Ų | 13 | 80.4 Ų | 80.4 | 8% | 0.08 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 177.1 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | I729 E743 M745 A750 M751 Y787 | I729-T747 HydrophobicContact CB-CG2 4.44Å; I729-T747 HydrophobicContact CG1-CG2 4.35Å; I729-T747 HydrophobicContact CG2-CG2 4.05Å; E743-T747 WeakPolarHBondContact O-CB 3.46Å; E743-T747 PolarHBondContact O-N 3.24Å; E743-T747 PolarHBondContact O-OG1 2.72Å; M745-T747 VanDerWaalsContact C-N 3.33Å; M745-T747 PolarHBondContact O-N 3.44Å; T747-A750 PolarHBondContact O-N 2.81Å; T747-M751 PolarHBondContact O-N 3.12Å; T747-Y787 HydrophobicContact CG2-CE1 4.13Å |
| 748 | K | 82.9 | Confident | 75.8 | Confident | 92 Ų | 92 | 78.6 Ų | 78.6 | 40% | 0.4 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 174 | -174.9 | 178.1 | 179.2 | -177 | 0 | 111.5 | A744 M745 A750 M751 I752 Y787 | A744-K748 WeakPolarHBondContact O-CB 3.13Å; A744-K748 PolarHBondContact O-N 2.74Å; M745-K748 PolarHBondContact O-N 2.96Å; K748-A750 VanDerWaalsContact C-N 3.35Å; K748-M751 WeakPolarHBondContact O-CB 3.32Å; K748-M751 PolarHBondContact O-N 3.46Å; K748-I752 HydrophobicContact CG-CD1 4.11Å; K748-I752 WeakPolarHBondContact O-CG1 3.42Å; K748-I752 PolarHBondContact O-N 3.31Å; K748-Y787 HydrophobicContact CB-CE1 4.32Å |
| 749 | E | 83.1 | Confident | 77.2 | Confident | 109 Ų | 109 | 67.7 Ų | 67.7 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 176.1 | -172.5 | 174.4 | -173.2 | 0 | 0 | 111.9 | M745 L746 I752 T753 | M745-E749 WeakPolarHBondContact O-CB 3.39Å; M745-E749 PolarHBondContact O-N 2.93Å; L746-E749 PolarHBondContact O-N 3.38Å; E749-I752 PolarHBondContact O-N 3.4Å; E749-T753 WeakPolarHBondContact O-CB 3.33Å; E749-T753 PolarHBondContact O-N 3.25Å; E749-T753 PolarHBondContact O-OG1 3.04Å |
| 750 | A | 80.4 | Confident | 78.6 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L746 T747 K748 T753 C754 | L746-A750 WeakPolarHBondContact O-CB 3.29Å; L746-A750 PolarHBondContact O-N 2.98Å; T747-A750 PolarHBondContact O-N 2.81Å; K748-A750 VanDerWaalsContact C-N 3.35Å; A750-T753 PolarHBondContact O-N 2.91Å; A750-C754 VanDerWaalsContact O-CB 3.32Å; A750-C754 WeakPolarHBondContact O-CB 3.43Å; A750-C754 PolarHBondContact O-N 2.67Å |
| 751 | M | 86.4 | Confident | 79.9 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -50.5 | 173.2 | 174.7 | -175.2 | 172.7 | 0 | 0 | 111.3 | V725 I729 T747 K748 T753 C754 L755 C785 Y787 I797 | V725-M751 HydrophobicContact CG1-CG 4.08Å; I729-M751 HydrophobicContact CD1-CB 4.1Å; I729-M751 HydrophobicContact CD1-CG 4.01Å; I729-M751 HydrophobicContact CD1-SD 3.67Å; I729-M751 HydrophobicContact CG1-CB 4.48Å; T747-M751 PolarHBondContact O-N 3.12Å; K748-M751 WeakPolarHBondContact O-CB 3.32Å; K748-M751 PolarHBondContact O-N 3.46Å; M751-T753 VanDerWaalsContact C-N 3.34Å; M751-T753 PolarHBondContact O-N 3.02Å; M751-C754 PolarHBondContact O-N 3Å; M751-L755 HydrophobicContact CE-CD1 3.76Å; M751-L755 HydrophobicContact CG-CD1 4.05Å; M751-L755 WeakPolarHBondContact O-CG 3.45Å; M751-L755 PolarHBondContact O-N 3.45Å; M751-C785 HydrophobicContact CE-CB 3.88Å; M751-Y787 HydrophobicContact SD-CD1 4.21Å; M751-I797 HydrophobicContact CE-CD1 4.09Å |
| 752 | I | 87.5 | Confident | 81.1 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 179.4 | -71.3 | 168.6 | 0 | 0 | 0 | 110.8 | K748 E749 C754 L755 R756 V782 | K748-I752 HydrophobicContact CG-CD1 4.11Å; K748-I752 WeakPolarHBondContact O-CG1 3.42Å; K748-I752 PolarHBondContact O-N 3.31Å; E749-I752 PolarHBondContact O-N 3.4Å; I752-C754 VanDerWaalsContact C-N 3.33Å; I752-C754 PolarHBondContact O-N 3.42Å; I752-L755 PolarHBondContact O-N 3.26Å; I752-R756 WeakPolarHBondContact O-CG 3.48Å; I752-R756 PolarHBondContact O-N 3.49Å; I752-R756 VanDerWaalsContact O-N 3.1Å; I752-V782 HydrophobicContact CB-CG1 4.25Å; I752-V782 HydrophobicContact CG1-CG1 4.24Å; I752-V782 HydrophobicContact CG2-CG1 3.87Å |
| 753 | T | 84.9 | Confident | 82.2 | Confident | 73 Ų | 73 | 52.7 Ų | 52.7 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 178.3 | -57.4 | 0 | 0 | 0 | 0 | 111 | E749 A750 M751 R756 Q757 | E749-T753 WeakPolarHBondContact O-CB 3.33Å; E749-T753 PolarHBondContact O-N 3.25Å; E749-T753 PolarHBondContact O-OG1 3.04Å; A750-T753 PolarHBondContact O-N 2.91Å; M751-T753 VanDerWaalsContact C-N 3.34Å; M751-T753 PolarHBondContact O-N 3.02Å; T753-R756 PolarHBondContact O-N 3.41Å; T753-Q757 PolarHBondContact O-N 3.09Å |
| 754 | C | 84.8 | Confident | 83.4 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.027 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 177.4 | -170 | 0 | 0 | 0 | 0 | 112 | L728 A750 M751 I752 R756 Q757 Y760 | L728-C754 HydrophobicContact CD2-CB 4.22Å; A750-C754 VanDerWaalsContact O-CB 3.32Å; A750-C754 WeakPolarHBondContact O-CB 3.43Å; A750-C754 PolarHBondContact O-N 2.67Å; M751-C754 PolarHBondContact O-N 3Å; I752-C754 VanDerWaalsContact C-N 3.33Å; I752-C754 PolarHBondContact O-N 3.42Å; C754-R756 PolarHBondContact O-N 3.25Å; C754-Q757 WeakPolarHBondContact O-CB 3.23Å; C754-Q757 PolarHBondContact O-N 3.45Å; C754-Q757 VanDerWaalsContact O-N 3.17Å; C754-Y760 WeakPolarHBondContact O-CB 3.43Å; C754-Y760 WeakPolarHBondContact O-CD2 3.39Å; C754-Y760 VanDerWaalsContact SG-CE2 3.57Å; C754-Y760 VanDerWaalsContact SG-CZ 3.56Å |
| 755 | L | 87.9 | Confident | 84.5 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65 | -26.5 | 179.3 | -71.7 | 174.9 | 0 | 0 | 0 | 113.4 | V725 M751 I752 L764 I780 V782 C785 | V725-L755 HydrophobicContact CG2-CD2 4.22Å; M751-L755 HydrophobicContact CE-CD1 3.76Å; M751-L755 HydrophobicContact CG-CD1 4.05Å; M751-L755 WeakPolarHBondContact O-CG 3.45Å; M751-L755 PolarHBondContact O-N 3.45Å; I752-L755 PolarHBondContact O-N 3.26Å; L755-L764 HydrophobicContact CD2-CD1 3.79Å; L755-I780 HydrophobicContact CD2-CD1 4.45Å; L755-V782 HydrophobicContact CB-CG1 4.05Å; L755-V782 HydrophobicContact CB-CG2 4.31Å; L755-V782 HydrophobicContact CD1-CG1 4.33Å; L755-C785 HydrophobicContact CD1-CB 4.13Å |
| 756 | R | 88.9 | Confident | 85.5 | Confident | 145 Ų | 145 | 46.5 Ų | 46.5 | 55% | 0.547 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -9.3 | 176.4 | -71.6 | 179.9 | -176.4 | 162.1 | -0.9 | 114.1 | I752 T753 C754 V782 E783 | I752-R756 WeakPolarHBondContact O-CG 3.48Å; I752-R756 PolarHBondContact O-N 3.49Å; I752-R756 VanDerWaalsContact O-N 3.1Å; T753-R756 PolarHBondContact O-N 3.41Å; C754-R756 PolarHBondContact O-N 3.25Å; R756-V782 HydrophobicContact CG-CG1 4.24Å; R756-V782 HydrophobicContact CG-CG2 4.41Å; R756-E783 IonicContact CZ-OE1 3.2Å; R756-E783 IonicContact NH2-OE1 3.47Å; R756-E783 PolarHBondContact NH2-OE1 2.97Å; R756-E783 IonicContact NH2-OE2 3.36Å |
| 757 | Q | 83.6 | Confident | 86.4 | Confident | 82 Ų | 82 | 43.1 Ų | 43.1 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -63.1 | 139.1 | 173.9 | -68.2 | 175.8 | -15.3 | 0 | 0 | 109.1 | T753 C754 G759 Y760 S761 | T753-Q757 PolarHBondContact O-N 3.09Å; C754-Q757 WeakPolarHBondContact O-CB 3.23Å; C754-Q757 PolarHBondContact O-N 3.45Å; C754-Q757 VanDerWaalsContact O-N 3.17Å; Q757-G759 PolarHBondContact O-N 2.78Å; Q757-Y760 HydrophobicContact CB-CD2 4.09Å; Q757-Y760 PolarHBondContact O-N 2.85Å; Q757-S761 PolarHBondContact O-N 3.28Å; Q757-S761 PolarHBondContact O-OG 2.94Å |
| 758 | S | 81.2 | Confident | 87.1 | Confident | 64 Ų | 64 | 43.5 Ų | 43.5 | 45% | 0.448 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -51.2 | -37.5 | -176.3 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | R94 Y760 S761 E762 | R94-S758 VanDerWaalsContact NH1-C 3.29Å; R94-S758 PolarHBondContact NH1-OG 3.17Å; S758-Y760 VanDerWaalsContact C-N 3.33Å; S758-Y760 PolarHBondContact O-N 3.02Å; S758-S761 WeakPolarHBondContact CA-OG 3.39Å; S758-S761 PolarHBondContact O-N 3.35Å; S758-S761 PolarHBondContact O-OG 3.49Å; S758-S761 VanDerWaalsContact O-OG 3.08Å; S758-E762 VanDerWaalsContact O-CB 3.32Å; S758-E762 WeakPolarHBondContact O-CB 3.36Å; S758-E762 VanDerWaalsContact O-CD 3.31Å; S758-E762 WeakPolarHBondContact O-CG 3.32Å; S758-E762 PolarHBondContact O-N 2.97Å |
| 759 | G | 78.4 | Confident | 87.8 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -78.3 | -10.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | K721 Q757 A763 | K721-G759 WeakPolarHBondContact CE-O 3.45Å; Q757-G759 PolarHBondContact O-N 2.78Å; G759-A763 WeakPolarHBondContact O-CB 3.35Å |
| 760 | Y | 86.6 | Confident | 88.4 | Confident | 13 Ų | 13 | 34.4 Ų | 34.4 | 5% | 0.051 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -93.9 | -42.8 | 167 | -76.2 | -95.1 | 0 | 0 | 0 | 110.5 | H15 K721 V725 C754 Q757 S758 E762 L764 | H15-Y760 PolarHBondContact CE1-OH 3.04Å; K721-Y760 HydrophobicContact CB-CD1 3.8Å; K721-Y760 HydrophobicContact CB-CE1 3.78Å; K721-Y760 HydrophobicContact CD-CD1 3.9Å; K721-Y760 HydrophobicContact CD-CE1 3.64Å; K721-Y760 HydrophobicContact CD-CE2 4.36Å; K721-Y760 HydrophobicContact CD-CG 4.35Å; K721-Y760 HydrophobicContact CG-CD1 4.26Å; K721-Y760 HydrophobicContact CG-CE1 4.27Å; V725-Y760 HydrophobicContact CG2-CD1 3.83Å; V725-Y760 HydrophobicContact CG2-CE1 3.53Å; C754-Y760 WeakPolarHBondContact O-CB 3.43Å; C754-Y760 WeakPolarHBondContact O-CD2 3.39Å; C754-Y760 VanDerWaalsContact SG-CE2 3.57Å; C754-Y760 VanDerWaalsContact SG-CZ 3.56Å; Q757-Y760 HydrophobicContact CB-CD2 4.09Å; Q757-Y760 PolarHBondContact O-N 2.85Å; S758-Y760 VanDerWaalsContact C-N 3.33Å; S758-Y760 PolarHBondContact O-N 3.02Å; Y760-E762 PolarHBondContact O-N 3.5Å; Y760-L764 HydrophobicContact CD1-CD1 4.36Å; Y760-L764 WeakPolarHBondContact O-CB 3.48Å; Y760-L764 WeakPolarHBondContact O-CD1 3.47Å; Y760-L764 WeakPolarHBondContact O-CG 3.33Å; Y760-L764 PolarHBondContact O-N 3.33Å |
| 761 | S | 88.5 | Confident | 89.2 | Confident | 45 Ų | 45 | 34.8 Ų | 34.8 | 32% | 0.315 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 179.3 | 58 | 0 | 0 | 0 | 0 | 112.1 | Q757 S758 S765 | Q757-S761 PolarHBondContact O-N 3.28Å; Q757-S761 PolarHBondContact O-OG 2.94Å; S758-S761 WeakPolarHBondContact CA-OG 3.39Å; S758-S761 PolarHBondContact O-N 3.35Å; S758-S761 PolarHBondContact O-OG 3.49Å; S758-S761 VanDerWaalsContact O-OG 3.08Å; S761-S765 WeakPolarHBondContact O-CB 3.48Å; S761-S765 PolarHBondContact O-N 3.15Å; S761-S765 VanDerWaalsContact O-N 3.09Å; S761-S765 PolarHBondContact O-OG 2.78Å |
| 762 | E | 88.4 | Confident | 89.6 | Confident | 117 Ų | 117 | 37.4 Ų | 37.4 | 55% | 0.547 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.8 | -46.8 | 179 | -70.1 | 160.9 | -176.9 | 0 | 0 | 112.2 | R94 S758 Y760 L764 S765 | R94-E762 IonicContact CZ-OE2 2.68Å; R94-E762 VanDerWaalsContact CZ-OE2 3.28Å; R94-E762 IonicContact NH1-OE1 2.8Å; R94-E762 IonicContact NH1-OE2 2.75Å; R94-E762 PolarHBondContact NH1-OE2 2.9Å; R94-E762 IonicContact NH2-OE2 3.22Å; R94-E762 PolarHBondContact NH2-OE2 3.29Å; S758-E762 VanDerWaalsContact O-CB 3.32Å; S758-E762 WeakPolarHBondContact O-CB 3.36Å; S758-E762 VanDerWaalsContact O-CD 3.31Å; S758-E762 WeakPolarHBondContact O-CG 3.32Å; S758-E762 PolarHBondContact O-N 2.97Å; Y760-E762 PolarHBondContact O-N 3.5Å; E762-L764 VanDerWaalsContact C-N 3.28Å; E762-L764 PolarHBondContact O-N 3.37Å; E762-S765 PolarHBondContact O-N 2.9Å |
| 763 | A | 88.9 | Confident | 89.8 | Confident | 10 Ų | 10 | 37 Ų | 37 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.3 | -27 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | E717 K721 G759 | E717-A763 HydrophobicContact CG-CB 4.14Å; K721-A763 HydrophobicContact CG-CB 3.92Å; G759-A763 WeakPolarHBondContact O-CB 3.35Å |
| 764 | L | 93.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -97.4 | -2.6 | 179.6 | -60.2 | 171.7 | 0 | 0 | 0 | 113 | A718 K721 L722 L755 Y760 E762 L767 I780 Y799 | A718-L764 HydrophobicContact CB-CD2 3.85Å; A718-L764 WeakPolarHBondContact O-CD2 3.02Å; K721-L764 HydrophobicContact CB-CD2 4.18Å; K721-L764 HydrophobicContact CB-CG 4.44Å; L722-L764 HydrophobicContact CD1-CD2 4.44Å; L722-L764 HydrophobicContact CD2-CD1 4.26Å; L722-L764 HydrophobicContact CD2-CD2 3.98Å; L722-L764 HydrophobicContact CG-CD2 3.82Å; L755-L764 HydrophobicContact CD2-CD1 3.79Å; Y760-L764 HydrophobicContact CD1-CD1 4.36Å; Y760-L764 WeakPolarHBondContact O-CB 3.48Å; Y760-L764 WeakPolarHBondContact O-CD1 3.47Å; Y760-L764 WeakPolarHBondContact O-CG 3.33Å; Y760-L764 PolarHBondContact O-N 3.33Å; E762-L764 VanDerWaalsContact C-N 3.28Å; E762-L764 PolarHBondContact O-N 3.37Å; L764-L767 VanDerWaalsContact C-CD2 3.44Å; L764-L767 WeakPolarHBondContact O-CD2 3.45Å; L764-I780 HydrophobicContact CB-CD1 3.37Å; L764-I780 HydrophobicContact CB-CG1 4.22Å; L764-I780 HydrophobicContact CD1-CD1 3.45Å; L764-I780 VanDerWaalsContact CD1-CD1 3.45Å; L764-I780 HydrophobicContact CG-CD1 3.99Å; L764-Y799 WeakPolarHBondContact O-CE1 3.44Å |
| 765 | S | 92.9 | Very high | 90.5 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -102.6 | 159.4 | 177 | -73.7 | 0 | 0 | 0 | 0 | 112.4 | S761 E762 L767 S778 D779 | S761-S765 WeakPolarHBondContact O-CB 3.48Å; S761-S765 PolarHBondContact O-N 3.15Å; S761-S765 VanDerWaalsContact O-N 3.09Å; S761-S765 PolarHBondContact O-OG 2.78Å; E762-S765 PolarHBondContact O-N 2.9Å; S765-L767 PolarHBondContact O-N 3Å; S765-S778 VanDerWaalsContact CA-O 3.32Å; S765-S778 WeakPolarHBondContact CA-O 3.26Å; S765-D779 WeakPolarHBondContact CB-OD1 3.45Å; S765-D779 WeakPolarHBondContact OG-CA 3.42Å; S765-D779 PolarHBondContact OG-OD1 2.89Å |
| 766 | D | 92.4 | Very high | 90.8 | Very high | 76 Ų | 76 | 36.3 Ų | 36.3 | 41% | 0.406 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 53.7 | 52.4 | 171.4 | -72.7 | -39 | 0 | 0 | 0 | 114.7 | K714 L777 S778 K802 | K714-D766 PolarHBondContact NZ-O 2.63Å; D766-L777 VanDerWaalsContact CA-O 3.22Å; D766-L777 WeakPolarHBondContact CA-O 3.5Å; D766-L777 PolarHBondContact N-O 2.89Å; D766-S778 PolarHBondContact N-O 2.8Å; D766-K802 IonicContact OD1-NZ 4Å; D766-K802 PolarHBondContact OD1-NZ 3.37Å; D766-K802 IonicContact OD2-NZ 3.93Å |
| 767 | L | 93.6 | Very high | 91 | Very high | 9 Ų | 9 | 29.5 Ų | 29.5 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 151.8 | 177.1 | 69.5 | 153.8 | 0 | 0 | 0 | 112.7 | K714 Q715 A718 L764 S765 L777 | K714-L767 HydrophobicContact CB-CB 4.48Å; Q715-L767 HydrophobicContact CG-CD1 4.38Å; A718-L767 HydrophobicContact CB-CD1 3.66Å; L764-L767 VanDerWaalsContact C-CD2 3.44Å; L764-L767 WeakPolarHBondContact O-CD2 3.45Å; S765-L767 PolarHBondContact O-N 3Å; L767-L777 HydrophobicContact CD1-CD1 4.47Å; L767-L777 HydrophobicContact CD2-CB 4.14Å; L767-L777 HydrophobicContact CD2-CD1 4.46Å; L767-L777 HydrophobicContact CG-CB 4.29Å; L767-L777 HydrophobicContact CG-CD1 4.2Å; L767-L777 PolarHBondContact N-O 3.3Å; L767-L777 VanDerWaalsContact N-O 3.08Å; L767-L777 WeakPolarHBondContact O-CB 3.42Å; L767-L777 PolarHBondContact O-N 3.08Å |
| 768 | S | 94.8 | Very high | 91.4 | Very high | 21 Ų | 21 | 26.3 Ų | 26.3 | 15% | 0.147 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 136.5 | 166.3 | -63.1 | 0 | 0 | 0 | 0 | 109.8 | Q715 P773 V775 | Q715-S768 WeakPolarHBondContact CG-O 3.41Å; Q715-S768 PolarHBondContact NE2-O 3.01Å; S768-P773 PolarHBondContact OG-O 3.45Å; S768-V775 WeakPolarHBondContact CA-O 3.49Å |
| 769 | S | 96.1 | Very high | 92 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | trans | -64.5 | 132.4 | 177.8 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | L771 N772 V775 | S769-L771 PolarHBondContact O-N 2.87Å; S769-L771 PolarHBondContact OG-N 2.91Å; S769-N772 WeakPolarHBondContact CB-O 3.32Å; S769-N772 CarbonylContact O-C 3.54Å; S769-N772 PolarHBondContact O-N 2.97Å; S769-N772 VanDerWaalsContact O-O 3.07Å; S769-V775 PolarHBondContact N-O 3.37Å | ||
| 770 | P | 97.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -64.2 | -25.9 | 172.3 | -20.4 | 31.6 | 0 | 0 | 0 | 113.2 | H675 W679 Q715 L851 L859 | H675-P770 PolarHBondContact NE2-O 2.81Å; W679-P770 HydrophobicContact CZ2-CB 4.31Å; Q715-P770 HydrophobicContact CB-CG 4.04Å; Q715-P770 HydrophobicContact CG-CG 3.9Å; P770-L851 HydrophobicContact CB-CD2 4.07Å; P770-L851 WeakPolarHBondContact O-CD2 3.22Å; P770-L859 HydrophobicContact CB-CD1 3.82Å; P770-L859 HydrophobicContact CG-CD1 3.72Å |
| 771 | L | 96.8 | Very high | 93 | Very high | 20 Ų | 20 | 28.8 Ų | 28.8 | 11% | 0.105 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -72.2 | -32.1 | 177.6 | -70.4 | 165.5 | 0 | 0 | 0 | 112.4 | F676 S769 I811 L851 L859 E861 | F676-L771 WeakPolarHBondContact CZ-O 3.42Å; S769-L771 PolarHBondContact O-N 2.87Å; S769-L771 PolarHBondContact OG-N 2.91Å; L771-I811 HydrophobicContact CD1-CG1 4.29Å; L771-I811 HydrophobicContact CD1-CG2 4.12Å; L771-L851 HydrophobicContact CD2-CB 3.84Å; L771-L859 HydrophobicContact CD1-CB 3.93Å; L771-L859 HydrophobicContact CD2-CB 3.86Å; L771-L859 HydrophobicContact CG-CB 3.82Å; L771-L859 HydrophobicContact CG-CD1 4.29Å; L771-E861 HydrophobicContact CD1-CB 4.08Å |
| 772 | N | 93.7 | Very high | 93.2 | Very high | 56 Ų | 56 | 27.8 Ų | 27.8 | 30% | 0.299 | 16% | 0.155 | S | C | . | . | trans | -152.9 | 108 | 176.6 | -177.4 | -11.5 | 0 | 0 | 0 | 109.2 | S769 S774 V775 | S769-N772 WeakPolarHBondContact CB-O 3.32Å; S769-N772 CarbonylContact O-C 3.54Å; S769-N772 PolarHBondContact O-N 2.97Å; S769-N772 VanDerWaalsContact O-O 3.07Å; N772-S774 PolarHBondContact O-N 3.21Å; N772-S774 VanDerWaalsContact O-N 3.11Å; N772-S774 WeakPolarHBondContact OD1-CB 3.5Å; N772-S774 PolarHBondContact OD1-N 3.4Å; N772-S774 VanDerWaalsContact OD1-N 3.14Å; N772-V775 HydrophobicContact CB-CB 4.36Å; N772-V775 HydrophobicContact CB-CG2 3.94Å; N772-V775 WeakPolarHBondContact O-CB 3.4Å; N772-V775 PolarHBondContact O-N 3.15Å | ||
| 773 | P | 93.2 | Very high | 93.3 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 10% | 0.097 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.2 | -173.9 | 26.1 | -34.5 | 0 | 0 | 0 | 114 | K672 H675 S768 V775 | K672-P773 HydrophobicContact CG-CG 4.24Å; H675-P773 HydrophobicContact CB-CB 4.43Å; H675-P773 HydrophobicContact CB-CG 4.12Å; S768-P773 PolarHBondContact OG-O 3.45Å; P773-V775 VanDerWaalsContact C-N 3.31Å |
| 774 | S | 91.8 | Very high | 93.5 | Very high | 16 Ų | 16 | 33.2 Ų | 33.2 | 11% | 0.112 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -17.3 | 172.8 | -63.1 | 0 | 0 | 0 | 0 | 112.7 | C252 L253 N772 | C252-S774 CarbonylContact C-O 3.55Å; C252-S774 WeakPolarHBondContact CA-O 3.25Å; C252-S774 VanDerWaalsContact CB-O 3.32Å; C252-S774 WeakPolarHBondContact CB-O 3.38Å; L253-S774 PolarHBondContact N-O 3.42Å; L253-S774 WeakPolarHBondContact O-CB 3.24Å; L253-S774 PolarHBondContact O-OG 2.99Å; L253-S774 VanDerWaalsContact O-OG 3.13Å; N772-S774 PolarHBondContact O-N 3.21Å; N772-S774 VanDerWaalsContact O-N 3.11Å; N772-S774 WeakPolarHBondContact OD1-CB 3.5Å; N772-S774 PolarHBondContact OD1-N 3.4Å; N772-S774 VanDerWaalsContact OD1-N 3.14Å |
| 775 | V | 92.7 | Very high | 93.5 | Very high | 23 Ų | 23 | 33.3 Ų | 33.3 | 14% | 0.139 | 18% | 0.178 | C | C | . | . | trans | -88.7 | 124.3 | 179.6 | 174.4 | 0 | 0 | 0 | 0 | 109.9 | C252 S768 S769 N772 P773 L777 L809 | C252-V775 HydrophobicContact CB-CG2 4.46Å; S768-V775 WeakPolarHBondContact CA-O 3.49Å; S769-V775 PolarHBondContact N-O 3.37Å; N772-V775 HydrophobicContact CB-CB 4.36Å; N772-V775 HydrophobicContact CB-CG2 3.94Å; N772-V775 WeakPolarHBondContact O-CB 3.4Å; N772-V775 PolarHBondContact O-N 3.15Å; P773-V775 VanDerWaalsContact C-N 3.31Å; V775-L777 HydrophobicContact CG1-CD2 4.23Å; V775-L809 HydrophobicContact CG1-CD1 3.41Å; V775-L809 VanDerWaalsContact CG1-CD1 3.41Å | ||
| 776 | L | 92.8 | Very high | 93.5 | Very high | 26 Ų | 26 | 39 Ų | 39 | 14% | 0.136 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.7 | 178.3 | -62.9 | -173.9 | 0 | 0 | 0 | 111.2 | L253 K802 L803 | L253-L776 HydrophobicContact CD1-CD1 3.92Å; L253-L776 HydrophobicContact CD1-CD2 3.8Å; L253-L776 HydrophobicContact CD1-CG 4.01Å; L253-L776 HydrophobicContact CD2-CD1 4.21Å; L253-L776 HydrophobicContact CG-CD1 3.93Å; L253-L776 HydrophobicContact CG-CD2 4.35Å; L253-L776 HydrophobicContact CG-CG 4.03Å; L776-K802 HydrophobicContact CB-CB 3.83Å; L776-K802 HydrophobicContact CD1-CD 4.31Å; L776-K802 PolarHBondContact O-N 2.97Å; L776-L803 HydrophobicContact CB-CG 4.49Å; L776-L803 HydrophobicContact CD1-CD1 4Å; L776-L803 HydrophobicContact CD1-CD2 3.86Å; L776-L803 HydrophobicContact CD1-CG 3.94Å; L776-L803 HydrophobicContact CG-CD1 4.27Å; L776-L803 HydrophobicContact CG-CG 4.45Å |
| 777 | L | 93.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 114.5 | 174.7 | -51.7 | 179.5 | 0 | 0 | 0 | 107.8 | D766 L767 V775 Y799 L809 I811 | D766-L777 VanDerWaalsContact CA-O 3.22Å; D766-L777 WeakPolarHBondContact CA-O 3.5Å; D766-L777 PolarHBondContact N-O 2.89Å; L767-L777 HydrophobicContact CD1-CD1 4.47Å; L767-L777 HydrophobicContact CD2-CB 4.14Å; L767-L777 HydrophobicContact CD2-CD1 4.46Å; L767-L777 HydrophobicContact CG-CB 4.29Å; L767-L777 HydrophobicContact CG-CD1 4.2Å; L767-L777 PolarHBondContact N-O 3.3Å; L767-L777 VanDerWaalsContact N-O 3.08Å; L767-L777 WeakPolarHBondContact O-CB 3.42Å; L767-L777 PolarHBondContact O-N 3.08Å; V775-L777 HydrophobicContact CG1-CD2 4.23Å; L777-Y799 HydrophobicContact CB-CD1 3.75Å; L777-Y799 HydrophobicContact CB-CE1 4.09Å; L777-Y799 HydrophobicContact CB-CG 3.97Å; L777-Y799 HydrophobicContact CD1-CD2 4.12Å; L777-Y799 HydrophobicContact CD1-CE1 4.42Å; L777-Y799 HydrophobicContact CD1-CE2 3.96Å; L777-Y799 HydrophobicContact CD1-CG 4.4Å; L777-Y799 HydrophobicContact CD2-CD2 4Å; L777-Y799 HydrophobicContact CD2-CG 3.94Å; L777-Y799 HydrophobicContact CG-CD2 4.44Å; L777-Y799 HydrophobicContact CG-CG 4.31Å; L777-L809 HydrophobicContact CD2-CD1 4.11Å; L777-I811 HydrophobicContact CD1-CD1 3.64Å; L777-I811 HydrophobicContact CD2-CD1 4.08Å |
| 778 | S | 92.1 | Very high | 93.2 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -125.9 | 171.4 | 64.3 | 0 | 0 | 0 | 0 | 109.5 | S765 D766 N800 | S765-S778 VanDerWaalsContact CA-O 3.32Å; S765-S778 WeakPolarHBondContact CA-O 3.26Å; D766-S778 PolarHBondContact N-O 2.8Å; S778-N800 PolarHBondContact N-O 3.27Å; S778-N800 VanDerWaalsContact N-O 3.15Å; S778-N800 VanDerWaalsContact OG-CB 3.29Å; S778-N800 WeakPolarHBondContact OG-CB 3.45Å; S778-N800 PolarHBondContact OG-O 2.96Å |
| 779 | D | 92.4 | Very high | 92.6 | Very high | 89 Ų | 89 | 45.1 Ų | 45.1 | 48% | 0.476 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 150.4 | -179.5 | -60.3 | -54.4 | 0 | 0 | 0 | 113.4 | S765 S781 N800 | S765-D779 WeakPolarHBondContact CB-OD1 3.45Å; S765-D779 WeakPolarHBondContact OG-CA 3.42Å; S765-D779 PolarHBondContact OG-OD1 2.89Å; D779-S781 PolarHBondContact O-N 3.2Å; D779-N800 PolarHBondContact O-N 2.96Å |
| 780 | I | 93.6 | Very high | 92 | Very high | 21 Ų | 21 | 48 Ų | 48 | 11% | 0.108 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 126.8 | 171.1 | -62.4 | 175.7 | 0 | 0 | 0 | 109.7 | L755 L764 V782 C785 I797 V798 Y799 | L755-I780 HydrophobicContact CD2-CD1 4.45Å; L764-I780 HydrophobicContact CB-CD1 3.37Å; L764-I780 HydrophobicContact CB-CG1 4.22Å; L764-I780 HydrophobicContact CD1-CD1 3.45Å; L764-I780 VanDerWaalsContact CD1-CD1 3.45Å; L764-I780 HydrophobicContact CG-CD1 3.99Å; I780-V782 VanDerWaalsContact C-N 3.26Å; I780-V782 HydrophobicContact CB-CG2 4.33Å; I780-V782 HydrophobicContact CG2-CG2 4.02Å; I780-V782 PolarHBondContact O-N 2.87Å; I780-C785 WeakPolarHBondContact CG2-SG 3.44Å; I780-I797 HydrophobicContact CD1-CG2 3.97Å; I780-I797 HydrophobicContact CG1-CG2 4.06Å; I780-I797 HydrophobicContact CG2-CG2 4.07Å; I780-V798 CarbonylContact C-O 3.53Å; I780-V798 WeakPolarHBondContact CA-O 3.41Å; I780-Y799 HydrophobicContact CD1-CE1 4.08Å; I780-Y799 HydrophobicContact CG1-CD1 3.85Å; I780-Y799 HydrophobicContact CG1-CE1 3.31Å |
| 781 | S | 93.5 | Very high | 91.3 | Very high | 22 Ų | 22 | 56.4 Ų | 56.4 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | trans | -73.3 | 78.3 | 161.6 | -80.7 | 0 | 0 | 0 | 0 | 110.1 | D779 E783 K784 C785 V798 N800 | D779-S781 PolarHBondContact O-N 3.2Å; S781-E783 PolarHBondContact O-N 3.19Å; S781-E783 VanDerWaalsContact O-N 3.14Å; S781-K784 PolarHBondContact O-N 3.42Å; S781-C785 PolarHBondContact O-N 3.31Å; S781-C785 PolarHBondContact O-SG 2.96Å; S781-V798 PolarHBondContact N-O 2.63Å; S781-N800 PolarHBondContact OG-OD1 3.43Å | ||
| 782 | V | 92.7 | Very high | 90.8 | Very high | 23 Ų | 23 | 57.1 Ų | 57.1 | 14% | 0.139 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -54.9 | -38.4 | -171.2 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | I752 L755 R756 I780 K784 C785 | I752-V782 HydrophobicContact CB-CG1 4.25Å; I752-V782 HydrophobicContact CG1-CG1 4.24Å; I752-V782 HydrophobicContact CG2-CG1 3.87Å; L755-V782 HydrophobicContact CB-CG1 4.05Å; L755-V782 HydrophobicContact CB-CG2 4.31Å; L755-V782 HydrophobicContact CD1-CG1 4.33Å; R756-V782 HydrophobicContact CG-CG1 4.24Å; R756-V782 HydrophobicContact CG-CG2 4.41Å; I780-V782 VanDerWaalsContact C-N 3.26Å; I780-V782 HydrophobicContact CB-CG2 4.33Å; I780-V782 HydrophobicContact CG2-CG2 4.02Å; I780-V782 PolarHBondContact O-N 2.87Å; V782-K784 PolarHBondContact O-N 2.83Å; V782-C785 WeakPolarHBondContact O-CB 3.21Å; V782-C785 PolarHBondContact O-N 2.83Å |
| 783 | E | 91.1 | Very high | 90.6 | Very high | 125 Ų | 125 | 56.3 Ų | 56.3 | 58% | 0.584 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -62.6 | -29 | 178.6 | -55 | -49.5 | 144.8 | 0 | 0 | 113.9 | R756 S781 | R756-E783 IonicContact CZ-OE1 3.2Å; R756-E783 IonicContact NH2-OE1 3.47Å; R756-E783 PolarHBondContact NH2-OE1 2.97Å; R756-E783 IonicContact NH2-OE2 3.36Å; S781-E783 PolarHBondContact O-N 3.19Å; S781-E783 VanDerWaalsContact O-N 3.14Å |
| 784 | K | 91.9 | Very high | 90.7 | Very high | 116 Ų | 116 | 55.8 Ų | 55.8 | 50% | 0.504 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -87.9 | -8.1 | 179.1 | -62.1 | -178.7 | -179.7 | 173.5 | 0 | 112.2 | S781 V782 V798 | S781-K784 PolarHBondContact O-N 3.42Å; V782-K784 PolarHBondContact O-N 2.83Å; K784-V798 HydrophobicContact CB-CB 3.9Å; K784-V798 HydrophobicContact CB-CG1 4.14Å; K784-V798 HydrophobicContact CB-CG2 3.85Å; K784-V798 HydrophobicContact CD-CG1 4.08Å |
| 785 | C | 93.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | trans | -77.8 | 145.9 | 179 | -62 | 0 | 0 | 0 | 0 | 111.6 | M751 L755 I780 S781 V782 W796 V798 | M751-C785 HydrophobicContact CE-CB 3.88Å; L755-C785 HydrophobicContact CD1-CB 4.13Å; I780-C785 WeakPolarHBondContact CG2-SG 3.44Å; S781-C785 PolarHBondContact O-N 3.31Å; S781-C785 PolarHBondContact O-SG 2.96Å; V782-C785 WeakPolarHBondContact O-CB 3.21Å; V782-C785 PolarHBondContact O-N 2.83Å; C785-W796 VanDerWaalsContact CA-O 3.28Å; C785-W796 WeakPolarHBondContact CA-O 2.93Å; C785-V798 PolarHBondContact SG-N 3.35Å; C785-V798 VanDerWaalsContact SG-N 3.41Å | ||
| 786 | R | 92.9 | Very high | 91.1 | Very high | 133 Ų | 133 | 56.4 Ų | 56.4 | 50% | 0.502 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 169.4 | 178.6 | 60.8 | -177.3 | 178.4 | 177.2 | 0 | 110.9 | W796 | R786-W796 HydrophobicContact CG-CB 3.67Å; R786-W796 HydrophobicContact CG-CG 3.96Å; R786-W796 PolarHBondContact N-O 2.93Å; R786-W796 WeakPolarHBondContact O-CA 3.35Å; R786-W796 WeakPolarHBondContact O-CB 3.48Å; R786-W796 PolarHBondContact O-N 3.4Å |
| 787 | Y | 91.4 | Very high | 91.2 | Very high | 32 Ų | 32 | 55.2 Ų | 55.2 | 13% | 0.125 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 153.4 | 163.5 | 63.8 | -89.7 | 0 | 0 | 0 | 109.4 | I729 A744 T747 K748 M751 K793 P794 | I729-Y787 HydrophobicContact CD1-CD1 3.89Å; I729-Y787 HydrophobicContact CD1-CG 4.07Å; I729-Y787 HydrophobicContact CG2-CD1 4.13Å; I729-Y787 HydrophobicContact CG2-CD2 4.04Å; I729-Y787 HydrophobicContact CG2-CE2 4.42Å; I729-Y787 HydrophobicContact CG2-CG 3.88Å; A744-Y787 PolarHBondContact O-OH 2.73Å; T747-Y787 HydrophobicContact CG2-CE1 4.13Å; K748-Y787 HydrophobicContact CB-CE1 4.32Å; M751-Y787 HydrophobicContact SD-CD1 4.21Å; Y787-K793 HydrophobicContact CD2-CD 4.14Å; Y787-K793 HydrophobicContact CE2-CD 4.39Å; Y787-P794 CarbonylContact C-O 3.21Å; Y787-P794 VanDerWaalsContact CA-O 3.28Å; Y787-P794 WeakPolarHBondContact CA-O 3.28Å |
| 788 | M | 89.1 | Confident | 91.3 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 32% | 0.315 | 27% | 0.268 | S | S | . | . | trans | -92.6 | 153.1 | -178.9 | -57.3 | 179.3 | 76 | 0 | 0 | 111.3 | S790 K793 P794 W796 I812 | M788-S790 PolarHBondContact O-N 2.75Å; M788-K793 WeakPolarHBondContact O-CA 3.41Å; M788-K793 WeakPolarHBondContact O-CD 3.46Å; M788-P794 HydrophobicContact CB-CB 4.42Å; M788-P794 HydrophobicContact CB-CG 4.39Å; M788-P794 HydrophobicContact CG-CB 4.46Å; M788-P794 PolarHBondContact N-O 2.92Å; M788-P794 HydrophobicContact SD-CB 4.16Å; M788-W796 HydrophobicContact SD-CE3 4.42Å; M788-I812 HydrophobicContact SD-CD1 4.09Å; M788-I812 HydrophobicContact SD-CG1 4.39Å; M788-I812 HydrophobicContact SD-CG2 4.32Å | ||
| 789 | D | 82.4 | Confident | 91.5 | Very high | 138 Ų | 138 | 55.1 Ų | 55.1 | 74% | 0.738 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -74.8 | -9.3 | -173.4 | -68.5 | -45 | 0 | 0 | 0 | 115.1 | K793 | D789-K793 PolarHBondContact O-NZ 2.83Š|
| 790 | S | 82.3 | Confident | 91.5 | Very high | 65 Ų | 65 | 53.7 Ų | 53.7 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -53.5 | 159.1 | 177.4 | -54.8 | 0 | 0 | 0 | 0 | 113.2 | M788 M792 K793 | M788-S790 PolarHBondContact O-N 2.75Å; S790-M792 VanDerWaalsContact C-N 3.25Å; S790-M792 PolarHBondContact O-N 2.9Å; S790-M792 VanDerWaalsContact O-N 3.11Å; S790-K793 WeakPolarHBondContact O-CD 3.48Å; S790-K793 PolarHBondContact O-N 3.37Å |
| 791 | K | 83.2 | Confident | 91.2 | Very high | 181 Ų | 181 | 53 Ų | 53 | 79% | 0.787 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -41.7 | -175.7 | -176 | -177.9 | 174.3 | -170.1 | 0 | 113.7 | K793 | K791-K793 VanDerWaalsContact C-N 3.33Š|
| 792 | M | 87 | Confident | 90.7 | Very high | 35 Ų | 35 | 56.8 Ų | 56.8 | 17% | 0.172 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 5.2 | -177.3 | -58.3 | -50.7 | 169.9 | 0 | 0 | 114.6 | N726 K730 S790 | N726-M792 PolarHBondContact ND2-O 3.33Å; K730-M792 VanDerWaalsContact CE-O 3.28Å; K730-M792 WeakPolarHBondContact CE-O 3.45Å; S790-M792 VanDerWaalsContact C-N 3.25Å; S790-M792 PolarHBondContact O-N 2.9Å; S790-M792 VanDerWaalsContact O-N 3.11Å |
| 793 | K | 89.9 | Confident | 90.3 | Very high | 39 Ų | 39 | 57.4 Ų | 57.4 | 17% | 0.17 | 27% | 0.269 | C | S | . | . | trans | 44.3 | 55.3 | -177.8 | -54.7 | -62 | 174.4 | -169.8 | 0 | 114.3 | N726 I729 Y787 M788 D789 S790 K791 | N726-K793 PolarHBondContact ND2-O 3.05Å; I729-K793 HydrophobicContact CG2-CB 3.93Å; I729-K793 HydrophobicContact CG2-CG 4.31Å; Y787-K793 HydrophobicContact CD2-CD 4.14Å; Y787-K793 HydrophobicContact CE2-CD 4.39Å; M788-K793 WeakPolarHBondContact O-CA 3.41Å; M788-K793 WeakPolarHBondContact O-CD 3.46Å; D789-K793 PolarHBondContact O-NZ 2.83Å; S790-K793 WeakPolarHBondContact O-CD 3.48Å; S790-K793 PolarHBondContact O-N 3.37Å; K791-K793 VanDerWaalsContact C-N 3.33Å | ||
| 794 | P | 94.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | trans | -51.6 | 142.7 | 178.7 | -19.9 | 27.9 | 0 | 0 | 0 | 112.1 | Y787 M788 I812 F813 K814 | Y787-P794 CarbonylContact C-O 3.21Å; Y787-P794 VanDerWaalsContact CA-O 3.28Å; Y787-P794 WeakPolarHBondContact CA-O 3.28Å; M788-P794 HydrophobicContact CB-CB 4.42Å; M788-P794 HydrophobicContact CB-CG 4.39Å; M788-P794 HydrophobicContact CG-CB 4.46Å; M788-P794 PolarHBondContact N-O 2.92Å; M788-P794 HydrophobicContact SD-CB 4.16Å; P794-I812 HydrophobicContact CB-CG2 3.86Å; P794-F813 CarbonylContact C-O 3.55Å; P794-F813 WeakPolarHBondContact CA-O 3.34Å; P794-K814 HydrophobicContact CB-CB 4.36Å; P794-K814 HydrophobicContact CB-CG 4.29Å; P794-K814 HydrophobicContact CG-CD 4.11Å; P794-K814 HydrophobicContact CG-CG 4.06Å | ||
| 795 | L | 96.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 134.3 | 176.3 | -52.3 | -177.3 | 0 | 0 | 0 | 109.7 | L722 V725 N726 I729 I797 I812 F813 | L722-L795 HydrophobicContact CB-CD1 4.4Å; L722-L795 HydrophobicContact CD2-CD1 4.21Å; L722-L795 WeakPolarHBondContact O-CD1 3.42Å; V725-L795 HydrophobicContact CB-CD1 3.9Å; V725-L795 HydrophobicContact CG1-CD1 3.85Å; V725-L795 HydrophobicContact CG1-CD2 4.19Å; N726-L795 HydrophobicContact CB-CD1 4.02Å; N726-L795 HydrophobicContact CB-CD2 4.28Å; N726-L795 HydrophobicContact CB-CG 4.05Å; I729-L795 HydrophobicContact CD1-CD2 3.39Å; L795-I797 HydrophobicContact CB-CD1 4.02Å; L795-I797 HydrophobicContact CB-CG1 4.24Å; L795-I812 CarbonylContact O-C 3.51Å; L795-I812 WeakPolarHBondContact O-CA 3.34Å; L795-F813 HydrophobicContact CB-CB 4.29Å; L795-F813 HydrophobicContact CD1-CD1 3.98Å; L795-F813 HydrophobicContact CG-CD1 4.21Å; L795-F813 PolarHBondContact N-O 2.95Å; L795-F813 PolarHBondContact O-N 3.28Å |
| 796 | W | 96.3 | Very high | 88 | Confident | 51 Ų | 51 | 57.8 Ų | 57.8 | 19% | 0.193 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 106.8 | 169.1 | -177.9 | -69.4 | 0 | 0 | 0 | 107.9 | C785 R786 M788 I812 V862 | C785-W796 VanDerWaalsContact CA-O 3.28Å; C785-W796 WeakPolarHBondContact CA-O 2.93Å; R786-W796 HydrophobicContact CG-CB 3.67Å; R786-W796 HydrophobicContact CG-CG 3.96Å; R786-W796 PolarHBondContact N-O 2.93Å; R786-W796 WeakPolarHBondContact O-CA 3.35Å; R786-W796 WeakPolarHBondContact O-CB 3.48Å; R786-W796 PolarHBondContact O-N 3.4Å; M788-W796 HydrophobicContact SD-CE3 4.42Å; W796-I812 HydrophobicContact CD2-CG1 4.37Å; W796-I812 HydrophobicContact CE3-CD1 3.8Å; W796-I812 HydrophobicContact CE3-CG1 3.7Å; W796-I812 HydrophobicContact CZ3-CD1 3.85Å; W796-I812 HydrophobicContact CZ3-CG1 4.22Å; W796-V862 HydrophobicContact CD2-CG2 4.12Å; W796-V862 HydrophobicContact CE3-CG2 4.07Å; W796-V862 HydrophobicContact CH2-CB 4.21Å; W796-V862 HydrophobicContact CH2-CG1 3.31Å; W796-V862 HydrophobicContact CH2-CG2 3.79Å; W796-V862 HydrophobicContact CZ2-CB 4.23Å; W796-V862 HydrophobicContact CZ2-CG1 3.33Å; W796-V862 HydrophobicContact CZ2-CG2 3.85Å; W796-V862 HydrophobicContact CZ3-CG1 4.2Å; W796-V862 HydrophobicContact CZ3-CG2 3.9Å |
| 797 | I | 96.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.7 | -178.1 | -50.8 | -59.5 | 0 | 0 | 0 | 108.5 | L722 M751 I780 L795 Y799 G810 I811 | L722-I797 HydrophobicContact CD2-CD1 3.99Å; L722-I797 HydrophobicContact CD2-CG1 3.79Å; M751-I797 HydrophobicContact CE-CD1 4.09Å; I780-I797 HydrophobicContact CD1-CG2 3.97Å; I780-I797 HydrophobicContact CG1-CG2 4.06Å; I780-I797 HydrophobicContact CG2-CG2 4.07Å; L795-I797 HydrophobicContact CB-CD1 4.02Å; L795-I797 HydrophobicContact CB-CG1 4.24Å; I797-Y799 HydrophobicContact CB-CE2 4.07Å; I797-Y799 HydrophobicContact CG2-CD2 4.02Å; I797-Y799 HydrophobicContact CG2-CE1 4.43Å; I797-Y799 HydrophobicContact CG2-CE2 3.37Å; I797-G810 WeakPolarHBondContact O-CA 3.47Å; I797-I811 PolarHBondContact N-O 2.99Å; I797-I811 PolarHBondContact O-N 3.45Å |
| 798 | V | 95.6 | Very high | 87.4 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 125 | 179.4 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | I780 S781 K784 C785 L809 | I780-V798 CarbonylContact C-O 3.53Å; I780-V798 WeakPolarHBondContact CA-O 3.41Å; S781-V798 PolarHBondContact N-O 2.63Å; K784-V798 HydrophobicContact CB-CB 3.9Å; K784-V798 HydrophobicContact CB-CG1 4.14Å; K784-V798 HydrophobicContact CB-CG2 3.85Å; K784-V798 HydrophobicContact CD-CG1 4.08Å; C785-V798 PolarHBondContact SG-N 3.35Å; C785-V798 VanDerWaalsContact SG-N 3.41Å; V798-L809 CarbonylContact C-O 3.47Å; V798-L809 WeakPolarHBondContact CA-O 3.22Å |
| 799 | Y | 95.1 | Very high | 87.6 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 2% | 0.02 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 149.3 | 178.5 | -71.6 | -80.5 | 0 | 0 | 0 | 110.7 | L764 L777 I780 I797 T808 L809 I811 | L764-Y799 WeakPolarHBondContact O-CE1 3.44Å; L777-Y799 HydrophobicContact CB-CD1 3.75Å; L777-Y799 HydrophobicContact CB-CE1 4.09Å; L777-Y799 HydrophobicContact CB-CG 3.97Å; L777-Y799 HydrophobicContact CD1-CD2 4.12Å; L777-Y799 HydrophobicContact CD1-CE1 4.42Å; L777-Y799 HydrophobicContact CD1-CE2 3.96Å; L777-Y799 HydrophobicContact CD1-CG 4.4Å; L777-Y799 HydrophobicContact CD2-CD2 4Å; L777-Y799 HydrophobicContact CD2-CG 3.94Å; L777-Y799 HydrophobicContact CG-CD2 4.44Å; L777-Y799 HydrophobicContact CG-CG 4.31Å; I780-Y799 HydrophobicContact CD1-CE1 4.08Å; I780-Y799 HydrophobicContact CG1-CD1 3.85Å; I780-Y799 HydrophobicContact CG1-CE1 3.31Å; I797-Y799 HydrophobicContact CB-CE2 4.07Å; I797-Y799 HydrophobicContact CG2-CD2 4.02Å; I797-Y799 HydrophobicContact CG2-CE1 4.43Å; I797-Y799 HydrophobicContact CG2-CE2 3.37Å; Y799-T808 CarbonylContact O-C 3.53Å; Y799-T808 VanDerWaalsContact O-CA 3.27Å; Y799-T808 WeakPolarHBondContact O-CA 3.3Å; Y799-L809 PolarHBondContact N-O 2.94Å; Y799-L809 PolarHBondContact O-N 3.25Å; Y799-I811 HydrophobicContact CD2-CD1 4.22Å; Y799-I811 HydrophobicContact CD2-CG1 4.5Å; Y799-I811 HydrophobicContact CE2-CD1 4.12Å |
| 800 | N | 92.3 | Very high | 88.1 | Confident | 59 Ų | 59 | 47.4 Ų | 47.4 | 32% | 0.316 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 142.2 | 160.5 | -62.7 | -33.3 | 0 | 0 | 0 | 109.1 | S778 D779 S781 K802 | S778-N800 PolarHBondContact N-O 3.27Å; S778-N800 VanDerWaalsContact N-O 3.15Å; S778-N800 VanDerWaalsContact OG-CB 3.29Å; S778-N800 WeakPolarHBondContact OG-CB 3.45Å; S778-N800 PolarHBondContact OG-O 2.96Å; D779-N800 PolarHBondContact O-N 2.96Å; S781-N800 PolarHBondContact OG-OD1 3.43Å; N800-K802 PolarHBondContact O-N 2.94Å |
| 801 | N | 87.6 | Confident | 88.8 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.032 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 125.2 | 173.5 | -170.1 | -27.2 | 0 | 0 | 0 | 109.7 | H251 L803 D807 L809 | H251-N801 PolarHBondContact O-ND2 3.11Å; N801-L803 VanDerWaalsContact C-N 3.26Å; N801-L803 PolarHBondContact O-N 3.38Å; N801-L803 PolarHBondContact OD1-N 3.2Å; N801-D807 HydrophobicContact CB-CB 3.84Å; N801-D807 PolarHBondContact N-O 3.1Å; N801-D807 PolarHBondContact ND2-OD2 3.09Å; N801-L809 HydrophobicContact CB-CD1 4.07Å; N801-L809 HydrophobicContact CB-CG 4.37Å |
| 802 | K | 83.3 | Confident | 89.5 | Confident | 102 Ų | 102 | 37.2 Ų | 37.2 | 44% | 0.443 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -66.2 | -29.7 | -179.4 | -169.3 | 163.7 | -178 | 157.8 | 0 | 113.2 | D766 L776 N800 | D766-K802 IonicContact OD1-NZ 4Å; D766-K802 PolarHBondContact OD1-NZ 3.37Å; D766-K802 IonicContact OD2-NZ 3.93Å; L776-K802 HydrophobicContact CB-CB 3.83Å; L776-K802 HydrophobicContact CD1-CD 4.31Å; L776-K802 PolarHBondContact O-N 2.97Å; N800-K802 PolarHBondContact O-N 2.94Å |
| 803 | L | 85.3 | Confident | 90 | Very high | 35 Ų | 35 | 35.6 Ų | 35.6 | 18% | 0.183 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -99.3 | -17.6 | -168.5 | -62.1 | -178.1 | 0 | 0 | 0 | 113.5 | S250 L253 L776 N801 | S250-L803 CarbonylContact O-C 3.43Å; S250-L803 VanDerWaalsContact O-CB 3.29Å; S250-L803 WeakPolarHBondContact O-CB 3.18Å; S250-L803 VanDerWaalsContact O-O 3.12Å; L253-L803 HydrophobicContact CD2-CD1 3.93Å; L253-L803 HydrophobicContact CG-CD1 4.09Å; L776-L803 HydrophobicContact CB-CG 4.49Å; L776-L803 HydrophobicContact CD1-CD1 4Å; L776-L803 HydrophobicContact CD1-CD2 3.86Å; L776-L803 HydrophobicContact CD1-CG 3.94Å; L776-L803 HydrophobicContact CG-CD1 4.27Å; L776-L803 HydrophobicContact CG-CG 4.45Å; N801-L803 VanDerWaalsContact C-N 3.26Å; N801-L803 PolarHBondContact O-N 3.38Å; N801-L803 PolarHBondContact OD1-N 3.2Å |
| 804 | L | 79.6 | Confident | 90.3 | Very high | 49 Ų | 49 | 35.1 Ų | 35.1 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -135.3 | 107.6 | 179.3 | -172.9 | 65.5 | 0 | 0 | 0 | 110.3 | H251 G806 D807 | H251-L804 HydrophobicContact CB-CB 4.35Å; H251-L804 HydrophobicContact CB-CD2 4.18Å; L804-G806 PolarHBondContact O-N 3.14Å; L804-D807 HydrophobicContact CB-CB 4.24Å; L804-D807 HydrophobicContact CD2-CB 4.13Å; L804-D807 HydrophobicContact CG-CB 4.24Å; L804-D807 WeakPolarHBondContact O-CB 3.48Å; L804-D807 PolarHBondContact O-N 2.98Å |
| 805 | N | 73.8 | Confident | 90.2 | Very high | 119 Ų | 119 | 35.4 Ų | 35.4 | 64% | 0.636 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 135.5 | -178.8 | -77.7 | -6.7 | 0 | 0 | 0 | 111.9 | Q206 D807 | Q206-N805 PolarHBondContact NE2-ND2 3.13Å; N805-D807 VanDerWaalsContact C-N 3.25Å; N805-D807 PolarHBondContact O-N 3.41Å |
| 806 | G | 75 | Confident | 89.9 | Confident | 84 Ų | 84 | 36.5 Ų | 36.5 | 87% | 0.866 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -10.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L804 | L804-G806 PolarHBondContact O-N 3.14Š|
| 807 | D | 81.9 | Confident | 89.5 | Confident | 53 Ų | 53 | 36.7 Ų | 36.7 | 28% | 0.283 | 22% | 0.219 | S | C | . | . | trans | -80.6 | 141.2 | 172.9 | -177.2 | 36.9 | 0 | 0 | 0 | 111.1 | N801 L804 N805 | N801-D807 HydrophobicContact CB-CB 3.84Å; N801-D807 PolarHBondContact N-O 3.1Å; N801-D807 PolarHBondContact ND2-OD2 3.09Å; L804-D807 HydrophobicContact CB-CB 4.24Å; L804-D807 HydrophobicContact CD2-CB 4.13Å; L804-D807 HydrophobicContact CG-CB 4.24Å; L804-D807 WeakPolarHBondContact O-CB 3.48Å; L804-D807 PolarHBondContact O-N 2.98Å; N805-D807 VanDerWaalsContact C-N 3.25Å; N805-D807 PolarHBondContact O-N 3.41Å | ||
| 808 | T | 89.3 | Confident | 89.2 | Confident | 44 Ų | 44 | 38.7 Ų | 38.7 | 27% | 0.27 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 138.5 | -179 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | Y799 | Y799-T808 CarbonylContact O-C 3.53Å; Y799-T808 VanDerWaalsContact O-CA 3.27Å; Y799-T808 WeakPolarHBondContact O-CA 3.3Å |
| 809 | L | 92.2 | Very high | 89.1 | Confident | 39 Ų | 39 | 38.2 Ų | 38.2 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.2 | -175.5 | -59.9 | 165.5 | 0 | 0 | 0 | 109.4 | V775 L777 V798 Y799 N801 | V775-L809 HydrophobicContact CG1-CD1 3.41Å; V775-L809 VanDerWaalsContact CG1-CD1 3.41Å; L777-L809 HydrophobicContact CD2-CD1 4.11Å; V798-L809 CarbonylContact C-O 3.47Å; V798-L809 WeakPolarHBondContact CA-O 3.22Å; Y799-L809 PolarHBondContact N-O 2.94Å; Y799-L809 PolarHBondContact O-N 3.25Å; N801-L809 HydrophobicContact CB-CD1 4.07Å; N801-L809 HydrophobicContact CB-CG 4.37Å |
| 810 | G | 94.2 | Very high | 89.1 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 137.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | I797 V862 | I797-G810 WeakPolarHBondContact O-CA 3.47Å; G810-V862 VanDerWaalsContact C-CG2 3.46Å; G810-V862 WeakPolarHBondContact O-CB 3.47Å; G810-V862 PolarHBondContact O-N 3.16Å |
| 811 | I | 96.8 | Very high | 89.1 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 6% | 0.056 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132.7 | 173 | -60.5 | 178.9 | 0 | 0 | 0 | 108.7 | L771 L777 I797 Y799 L859 | L771-I811 HydrophobicContact CD1-CG1 4.29Å; L771-I811 HydrophobicContact CD1-CG2 4.12Å; L777-I811 HydrophobicContact CD1-CD1 3.64Å; L777-I811 HydrophobicContact CD2-CD1 4.08Å; I797-I811 PolarHBondContact N-O 2.99Å; I797-I811 PolarHBondContact O-N 3.45Å; Y799-I811 HydrophobicContact CD2-CD1 4.22Å; Y799-I811 HydrophobicContact CD2-CG1 4.5Å; Y799-I811 HydrophobicContact CE2-CD1 4.12Å; I811-L859 HydrophobicContact CG2-CB 4.21Å; I811-L859 HydrophobicContact CG2-CD1 4.43Å; I811-L859 HydrophobicContact CG2-CD2 3.76Å; I811-L859 HydrophobicContact CG2-CG 4.36Å |
| 812 | I | 97.8 | Very high | 89.4 | Confident | 21 Ų | 21 | 37.2 Ų | 37.2 | 11% | 0.108 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 119.3 | 168.8 | -65.2 | 163.2 | 0 | 0 | 0 | 108.5 | M788 P794 L795 W796 L859 I860 V862 | M788-I812 HydrophobicContact SD-CD1 4.09Å; M788-I812 HydrophobicContact SD-CG1 4.39Å; M788-I812 HydrophobicContact SD-CG2 4.32Å; P794-I812 HydrophobicContact CB-CG2 3.86Å; L795-I812 CarbonylContact O-C 3.51Å; L795-I812 WeakPolarHBondContact O-CA 3.34Å; W796-I812 HydrophobicContact CD2-CG1 4.37Å; W796-I812 HydrophobicContact CE3-CD1 3.8Å; W796-I812 HydrophobicContact CE3-CG1 3.7Å; W796-I812 HydrophobicContact CZ3-CD1 3.85Å; W796-I812 HydrophobicContact CZ3-CG1 4.22Å; I812-L859 CarbonylContact O-C 3.59Å; I812-L859 WeakPolarHBondContact O-CA 3.26Å; I812-I860 HydrophobicContact CB-CB 4.13Å; I812-I860 PolarHBondContact N-O 3.3Å; I812-I860 PolarHBondContact O-N 2.84Å; I812-V862 HydrophobicContact CD1-CG2 4.02Å; I812-V862 HydrophobicContact CG1-CG2 3.74Å |
| 813 | F | 97.6 | Very high | 90 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124.7 | 168.3 | 172.8 | -95.8 | 0 | 0 | 0 | 109.8 | L719 L722 K723 N726 P794 L795 N815 L859 | L719-F813 HydrophobicContact CD2-CD2 3.97Å; L719-F813 HydrophobicContact CD2-CE2 3.95Å; L722-F813 HydrophobicContact CB-CB 4.38Å; L722-F813 HydrophobicContact CB-CD1 3.86Å; L722-F813 HydrophobicContact CB-CD2 4Å; L722-F813 HydrophobicContact CB-CE1 4.09Å; L722-F813 HydrophobicContact CB-CE2 4.23Å; L722-F813 HydrophobicContact CB-CG 3.8Å; L722-F813 HydrophobicContact CB-CZ 4.27Å; L722-F813 HydrophobicContact CD1-CB 4.07Å; L722-F813 HydrophobicContact CD1-CD2 4.2Å; L722-F813 HydrophobicContact CD1-CG 4.19Å; K723-F813 HydrophobicContact CB-CE1 4.38Å; K723-F813 HydrophobicContact CB-CZ 3.93Å; N726-F813 HydrophobicContact CB-CD1 4.25Å; N726-F813 HydrophobicContact CB-CE1 3.91Å; P794-F813 CarbonylContact C-O 3.55Å; P794-F813 WeakPolarHBondContact CA-O 3.34Å; L795-F813 HydrophobicContact CB-CB 4.29Å; L795-F813 HydrophobicContact CD1-CD1 3.98Å; L795-F813 HydrophobicContact CG-CD1 4.21Å; L795-F813 PolarHBondContact N-O 2.95Å; L795-F813 PolarHBondContact O-N 3.28Å; F813-N815 HydrophobicContact CE1-CB 3.64Å; F813-N815 HydrophobicContact CZ-CB 3.83Å; F813-L859 HydrophobicContact CB-CD2 3.93Å; F813-L859 HydrophobicContact CD2-CD2 3.71Å; F813-L859 HydrophobicContact CG-CD2 4.33Å |
| 814 | K | 95.6 | Very high | 90.5 | Very high | 29 Ų | 29 | 31.1 Ų | 31.1 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.8 | -176.4 | -167.9 | 163.6 | 175.1 | -152 | 0 | 109.3 | P794 D817 L819 A857 G858 I860 | P794-K814 HydrophobicContact CB-CB 4.36Å; P794-K814 HydrophobicContact CB-CG 4.29Å; P794-K814 HydrophobicContact CG-CD 4.11Å; P794-K814 HydrophobicContact CG-CG 4.06Å; K814-D817 WeakPolarHBondContact CE-OD2 3.28Å; K814-D817 IonicContact NZ-OD2 3.45Å; K814-D817 PolarHBondContact NZ-OD2 3.5Å; K814-L819 HydrophobicContact CB-CD1 4.4Å; K814-L819 HydrophobicContact CD-CD2 4.13Å; K814-A857 WeakPolarHBondContact O-CA 3.36Å; K814-G858 PolarHBondContact N-O 3.24Å; K814-G858 PolarHBondContact O-N 3.15Å; K814-I860 HydrophobicContact CD-CD1 4.34Å |
| 815 | N | 93.4 | Very high | 91.2 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.053 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 117 | -176.6 | 166 | 50.9 | 0 | 0 | 0 | 108.8 | N726 E727 K730 F813 R856 | N726-N815 WeakPolarHBondContact OD1-CB 3.46Å; N726-N815 PolarHBondContact OD1-ND2 3.36Å; E727-N815 PolarHBondContact OE1-ND2 2.89Å; K730-N815 WeakPolarHBondContact CE-O 3.24Å; K730-N815 PolarHBondContact NZ-ND2 3.11Å; K730-N815 PolarHBondContact NZ-O 3.35Å; F813-N815 HydrophobicContact CE1-CB 3.64Å; F813-N815 HydrophobicContact CZ-CB 3.83Å; N815-R856 CarbonylContact C-O 3.11Å; N815-R856 WeakPolarHBondContact CA-O 3.28Å |
| 816 | G | 87.9 | Confident | 92.4 | Very high | 23 Ų | 23 | 23.2 Ų | 23.2 | 24% | 0.237 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 127 | -14.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | R856 | G816-R856 PolarHBondContact N-O 3.37Š|
| 817 | D | 89 | Confident | 93.4 | Very high | 55 Ų | 55 | 19.6 Ų | 19.6 | 29% | 0.294 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -121.8 | 145 | 178.4 | -65.4 | -33.8 | 0 | 0 | 0 | 110.3 | K814 L819 R856 | K814-D817 WeakPolarHBondContact CE-OD2 3.28Å; K814-D817 IonicContact NZ-OD2 3.45Å; K814-D817 PolarHBondContact NZ-OD2 3.5Å; D817-L819 PolarHBondContact O-N 2.94Å; D817-R856 PolarHBondContact N-O 2.63Å; D817-R856 CarbonylContact O-C 3.51Å; D817-R856 VanDerWaalsContact O-CA 3.26Å; D817-R856 WeakPolarHBondContact O-CA 3.46Å; D817-R856 VanDerWaalsContact O-O 3.13Å |
| 818 | D | 89.9 | Confident | 94.1 | Very high | 44 Ų | 44 | 17.1 Ų | 17.1 | 24% | 0.235 | 10% | 0.096 | C | C | . | . | trans | -79.5 | 110.8 | 176.4 | -173.4 | -4.5 | 0 | 0 | 0 | 110.7 | R820 R856 | D818-R820 VanDerWaalsContact OD1-CB 3.32Å; D818-R820 WeakPolarHBondContact OD1-CB 3.48Å; D818-R820 VanDerWaalsContact OD1-CG 3.27Å; D818-R820 WeakPolarHBondContact OD1-CG 3.47Å; D818-R820 IonicContact OD1-CZ 3.71Å; D818-R820 PolarHBondContact OD1-N 3.48Å; D818-R820 IonicContact OD1-NE 2.71Å; D818-R820 PolarHBondContact OD1-NE 2.78Å; D818-R820 IonicContact OD2-CZ 2.7Å; D818-R820 IonicContact OD2-NE 3.55Å; D818-R820 PolarHBondContact OD2-NE 3.17Å; D818-R820 VanDerWaalsContact OD2-NE 3.15Å; D818-R820 IonicContact OD2-NH2 2.85Å; D818-R820 PolarHBondContact OD2-NH2 2.86Å; D818-R856 HydrophobicContact CB-CG 4.35Å | ||
| 819 | L | 93.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | trans | -86.8 | -0.8 | -178.5 | -61 | -172.1 | 0 | 0 | 0 | 114 | K814 D817 Q821 D822 M823 A852 I860 | K814-L819 HydrophobicContact CB-CD1 4.4Å; K814-L819 HydrophobicContact CD-CD2 4.13Å; D817-L819 PolarHBondContact O-N 2.94Å; L819-Q821 PolarHBondContact O-N 3.42Å; L819-D822 PolarHBondContact O-N 3.08Å; L819-M823 WeakPolarHBondContact O-CB 3.37Å; L819-M823 PolarHBondContact O-N 3.34Å; L819-A852 HydrophobicContact CB-CB 4.49Å; L819-I860 HydrophobicContact CD1-CD1 4.41Å; L819-I860 HydrophobicContact CD1-CG1 4.2Å; L819-I860 HydrophobicContact CD2-CD1 4.27Å | ||
| 820 | R | 93.8 | Very high | 94.6 | Very high | 29 Ų | 29 | 16.5 Ų | 16.5 | 11% | 0.109 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.3 | -30.7 | -177.6 | -64.6 | 176.6 | -63 | 153 | 8.2 | 112 | E684 D818 M823 L824 A852 A1019 G1020 L1021 | E684-R820 WeakPolarHBondContact OE1-CD 3.29Å; E684-R820 IonicContact OE1-CZ 3.94Å; E684-R820 IonicContact OE1-NH1 2.78Å; E684-R820 PolarHBondContact OE1-NH1 3.44Å; D818-R820 VanDerWaalsContact OD1-CB 3.32Å; D818-R820 WeakPolarHBondContact OD1-CB 3.48Å; D818-R820 VanDerWaalsContact OD1-CG 3.27Å; D818-R820 WeakPolarHBondContact OD1-CG 3.47Å; D818-R820 IonicContact OD1-CZ 3.71Å; D818-R820 PolarHBondContact OD1-N 3.48Å; D818-R820 IonicContact OD1-NE 2.71Å; D818-R820 PolarHBondContact OD1-NE 2.78Å; D818-R820 IonicContact OD2-CZ 2.7Å; D818-R820 IonicContact OD2-NE 3.55Å; D818-R820 PolarHBondContact OD2-NE 3.17Å; D818-R820 VanDerWaalsContact OD2-NE 3.15Å; D818-R820 IonicContact OD2-NH2 2.85Å; D818-R820 PolarHBondContact OD2-NH2 2.86Å; R820-M823 HydrophobicContact CG-CE 4.45Å; R820-M823 PolarHBondContact O-N 2.97Å; R820-L824 PolarHBondContact O-N 3.3Å; R820-A852 HydrophobicContact CG-CB 3.76Å; R820-A1019 PolarHBondContact NH1-O 2.6Å; R820-G1020 PolarHBondContact NH2-O 3Å; R820-L1021 HydrophobicContact CB-CD2 3.56Å |
| 821 | Q | 92.6 | Very high | 94.7 | Very high | 11 Ų | 11 | 16 Ų | 16 | 5% | 0.051 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -69.6 | -44.2 | 175.1 | -174.5 | 168 | -36.9 | 0 | 0 | 112.3 | L819 M823 L824 T825 F947 G948 I950 L1021 E1023 | L819-Q821 PolarHBondContact O-N 3.42Å; Q821-M823 VanDerWaalsContact C-N 3.33Å; Q821-L824 PolarHBondContact O-N 2.8Å; Q821-T825 PolarHBondContact O-N 3.26Å; Q821-T825 PolarHBondContact O-OG1 2.84Å; Q821-F947 PolarHBondContact NE2-O 3.33Å; Q821-G948 PolarHBondContact NE2-O 2.99Å; Q821-G948 VanDerWaalsContact NE2-O 3.13Å; Q821-I950 HydrophobicContact CG-CD1 4Å; Q821-I950 HydrophobicContact CG-CG1 4.32Å; Q821-L1021 HydrophobicContact CB-CD2 4.46Å; Q821-E1023 PolarHBondContact NE2-OE2 3.27Å |
| 822 | D | 94.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 15.5 Ų | 15.5 | 5% | 0.048 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 171.7 | -67.7 | -104.1 | 0 | 0 | 0 | 111.5 | L819 L824 T825 L826 F947 | L819-D822 PolarHBondContact O-N 3.08Å; D822-L824 PolarHBondContact O-N 3.14Å; D822-T825 PolarHBondContact O-N 3.2Å; D822-L826 WeakPolarHBondContact O-CB 3.49Å; D822-L826 WeakPolarHBondContact O-CG 3.25Å; D822-L826 PolarHBondContact O-N 2.75Å; D822-F947 PolarHBondContact OD1-N 3.4Å |
| 823 | M | 95.6 | Very high | 94.6 | Very high | 9 Ų | 9 | 15.3 Ų | 15.3 | 4% | 0.044 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 178.6 | -173.3 | 174.7 | 65.7 | 0 | 0 | 112 | L643 L819 R820 Q821 Q827 C850 L851 | L643-M823 HydrophobicContact CD1-CE 3.41Å; L643-M823 VanDerWaalsContact CD1-CE 3.41Å; L643-M823 HydrophobicContact CD2-CE 3.92Å; L643-M823 HydrophobicContact CD2-CG 4.46Å; L643-M823 HydrophobicContact CG-CE 4.32Å; L819-M823 WeakPolarHBondContact O-CB 3.37Å; L819-M823 PolarHBondContact O-N 3.34Å; R820-M823 HydrophobicContact CG-CE 4.45Å; R820-M823 PolarHBondContact O-N 2.97Å; Q821-M823 VanDerWaalsContact C-N 3.33Å; M823-Q827 WeakPolarHBondContact O-CB 3.29Å; M823-Q827 PolarHBondContact O-N 3.02Å; M823-C850 WeakPolarHBondContact CG-O 3.33Å; M823-L851 HydrophobicContact SD-CD1 4.11Å |
| 824 | L | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.8 | -48.7 | 173.5 | 175.7 | 61.6 | 0 | 0 | 0 | 110.9 | L643 R820 Q821 D822 L826 Q827 I828 F1013 M1016 L1021 L1024 | L643-L824 HydrophobicContact CD2-CB 4.29Å; L643-L824 HydrophobicContact CD2-CD1 4.38Å; R820-L824 PolarHBondContact O-N 3.3Å; Q821-L824 PolarHBondContact O-N 2.8Å; D822-L824 PolarHBondContact O-N 3.14Å; L824-L826 PolarHBondContact O-N 3.16Å; L824-Q827 WeakPolarHBondContact O-CB 3.46Å; L824-Q827 PolarHBondContact O-N 3.26Å; L824-I828 HydrophobicContact CD1-CD1 4.39Å; L824-I828 HydrophobicContact CD1-CG1 4.04Å; L824-I828 HydrophobicContact CG-CG1 4.45Å; L824-I828 WeakPolarHBondContact O-CG1 3.41Å; L824-I828 PolarHBondContact O-N 3.42Å; L824-F1013 HydrophobicContact CD2-CD1 4.33Å; L824-F1013 HydrophobicContact CD2-CE1 3.99Å; L824-M1016 HydrophobicContact CD1-CE 4.35Å; L824-M1016 HydrophobicContact CD1-CG 3.92Å; L824-M1016 HydrophobicContact CD1-SD 4.45Å; L824-M1016 HydrophobicContact CD2-CB 4.41Å; L824-M1016 HydrophobicContact CD2-CE 4.31Å; L824-M1016 HydrophobicContact CD2-CG 4.19Å; L824-L1021 HydrophobicContact CD2-CD1 3.66Å; L824-L1024 HydrophobicContact CD2-CD2 4.27Å |
| 825 | T | 95.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.012 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | -178.1 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | Q821 D822 Q827 I828 L829 L924 I926 F947 | Q821-T825 PolarHBondContact O-N 3.26Å; Q821-T825 PolarHBondContact O-OG1 2.84Å; D822-T825 PolarHBondContact O-N 3.2Å; T825-Q827 VanDerWaalsContact C-N 3.34Å; T825-Q827 PolarHBondContact O-N 2.82Å; T825-I828 PolarHBondContact O-N 2.92Å; T825-L829 HydrophobicContact CG2-CD1 4.46Å; T825-L829 WeakPolarHBondContact O-CG 3.41Å; T825-L829 PolarHBondContact O-N 3.32Å; T825-L924 HydrophobicContact CG2-CD1 4.34Å; T825-I926 HydrophobicContact CG2-CD1 3.71Å; T825-I926 HydrophobicContact CG2-CG1 4.4Å; T825-F947 HydrophobicContact CG2-CB 3.81Å; T825-F947 HydrophobicContact CG2-CD1 3.59Å; T825-F947 HydrophobicContact CG2-CD2 4.15Å; T825-F947 HydrophobicContact CG2-CE1 4.14Å; T825-F947 HydrophobicContact CG2-CG 3.58Å |
| 826 | L | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.8 | -34.4 | 177.3 | -76.7 | 160.3 | 0 | 0 | 0 | 112.7 | D822 L824 L829 R830 Y848 C850 F947 | D822-L826 WeakPolarHBondContact O-CB 3.49Å; D822-L826 WeakPolarHBondContact O-CG 3.25Å; D822-L826 PolarHBondContact O-N 2.75Å; L824-L826 PolarHBondContact O-N 3.16Å; L826-L829 HydrophobicContact CD2-CD1 4.32Å; L826-L829 PolarHBondContact O-N 2.87Å; L826-R830 WeakPolarHBondContact O-CG 3.35Å; L826-R830 PolarHBondContact O-N 3.12Å; L826-Y848 HydrophobicContact CD1-CD2 3.93Å; L826-Y848 HydrophobicContact CD1-CE2 3.48Å; L826-Y848 VanDerWaalsContact CD1-CE2 3.48Å; L826-Y848 HydrophobicContact CD2-CD1 4.05Å; L826-Y848 HydrophobicContact CD2-CD2 4.29Å; L826-Y848 HydrophobicContact CD2-CE1 3.89Å; L826-Y848 HydrophobicContact CD2-CE2 4.14Å; L826-Y848 HydrophobicContact CD2-CG 4.24Å; L826-Y848 HydrophobicContact CG-CE2 4.43Å; L826-C850 HydrophobicContact CD1-CB 3.37Å; L826-F947 HydrophobicContact CD1-CD2 4.46Å; L826-F947 HydrophobicContact CD1-CE2 4.32Å; L826-F947 HydrophobicContact CD2-CE2 3.73Å; L826-F947 HydrophobicContact CD2-CZ 4.42Å; L826-F947 HydrophobicContact CG-CD2 4.11Å; L826-F947 HydrophobicContact CG-CE2 3.79Å |
| 827 | Q | 96.6 | Very high | 94.4 | Very high | 8 Ų | 8 | 18.1 Ų | 18.1 | 4% | 0.037 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 171.9 | -177.2 | -144 | -34.6 | 0 | 0 | 111.3 | Q640 L643 Q644 M823 L824 T825 L829 R830 L831 | Q640-Q827 PolarHBondContact O-NE2 2.78Å; L643-Q827 VanDerWaalsContact CD2-OE1 3.29Å; Q644-Q827 VanDerWaalsContact CD-NE2 3.29Å; M823-Q827 WeakPolarHBondContact O-CB 3.29Å; M823-Q827 PolarHBondContact O-N 3.02Å; L824-Q827 WeakPolarHBondContact O-CB 3.46Å; L824-Q827 PolarHBondContact O-N 3.26Å; T825-Q827 VanDerWaalsContact C-N 3.34Å; T825-Q827 PolarHBondContact O-N 2.82Å; Q827-L829 VanDerWaalsContact C-N 3.31Å; Q827-L829 PolarHBondContact O-N 2.78Å; Q827-R830 VanDerWaalsContact CA-NH2 3.31Å; Q827-R830 WeakPolarHBondContact O-CB 3.34Å; Q827-R830 PolarHBondContact O-N 3.05Å; Q827-R830 VanDerWaalsContact O-N 3.15Å; Q827-L831 PolarHBondContact O-N 3.09Å |
| 828 | I | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.2 | -36.7 | 176.9 | -62.5 | -62 | 0 | 0 | 0 | 111.1 | L824 T825 R830 L831 M832 L924 F1009 L1012 F1013 | L824-I828 HydrophobicContact CD1-CD1 4.39Å; L824-I828 HydrophobicContact CD1-CG1 4.04Å; L824-I828 HydrophobicContact CG-CG1 4.45Å; L824-I828 WeakPolarHBondContact O-CG1 3.41Å; L824-I828 PolarHBondContact O-N 3.42Å; T825-I828 PolarHBondContact O-N 2.92Å; I828-R830 PolarHBondContact O-N 3.1Å; I828-L831 WeakPolarHBondContact O-CB 3.09Å; I828-L831 PolarHBondContact O-N 3.16Å; I828-M832 HydrophobicContact CG2-CE 3.96Å; I828-M832 WeakPolarHBondContact O-CG 3.34Å; I828-M832 PolarHBondContact O-N 3.19Å; I828-L924 HydrophobicContact CG2-CD1 4.01Å; I828-L924 HydrophobicContact CG2-CD2 3.67Å; I828-L924 HydrophobicContact CG2-CG 4.43Å; I828-F1009 HydrophobicContact CG2-CD1 3.87Å; I828-F1009 HydrophobicContact CG2-CE1 3.77Å; I828-L1012 HydrophobicContact CD1-CB 4.31Å; I828-L1012 HydrophobicContact CD1-CD1 4.04Å; I828-F1013 HydrophobicContact CD1-CD2 4.48Å; I828-F1013 HydrophobicContact CD1-CE2 3.99Å; I828-F1013 HydrophobicContact CG1-CE2 3.82Å; I828-F1013 HydrophobicContact CG1-CZ 4.13Å; I828-F1013 HydrophobicContact CG2-CE2 4.35Å |
| 829 | L | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 171.4 | -74.8 | 170.6 | 0 | 0 | 0 | 112.7 | T825 L826 Q827 L831 M832 D833 I845 P847 Y917 A920 F947 | T825-L829 HydrophobicContact CG2-CD1 4.46Å; T825-L829 WeakPolarHBondContact O-CG 3.41Å; T825-L829 PolarHBondContact O-N 3.32Å; L826-L829 HydrophobicContact CD2-CD1 4.32Å; L826-L829 PolarHBondContact O-N 2.87Å; Q827-L829 VanDerWaalsContact C-N 3.31Å; Q827-L829 PolarHBondContact O-N 2.78Å; L829-L831 VanDerWaalsContact C-N 3.32Å; L829-M832 HydrophobicContact CD2-SD 4.46Å; L829-M832 PolarHBondContact O-N 2.97Å; L829-D833 WeakPolarHBondContact O-CB 3.35Å; L829-D833 PolarHBondContact O-N 3.26Å; L829-I845 HydrophobicContact CB-CG2 4.49Å; L829-P847 HydrophobicContact CB-CB 4.32Å; L829-Y917 HydrophobicContact CD1-CE1 4.09Å; L829-Y917 HydrophobicContact CD2-CE1 4.38Å; L829-A920 HydrophobicContact CD2-CB 3.48Å; L829-A920 VanDerWaalsContact CD2-CB 3.48Å; L829-F947 HydrophobicContact CD1-CE1 4.16Å; L829-F947 HydrophobicContact CD1-CE2 4.37Å; L829-F947 HydrophobicContact CD1-CZ 3.76Å |
| 830 | R | 95.4 | Very high | 94.1 | Very high | 71 Ų | 71 | 28 Ų | 28 | 27% | 0.268 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 172 | -74.1 | -174.6 | -72.2 | -86 | 1 | 111.9 | L826 Q827 I828 D833 L834 P847 | L826-R830 WeakPolarHBondContact O-CG 3.35Å; L826-R830 PolarHBondContact O-N 3.12Å; Q827-R830 VanDerWaalsContact CA-NH2 3.31Å; Q827-R830 WeakPolarHBondContact O-CB 3.34Å; Q827-R830 PolarHBondContact O-N 3.05Å; Q827-R830 VanDerWaalsContact O-N 3.15Å; I828-R830 PolarHBondContact O-N 3.1Å; R830-D833 PolarHBondContact O-N 3.03Å; R830-L834 WeakPolarHBondContact O-CB 3.28Å; R830-L834 PolarHBondContact O-N 3.02Å; R830-P847 HydrophobicContact CB-CG 4.47Å; R830-P847 HydrophobicContact CG-CB 3.45Å; R830-P847 VanDerWaalsContact CG-CB 3.45Å; R830-P847 HydrophobicContact CG-CG 3.42Å; R830-P847 VanDerWaalsContact CG-CG 3.42Å; R830-P847 PolarHBondContact NH1-O 2.84Å |
| 831 | L | 95.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.5 | -43.5 | 176.9 | 178.3 | 62.8 | 0 | 0 | 0 | 111.6 | Y641 Q827 I828 L829 D833 L834 L835 L1008 F1009 L1012 | Y641-L831 HydrophobicContact CE1-CD1 4.2Å; Y641-L831 HydrophobicContact CE1-CD2 4.3Å; Q827-L831 PolarHBondContact O-N 3.09Å; I828-L831 WeakPolarHBondContact O-CB 3.09Å; I828-L831 PolarHBondContact O-N 3.16Å; L829-L831 VanDerWaalsContact C-N 3.32Å; L831-D833 VanDerWaalsContact C-N 3.34Å; L831-D833 PolarHBondContact O-N 3.45Å; L831-L834 WeakPolarHBondContact O-CB 3.47Å; L831-L834 PolarHBondContact O-N 3.47Å; L831-L835 HydrophobicContact CD1-CD1 4.27Å; L831-L835 HydrophobicContact CD1-CG 4.14Å; L831-L835 HydrophobicContact CG-CD1 4.07Å; L831-L835 HydrophobicContact CG-CG 4.37Å; L831-L835 VanDerWaalsContact O-CG 3.28Å; L831-L835 WeakPolarHBondContact O-CG 3.28Å; L831-L835 PolarHBondContact O-N 3.3Å; L831-L1008 HydrophobicContact CD1-CD2 4.15Å; L831-L1008 HydrophobicContact CD2-CD2 3.93Å; L831-L1008 HydrophobicContact CD2-CG 4.25Å; L831-F1009 HydrophobicContact CD2-CD1 4.28Å; L831-F1009 HydrophobicContact CD2-CE1 3.84Å; L831-F1009 HydrophobicContact CD2-CZ 4.47Å; L831-F1009 HydrophobicContact CG-CE1 4.23Å; L831-L1012 HydrophobicContact CD2-CD1 3.33Å |
| 832 | M | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 175.1 | -69.3 | -178.6 | 171.9 | 0 | 0 | 111.3 | I828 L829 L834 L835 W836 A920 V923 L924 L1002 F1009 | I828-M832 HydrophobicContact CG2-CE 3.96Å; I828-M832 WeakPolarHBondContact O-CG 3.34Å; I828-M832 PolarHBondContact O-N 3.19Å; L829-M832 HydrophobicContact CD2-SD 4.46Å; L829-M832 PolarHBondContact O-N 2.97Å; M832-L834 VanDerWaalsContact C-N 3.32Å; M832-L834 PolarHBondContact O-N 3.4Å; M832-L835 PolarHBondContact O-N 2.92Å; M832-W836 HydrophobicContact CB-CD2 4.47Å; M832-W836 HydrophobicContact CB-CE3 4.19Å; M832-W836 HydrophobicContact CB-CH2 3.93Å; M832-W836 HydrophobicContact CB-CZ2 4.22Å; M832-W836 HydrophobicContact CB-CZ3 3.9Å; M832-W836 VanDerWaalsContact O-CG 3.24Å; M832-W836 PolarHBondContact O-N 2.85Å; M832-W836 HydrophobicContact SD-CH2 4.41Å; M832-A920 HydrophobicContact SD-CB 3.6Å; M832-A920 VanDerWaalsContact SD-CB 3.6Å; M832-V923 HydrophobicContact CE-CB 4.32Å; M832-V923 HydrophobicContact CE-CG1 3.93Å; M832-L924 HydrophobicContact CE-CD1 3.91Å; M832-L924 HydrophobicContact CE-CD2 3.78Å; M832-L924 HydrophobicContact CE-CG 3.66Å; M832-L924 HydrophobicContact SD-CD1 4.3Å; M832-L1002 HydrophobicContact CB-CD2 3.93Å; M832-L1002 HydrophobicContact CE-CD1 3.72Å; M832-L1002 HydrophobicContact CG-CD1 4.02Å; M832-L1002 HydrophobicContact CG-CD2 3.68Å; M832-L1002 HydrophobicContact SD-CD1 3.75Å; M832-F1009 HydrophobicContact CE-CE1 4.02Å; M832-F1009 HydrophobicContact CE-CZ 4.17Å; M832-F1009 HydrophobicContact CG-CE1 3.91Å; M832-F1009 HydrophobicContact CG-CZ 3.77Å |
| 833 | D | 95.1 | Very high | 93.9 | Very high | 18 Ų | 18 | 28.1 Ų | 28.1 | 10% | 0.096 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59 | -41.9 | 175.9 | -175.1 | 58.2 | 0 | 0 | 0 | 112.3 | L829 R830 L831 K837 I845 | L829-D833 WeakPolarHBondContact O-CB 3.35Å; L829-D833 PolarHBondContact O-N 3.26Å; R830-D833 PolarHBondContact O-N 3.03Å; L831-D833 VanDerWaalsContact C-N 3.34Å; L831-D833 PolarHBondContact O-N 3.45Å; D833-K837 WeakPolarHBondContact O-CB 3.38Å; D833-K837 VanDerWaalsContact O-CG 3.27Å; D833-K837 WeakPolarHBondContact O-CG 3.49Å; D833-K837 PolarHBondContact O-N 2.91Å; D833-K837 VanDerWaalsContact OD1-CE 3.3Å; D833-K837 WeakPolarHBondContact OD1-CE 3.37Å; D833-K837 IonicContact OD1-NZ 2.87Å; D833-K837 PolarHBondContact OD1-NZ 2.98Å; D833-K837 WeakPolarHBondContact OD2-CE 3.44Å; D833-K837 IonicContact OD2-NZ 2.74Å; D833-K837 PolarHBondContact OD2-NZ 3.35Å; D833-I845 HydrophobicContact CB-CB 3.99Å; D833-I845 HydrophobicContact CB-CG1 4.14Å; D833-I845 HydrophobicContact CB-CG2 4.43Å |
| 834 | L | 91.4 | Very high | 93.7 | Very high | 51 Ų | 51 | 30.2 Ų | 30.2 | 27% | 0.267 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -62.3 | -49.2 | 175.1 | -178.9 | 150.9 | 0 | 0 | 0 | 111.7 | Q640 R830 L831 M832 W836 K837 E838 | Q640-L834 HydrophobicContact CG-CD1 4.32Å; R830-L834 WeakPolarHBondContact O-CB 3.28Å; R830-L834 PolarHBondContact O-N 3.02Å; L831-L834 WeakPolarHBondContact O-CB 3.47Å; L831-L834 PolarHBondContact O-N 3.47Å; M832-L834 VanDerWaalsContact C-N 3.32Å; M832-L834 PolarHBondContact O-N 3.4Å; L834-W836 VanDerWaalsContact C-N 3.34Å; L834-W836 PolarHBondContact O-N 2.68Å; L834-K837 PolarHBondContact O-N 2.75Å; L834-E838 HydrophobicContact CD2-CG 4.13Å; L834-E838 VanDerWaalsContact CD2-OE1 3.23Å; L834-E838 WeakPolarHBondContact CD2-OE1 3.13Å; L834-E838 WeakPolarHBondContact O-CG 3.15Å; L834-E838 PolarHBondContact O-N 3.06Å |
| 835 | L | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.1 | -37.8 | -179.6 | -67.5 | 172.5 | 0 | 0 | 0 | 112.3 | L831 M832 E839 I1001 N1005 F1009 | L831-L835 HydrophobicContact CD1-CD1 4.27Å; L831-L835 HydrophobicContact CD1-CG 4.14Å; L831-L835 HydrophobicContact CG-CD1 4.07Å; L831-L835 HydrophobicContact CG-CG 4.37Å; L831-L835 VanDerWaalsContact O-CG 3.28Å; L831-L835 WeakPolarHBondContact O-CG 3.28Å; L831-L835 PolarHBondContact O-N 3.3Å; M832-L835 PolarHBondContact O-N 2.92Å; L835-E839 PolarHBondContact O-N 3.25Å; L835-I1001 HydrophobicContact CB-CG2 4.35Å; L835-N1005 HydrophobicContact CD1-CB 3.73Å; L835-N1005 HydrophobicContact CD2-CB 4.48Å; L835-F1009 HydrophobicContact CD1-CE2 4.01Å; L835-F1009 HydrophobicContact CD1-CZ 3.69Å |
| 836 | W | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.5 | -42.7 | 174 | -65.1 | -38.7 | 0 | 0 | 0 | 111.4 | M832 L834 E838 E839 N840 L841 L843 I845 G916 V919 A920 A998 L1002 | M832-W836 HydrophobicContact CB-CD2 4.47Å; M832-W836 HydrophobicContact CB-CE3 4.19Å; M832-W836 HydrophobicContact CB-CH2 3.93Å; M832-W836 HydrophobicContact CB-CZ2 4.22Å; M832-W836 HydrophobicContact CB-CZ3 3.9Å; M832-W836 VanDerWaalsContact O-CG 3.24Å; M832-W836 PolarHBondContact O-N 2.85Å; M832-W836 HydrophobicContact SD-CH2 4.41Å; L834-W836 VanDerWaalsContact C-N 3.34Å; L834-W836 PolarHBondContact O-N 2.68Å; W836-E838 PolarHBondContact O-N 3.47Å; W836-E839 CarbonylContact O-C 3.52Å; W836-E839 PolarHBondContact O-N 2.8Å; W836-E839 VanDerWaalsContact O-N 3.15Å; W836-N840 PolarHBondContact O-N 3.02Å; W836-L841 CarbonylContact C-O 3.52Å; W836-L841 HydrophobicContact CB-CB 4.27Å; W836-L841 WeakPolarHBondContact CB-O 3.4Å; W836-L841 WeakPolarHBondContact O-CA 3.31Å; W836-L841 WeakPolarHBondContact O-CB 3.5Å; W836-L841 PolarHBondContact O-N 3.13Å; W836-L843 HydrophobicContact CD2-CD1 3.57Å; W836-L843 HydrophobicContact CD2-CG 4.38Å; W836-L843 HydrophobicContact CE3-CB 4.17Å; W836-L843 HydrophobicContact CE3-CD1 3.58Å; W836-L843 HydrophobicContact CE3-CG 4.21Å; W836-L843 HydrophobicContact CG-CD1 4.09Å; W836-L843 HydrophobicContact CH2-CD1 4.12Å; W836-L843 HydrophobicContact CZ2-CD1 4.1Å; W836-L843 HydrophobicContact CZ3-CB 4.49Å; W836-L843 HydrophobicContact CZ3-CD1 3.88Å; W836-I845 HydrophobicContact CE3-CG1 4.08Å; W836-I845 HydrophobicContact CZ3-CD1 3.74Å; W836-I845 HydrophobicContact CZ3-CG1 3.64Å; W836-G916 WeakPolarHBondContact CH2-O 3.23Å; W836-V919 HydrophobicContact CZ2-CB 4.44Å; W836-V919 HydrophobicContact CZ2-CG1 4.16Å; W836-A920 HydrophobicContact CH2-CB 4.23Å; W836-A998 HydrophobicContact CZ2-CB 4.03Å; W836-A998 PolarHBondContact NE1-O 2.77Å; W836-L1002 HydrophobicContact CH2-CD1 4.49Å; W836-L1002 HydrophobicContact CZ2-CD1 3.63Å; W836-L1002 HydrophobicContact CZ2-CD2 4Å; W836-L1002 HydrophobicContact CZ2-CG 3.86Å |
| 837 | K | 88.6 | Confident | 93.4 | Very high | 72 Ų | 72 | 33.2 Ų | 33.2 | 31% | 0.313 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -66.5 | -34.4 | 176.7 | -75 | 169.7 | 177.6 | 168.6 | 0 | 113.3 | D833 L834 E839 N840 D842 | D833-K837 WeakPolarHBondContact O-CB 3.38Å; D833-K837 VanDerWaalsContact O-CG 3.27Å; D833-K837 WeakPolarHBondContact O-CG 3.49Å; D833-K837 PolarHBondContact O-N 2.91Å; D833-K837 VanDerWaalsContact OD1-CE 3.3Å; D833-K837 WeakPolarHBondContact OD1-CE 3.37Å; D833-K837 IonicContact OD1-NZ 2.87Å; D833-K837 PolarHBondContact OD1-NZ 2.98Å; D833-K837 WeakPolarHBondContact OD2-CE 3.44Å; D833-K837 IonicContact OD2-NZ 2.74Å; D833-K837 PolarHBondContact OD2-NZ 3.35Å; L834-K837 PolarHBondContact O-N 2.75Å; K837-E839 PolarHBondContact O-N 2.86Å; K837-N840 PolarHBondContact O-N 3.24Å; K837-D842 WeakPolarHBondContact CE-OD1 3.27Å; K837-D842 HydrophobicContact CG-CB 4.46Å; K837-D842 IonicContact NZ-OD1 3.44Å |
| 838 | E | 88.3 | Confident | 93.4 | Very high | 101 Ų | 101 | 33.3 Ų | 33.3 | 47% | 0.472 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -57.9 | -32.3 | 172.1 | -77.2 | -179.9 | 169.2 | 0 | 0 | 111.9 | R607 L834 W836 | R607-E838 IonicContact CZ-OE1 2.66Å; R607-E838 IonicContact CZ-OE2 3.16Å; R607-E838 IonicContact NH1-OE1 3.81Å; R607-E838 IonicContact NH1-OE2 2.83Å; R607-E838 PolarHBondContact NH1-OE2 3.33Å; R607-E838 IonicContact NH2-OE1 2.77Å; R607-E838 PolarHBondContact NH2-OE1 3.31Å; R607-E838 IonicContact NH2-OE2 2.86Å; L834-E838 HydrophobicContact CD2-CG 4.13Å; L834-E838 VanDerWaalsContact CD2-OE1 3.23Å; L834-E838 WeakPolarHBondContact CD2-OE1 3.13Å; L834-E838 WeakPolarHBondContact O-CG 3.15Å; L834-E838 PolarHBondContact O-N 3.06Å; W836-E838 PolarHBondContact O-N 3.47Å |
| 839 | E | 90.3 | Very high | 93.3 | Very high | 94 Ų | 94 | 34 Ų | 34 | 44% | 0.439 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 19.6 | 177 | -60 | -77.3 | -179.8 | 0 | 0 | 112.4 | L835 W836 K837 L841 I1001 K1004 | L835-E839 PolarHBondContact O-N 3.25Å; W836-E839 CarbonylContact O-C 3.52Å; W836-E839 PolarHBondContact O-N 2.8Å; W836-E839 VanDerWaalsContact O-N 3.15Å; K837-E839 PolarHBondContact O-N 2.86Å; E839-L841 VanDerWaalsContact C-N 3.31Å; E839-L841 PolarHBondContact O-N 2.78Å; E839-I1001 HydrophobicContact CB-CD1 3.83Å; E839-I1001 HydrophobicContact CB-CG1 4.17Å; E839-I1001 HydrophobicContact CG-CD1 4.36Å; E839-I1001 HydrophobicContact CG-CG1 4.16Å; E839-I1001 HydrophobicContact CG-CG2 4.06Å; E839-K1004 IonicContact OE1-NZ 3.56Å; E839-K1004 PolarHBondContact OE1-NZ 3.36Å |
| 840 | N | 87.4 | Confident | 93.3 | Very high | 113 Ų | 113 | 34.5 Ų | 34.5 | 60% | 0.604 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 24 | 179.7 | -59.3 | -69.8 | 0 | 0 | 0 | 116.1 | W836 K837 | W836-N840 PolarHBondContact O-N 3.02Å; K837-N840 PolarHBondContact O-N 3.24Å |
| 841 | L | 91.3 | Very high | 93.5 | Very high | 23 Ų | 23 | 31.3 Ų | 31.3 | 12% | 0.12 | 16% | 0.159 | C | C | . | . | trans | -107.1 | 95.1 | 176.1 | -173.4 | 66.2 | 0 | 0 | 0 | 110.7 | W836 E839 L843 Y994 D997 A998 I1001 | W836-L841 CarbonylContact C-O 3.52Å; W836-L841 HydrophobicContact CB-CB 4.27Å; W836-L841 WeakPolarHBondContact CB-O 3.4Å; W836-L841 WeakPolarHBondContact O-CA 3.31Å; W836-L841 WeakPolarHBondContact O-CB 3.5Å; W836-L841 PolarHBondContact O-N 3.13Å; E839-L841 VanDerWaalsContact C-N 3.31Å; E839-L841 PolarHBondContact O-N 2.78Å; L841-L843 HydrophobicContact CD1-CD2 3.85Å; L841-L843 HydrophobicContact CD2-CD1 4.04Å; L841-L843 HydrophobicContact CD2-CD2 4.01Å; L841-L843 HydrophobicContact CD2-CG 4.09Å; L841-L843 HydrophobicContact CG-CD1 4.37Å; L841-L843 HydrophobicContact CG-CD2 3.7Å; L841-L843 HydrophobicContact CG-CG 3.86Å; L841-L843 PolarHBondContact O-N 3.38Å; L841-Y994 HydrophobicContact CD1-CD1 4.21Å; L841-D997 HydrophobicContact CD2-CB 4.22Å; L841-A998 HydrophobicContact CD2-CB 3.99Å; L841-I1001 HydrophobicContact CB-CD1 4.23Å; L841-I1001 HydrophobicContact CD2-CD1 3.83Å | ||
| 842 | D | 90.6 | Very high | 93.5 | Very high | 28 Ų | 28 | 31.3 Ų | 31.3 | 15% | 0.15 | 16% | 0.16 | C | C | . | . | trans | -89.2 | 94.8 | 177.2 | -171.1 | -6.4 | 0 | 0 | 0 | 111.5 | K837 R844 | K837-D842 WeakPolarHBondContact CE-OD1 3.27Å; K837-D842 HydrophobicContact CG-CB 4.46Å; K837-D842 IonicContact NZ-OD1 3.44Å; D842-R844 VanDerWaalsContact C-N 3.27Å; D842-R844 PolarHBondContact O-N 3.31Å; D842-R844 PolarHBondContact OD1-N 3.48Å; D842-R844 VanDerWaalsContact OD1-N 3.11Å; D842-R844 IonicContact OD1-NE 3.2Å; D842-R844 IonicContact OD1-NH1 3.92Å; D842-R844 IonicContact OD2-CZ 3.25Å; D842-R844 IonicContact OD2-NE 2.78Å; D842-R844 IonicContact OD2-NH1 3.51Å; D842-R844 PolarHBondContact OD2-NH1 3.01Å; D842-R844 IonicContact OD2-NH2 2.76Å | ||
| 843 | L | 94.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -84.5 | 11.1 | -179.5 | -59.9 | -178.8 | 0 | 0 | 0 | 114 | W836 L841 I845 L912 S913 A998 | W836-L843 HydrophobicContact CD2-CD1 3.57Å; W836-L843 HydrophobicContact CD2-CG 4.38Å; W836-L843 HydrophobicContact CE3-CB 4.17Å; W836-L843 HydrophobicContact CE3-CD1 3.58Å; W836-L843 HydrophobicContact CE3-CG 4.21Å; W836-L843 HydrophobicContact CG-CD1 4.09Å; W836-L843 HydrophobicContact CH2-CD1 4.12Å; W836-L843 HydrophobicContact CZ2-CD1 4.1Å; W836-L843 HydrophobicContact CZ3-CB 4.49Å; W836-L843 HydrophobicContact CZ3-CD1 3.88Å; L841-L843 HydrophobicContact CD1-CD2 3.85Å; L841-L843 HydrophobicContact CD2-CD1 4.04Å; L841-L843 HydrophobicContact CD2-CD2 4.01Å; L841-L843 HydrophobicContact CD2-CG 4.09Å; L841-L843 HydrophobicContact CG-CD1 4.37Å; L841-L843 HydrophobicContact CG-CD2 3.7Å; L841-L843 HydrophobicContact CG-CG 3.86Å; L841-L843 PolarHBondContact O-N 3.38Å; L843-I845 VanDerWaalsContact C-N 3.28Å; L843-I845 HydrophobicContact CB-CD1 4.42Å; L843-I845 HydrophobicContact CB-CG1 4.4Å; L843-I845 PolarHBondContact O-N 3.3Å; L843-L912 HydrophobicContact CD2-CD2 4.2Å; L843-L912 CarbonylContact O-C 3.59Å; L843-L912 VanDerWaalsContact O-C 3.28Å; L843-S913 WeakPolarHBondContact O-CA 3.13Å; L843-S913 PolarHBondContact O-N 3.16Å; L843-A998 HydrophobicContact CD1-CB 3.56Å | ||
| 844 | R | 91.4 | Very high | 93.3 | Very high | 52 Ų | 52 | 31.8 Ų | 31.8 | 20% | 0.196 | 17% | 0.167 | C | C | . | . | trans | 57.5 | 36.8 | 171 | -44.9 | -61.5 | 177.4 | -170.3 | -8.5 | 114 | D842 E909 L912 Q941 | D842-R844 VanDerWaalsContact C-N 3.27Å; D842-R844 PolarHBondContact O-N 3.31Å; D842-R844 PolarHBondContact OD1-N 3.48Å; D842-R844 VanDerWaalsContact OD1-N 3.11Å; D842-R844 IonicContact OD1-NE 3.2Å; D842-R844 IonicContact OD1-NH1 3.92Å; D842-R844 IonicContact OD2-CZ 3.25Å; D842-R844 IonicContact OD2-NE 2.78Å; D842-R844 IonicContact OD2-NH1 3.51Å; D842-R844 PolarHBondContact OD2-NH1 3.01Å; D842-R844 IonicContact OD2-NH2 2.76Å; R844-E909 VanDerWaalsContact CD-OE2 3.32Å; R844-E909 WeakPolarHBondContact CD-OE2 3.32Å; R844-E909 VanDerWaalsContact CG-OE2 3.23Å; R844-E909 WeakPolarHBondContact CG-OE2 3.47Å; R844-E909 IonicContact NE-OE1 2.81Å; R844-E909 IonicContact NE-OE2 3.66Å; R844-L912 HydrophobicContact CG-CB 3.86Å; R844-L912 HydrophobicContact CG-CD1 3.97Å; R844-Q941 HydrophobicContact CB-CG 4.43Å | ||
| 845 | I | 94.4 | Very high | 93.2 | Very high | 13 Ų | 13 | 32.8 Ų | 32.8 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | trans | -66.5 | 144.5 | 179.1 | -57.9 | -62.1 | 0 | 0 | 0 | 110.5 | L829 D833 W836 L843 P847 Y917 | L829-I845 HydrophobicContact CB-CG2 4.49Å; D833-I845 HydrophobicContact CB-CB 3.99Å; D833-I845 HydrophobicContact CB-CG1 4.14Å; D833-I845 HydrophobicContact CB-CG2 4.43Å; W836-I845 HydrophobicContact CE3-CG1 4.08Å; W836-I845 HydrophobicContact CZ3-CD1 3.74Å; W836-I845 HydrophobicContact CZ3-CG1 3.64Å; L843-I845 VanDerWaalsContact C-N 3.28Å; L843-I845 HydrophobicContact CB-CD1 4.42Å; L843-I845 HydrophobicContact CB-CG1 4.4Å; L843-I845 PolarHBondContact O-N 3.3Å; I845-P847 VanDerWaalsContact C-CD 3.48Å; I845-P847 HydrophobicContact CG2-CB 4.43Å; I845-P847 HydrophobicContact CG2-CG 4.44Å; I845-P847 VanDerWaalsContact O-CD 3.24Å; I845-P847 WeakPolarHBondContact O-CD 3.22Å; I845-Y917 HydrophobicContact CD1-CD2 3.97Å; I845-Y917 HydrophobicContact CD1-CE2 3.95Å; I845-Y917 HydrophobicContact CG2-CE2 4.25Å | ||
| 846 | V | 94.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 12% | 0.121 | 20% | 0.196 | C | C | . | . | trans | -116.2 | 81.2 | 177.6 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | Y848 V863 Y917 Q941 F943 | V846-Y848 VanDerWaalsContact C-N 3.34Å; V846-Y848 PolarHBondContact O-N 3.31Å; V846-Y848 VanDerWaalsContact O-N 3.1Å; V846-V863 HydrophobicContact CG1-CG1 4.24Å; V846-V863 HydrophobicContact CG1-CG2 4.04Å; V846-Y917 PolarHBondContact N-OH 3.43Å; V846-Y917 PolarHBondContact O-OH 3.3Å; V846-Q941 HydrophobicContact CG2-CB 4.33Å; V846-F943 HydrophobicContact CB-CB 3.92Å; V846-F943 HydrophobicContact CB-CG 4.18Å; V846-F943 HydrophobicContact CG1-CG 4.49Å; V846-F943 HydrophobicContact CG2-CB 4.4Å | ||
| 847 | P | 94.4 | Very high | 93 | Very high | 32 Ų | 32 | 39.6 Ų | 39.6 | 21% | 0.208 | 20% | 0.2 | C | C | . | . | trans | -89.3 | 73.9 | -178.5 | 36.6 | -33.2 | 0 | 0 | 0 | 110.8 | L829 R830 I845 | L829-P847 HydrophobicContact CB-CB 4.32Å; R830-P847 HydrophobicContact CB-CG 4.47Å; R830-P847 HydrophobicContact CG-CB 3.45Å; R830-P847 VanDerWaalsContact CG-CB 3.45Å; R830-P847 HydrophobicContact CG-CG 3.42Å; R830-P847 VanDerWaalsContact CG-CG 3.42Å; R830-P847 PolarHBondContact NH1-O 2.84Å; I845-P847 VanDerWaalsContact C-CD 3.48Å; I845-P847 HydrophobicContact CG2-CB 4.43Å; I845-P847 HydrophobicContact CG2-CG 4.44Å; I845-P847 VanDerWaalsContact O-CD 3.24Å; I845-P847 WeakPolarHBondContact O-CD 3.22Å | ||
| 848 | Y | 96 | Very high | 93.4 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | trans | -54.2 | 155.2 | -177.5 | 60.2 | -95.8 | 0 | 0 | 0 | 113.2 | L826 V846 C850 I860 V863 F943 H944 I945 F947 | L826-Y848 HydrophobicContact CD1-CD2 3.93Å; L826-Y848 HydrophobicContact CD1-CE2 3.48Å; L826-Y848 VanDerWaalsContact CD1-CE2 3.48Å; L826-Y848 HydrophobicContact CD2-CD1 4.05Å; L826-Y848 HydrophobicContact CD2-CD2 4.29Å; L826-Y848 HydrophobicContact CD2-CE1 3.89Å; L826-Y848 HydrophobicContact CD2-CE2 4.14Å; L826-Y848 HydrophobicContact CD2-CG 4.24Å; L826-Y848 HydrophobicContact CG-CE2 4.43Å; V846-Y848 VanDerWaalsContact C-N 3.34Å; V846-Y848 PolarHBondContact O-N 3.31Å; V846-Y848 VanDerWaalsContact O-N 3.1Å; Y848-C850 PolarHBondContact O-N 2.84Å; Y848-I860 HydrophobicContact CD2-CG2 3.88Å; Y848-I860 HydrophobicContact CE2-CG2 3.64Å; Y848-V863 HydrophobicContact CD1-CG2 4.33Å; Y848-V863 HydrophobicContact CG-CG2 4.32Å; Y848-F943 HydrophobicContact CD1-CD2 4.2Å; Y848-F943 HydrophobicContact CD1-CE2 4.38Å; Y848-F943 HydrophobicContact CE1-CD2 4.26Å; Y848-H944 WeakPolarHBondContact CE1-O 3.47Å; Y848-I945 HydrophobicContact CE1-CB 4.48Å; Y848-I945 HydrophobicContact CE1-CG2 3.74Å; Y848-I945 WeakPolarHBondContact OH-CA 3.28Å; Y848-F947 HydrophobicContact CE1-CE2 4.28Å; Y848-F947 WeakPolarHBondContact OH-CE2 3.28Å | ||
| 849 | G | 96.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 31.5 Ų | 31.5 | 16% | 0.155 | 16% | 0.163 | C | C | . | . | trans | -63.1 | 132.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I860 E861 | G849-I860 CarbonylContact O-C 3.51Å; G849-I860 WeakPolarHBondContact O-CA 3.38Å; G849-E861 PolarHBondContact N-OE2 2.75Å; G849-E861 WeakPolarHBondContact O-CB 3.26Å; G849-E861 PolarHBondContact O-N 3.31Å | ||
| 850 | C | 97.5 | Very high | 94.3 | Very high | 11 Ų | 11 | 28.2 Ų | 28.2 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 130.7 | 169.3 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | M823 L826 Y848 L859 | M823-C850 WeakPolarHBondContact CG-O 3.33Å; L826-C850 HydrophobicContact CD1-CB 3.37Å; Y848-C850 PolarHBondContact O-N 2.84Å; C850-L859 WeakPolarHBondContact CA-O 2.77Å |
| 851 | L | 98 | Very high | 94.7 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 118.4 | -176.6 | -176.1 | 66 | 0 | 0 | 0 | 110.3 | F676 W679 P770 L771 M823 T853 G858 L859 | F676-L851 HydrophobicContact CD1-CD1 4.32Å; W679-L851 HydrophobicContact CB-CD1 3.97Å; W679-L851 HydrophobicContact CB-CD2 3.92Å; W679-L851 HydrophobicContact CB-CG 4.28Å; W679-L851 HydrophobicContact CD2-CD2 4.28Å; W679-L851 HydrophobicContact CG-CD2 3.77Å; P770-L851 HydrophobicContact CB-CD2 4.07Å; P770-L851 WeakPolarHBondContact O-CD2 3.22Å; L771-L851 HydrophobicContact CD2-CB 3.84Å; M823-L851 HydrophobicContact SD-CD1 4.11Å; L851-T853 HydrophobicContact CD2-CG2 4.21Å; L851-T853 HydrophobicContact CG-CG2 4.18Å; L851-G858 CarbonylContact O-C 3.55Å; L851-G858 WeakPolarHBondContact O-CA 3.32Å; L851-L859 PolarHBondContact N-O 3.47Å; L851-L859 PolarHBondContact O-N 3.19Å |
| 852 | A | 97 | Very high | 94.9 | Very high | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.017 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 132.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | S683 L819 R820 | S683-A852 WeakPolarHBondContact CB-O 3.22Å; L819-A852 HydrophobicContact CB-CB 4.49Å; R820-A852 HydrophobicContact CG-CB 3.76Å |
| 853 | T | 95.6 | Very high | 95 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 7% | 0.074 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | -8.6 | -177.2 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | W679 L719 L851 A857 G858 | W679-T853 HydrophobicContact CD2-CG2 4.39Å; W679-T853 HydrophobicContact CE3-CG2 3.8Å; W679-T853 HydrophobicContact CZ3-CG2 3.96Å; L719-T853 HydrophobicContact CD1-CG2 3.86Å; L719-T853 HydrophobicContact CD2-CG2 4.41Å; L851-T853 HydrophobicContact CD2-CG2 4.21Å; L851-T853 HydrophobicContact CG-CG2 4.18Å; T853-A857 PolarHBondContact N-O 3.16Å; T853-G858 WeakPolarHBondContact OG1-CA 3.27Å |
| 854 | G | 92.2 | Very high | 94.7 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 17% | 0.165 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.8 | -170.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S683 R856 A857 | S683-G854 CarbonylContact O-C 3.47Å; G854-R856 PolarHBondContact O-N 3.46Å; G854-A857 PolarHBondContact N-O 2.96Å; G854-A857 PolarHBondContact O-N 2.7Å |
| 855 | D | 90.4 | Very high | 94.6 | Very high | 72 Ų | 72 | 31.1 Ų | 31.1 | 39% | 0.385 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 112.5 | 173.6 | 175.9 | 22.9 | 0 | 0 | 0 | 110.2 | A857 | D855-A857 PolarHBondContact O-N 2.98Š|
| 856 | R | 91.6 | Very high | 94.6 | Very high | 133 Ų | 133 | 31.7 Ų | 31.7 | 50% | 0.502 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 34.5 | 178.8 | -67.9 | 169.1 | -70.7 | 173.6 | 3.6 | 113.3 | N815 G816 D817 D818 G854 | N815-R856 CarbonylContact C-O 3.11Å; N815-R856 WeakPolarHBondContact CA-O 3.28Å; G816-R856 PolarHBondContact N-O 3.37Å; D817-R856 PolarHBondContact N-O 2.63Å; D817-R856 CarbonylContact O-C 3.51Å; D817-R856 VanDerWaalsContact O-CA 3.26Å; D817-R856 WeakPolarHBondContact O-CA 3.46Å; D817-R856 VanDerWaalsContact O-O 3.13Å; D818-R856 HydrophobicContact CB-CG 4.35Å; G854-R856 PolarHBondContact O-N 3.46Å |
| 857 | A | 93.6 | Very high | 94.5 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 7% | 0.074 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 145.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 | K814 T853 G854 D855 | K814-A857 WeakPolarHBondContact O-CA 3.36Å; T853-A857 PolarHBondContact N-O 3.16Å; G854-A857 PolarHBondContact N-O 2.96Å; G854-A857 PolarHBondContact O-N 2.7Å; D855-A857 PolarHBondContact O-N 2.98Å |
| 858 | G | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.8 | -170.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K814 L851 T853 | K814-G858 PolarHBondContact N-O 3.24Å; K814-G858 PolarHBondContact O-N 3.15Å; L851-G858 CarbonylContact O-C 3.55Å; L851-G858 WeakPolarHBondContact O-CA 3.32Å; T853-G858 WeakPolarHBondContact OG1-CA 3.27Å |
| 859 | L | 98.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 147.7 | -174 | -59.5 | 178.2 | 0 | 0 | 0 | 110.9 | L719 P770 L771 I811 I812 F813 C850 L851 | L719-L859 HydrophobicContact CD2-CD1 4.07Å; L719-L859 HydrophobicContact CD2-CD2 3.82Å; L719-L859 HydrophobicContact CD2-CG 3.97Å; P770-L859 HydrophobicContact CB-CD1 3.82Å; P770-L859 HydrophobicContact CG-CD1 3.72Å; L771-L859 HydrophobicContact CD1-CB 3.93Å; L771-L859 HydrophobicContact CD2-CB 3.86Å; L771-L859 HydrophobicContact CG-CB 3.82Å; L771-L859 HydrophobicContact CG-CD1 4.29Å; I811-L859 HydrophobicContact CG2-CB 4.21Å; I811-L859 HydrophobicContact CG2-CD1 4.43Å; I811-L859 HydrophobicContact CG2-CD2 3.76Å; I811-L859 HydrophobicContact CG2-CG 4.36Å; I812-L859 CarbonylContact O-C 3.59Å; I812-L859 WeakPolarHBondContact O-CA 3.26Å; F813-L859 HydrophobicContact CB-CD2 3.93Å; F813-L859 HydrophobicContact CD2-CD2 3.71Å; F813-L859 HydrophobicContact CG-CD2 4.33Å; C850-L859 WeakPolarHBondContact CA-O 2.77Å; L851-L859 PolarHBondContact N-O 3.47Å; L851-L859 PolarHBondContact O-N 3.19Å |
| 860 | I | 97.8 | Very high | 93.6 | Very high | 24 Ų | 24 | 31.2 Ų | 31.2 | 12% | 0.123 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 131.6 | 172.1 | -62.6 | 165.7 | 0 | 0 | 0 | 107.5 | I812 K814 L819 Y848 G849 | I812-I860 HydrophobicContact CB-CB 4.13Å; I812-I860 PolarHBondContact N-O 3.3Å; I812-I860 PolarHBondContact O-N 2.84Å; K814-I860 HydrophobicContact CD-CD1 4.34Å; L819-I860 HydrophobicContact CD1-CD1 4.41Å; L819-I860 HydrophobicContact CD1-CG1 4.2Å; L819-I860 HydrophobicContact CD2-CD1 4.27Å; Y848-I860 HydrophobicContact CD2-CG2 3.88Å; Y848-I860 HydrophobicContact CE2-CG2 3.64Å; G849-I860 CarbonylContact O-C 3.51Å; G849-I860 WeakPolarHBondContact O-CA 3.38Å |
| 861 | E | 97.1 | Very high | 93.1 | Very high | 92 Ų | 92 | 34 Ų | 34 | 43% | 0.43 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 135.5 | 174.2 | -178.4 | 179.1 | -159.7 | 0 | 0 | 110.4 | L771 G849 | L771-E861 HydrophobicContact CD1-CB 4.08Å; G849-E861 PolarHBondContact N-OE2 2.75Å; G849-E861 WeakPolarHBondContact O-CB 3.26Å; G849-E861 PolarHBondContact O-N 3.31Å |
| 862 | V | 95.3 | Very high | 92.6 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 11% | 0.109 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -85.7 | 123.6 | 169.9 | 173.2 | 0 | 0 | 0 | 0 | 109.2 | W796 G810 I812 S864 | W796-V862 HydrophobicContact CD2-CG2 4.12Å; W796-V862 HydrophobicContact CE3-CG2 4.07Å; W796-V862 HydrophobicContact CH2-CB 4.21Å; W796-V862 HydrophobicContact CH2-CG1 3.31Å; W796-V862 HydrophobicContact CH2-CG2 3.79Å; W796-V862 HydrophobicContact CZ2-CB 4.23Å; W796-V862 HydrophobicContact CZ2-CG1 3.33Å; W796-V862 HydrophobicContact CZ2-CG2 3.85Å; W796-V862 HydrophobicContact CZ3-CG1 4.2Å; W796-V862 HydrophobicContact CZ3-CG2 3.9Å; G810-V862 VanDerWaalsContact C-CG2 3.46Å; G810-V862 WeakPolarHBondContact O-CB 3.47Å; G810-V862 PolarHBondContact O-N 3.16Å; I812-V862 HydrophobicContact CD1-CG2 4.02Å; I812-V862 HydrophobicContact CG1-CG2 3.74Å; V862-S864 PolarHBondContact O-N 3.12Å |
| 863 | V | 93.3 | Very high | 92 | Very high | 25 Ų | 25 | 34.2 Ų | 34.2 | 15% | 0.152 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -77.9 | 117.9 | 170.9 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | V846 Y848 A866 R937 F943 | V846-V863 HydrophobicContact CG1-CG1 4.24Å; V846-V863 HydrophobicContact CG1-CG2 4.04Å; Y848-V863 HydrophobicContact CD1-CG2 4.33Å; Y848-V863 HydrophobicContact CG-CG2 4.32Å; V863-A866 HydrophobicContact CB-CB 4.42Å; V863-A866 HydrophobicContact CG1-CB 4.24Å; V863-R937 HydrophobicContact CG1-CG 4.03Å; V863-F943 HydrophobicContact CB-CE1 4.35Å; V863-F943 HydrophobicContact CB-CE2 4.2Å; V863-F943 HydrophobicContact CB-CZ 3.71Å; V863-F943 HydrophobicContact CG1-CE1 4.04Å; V863-F943 HydrophobicContact CG1-CZ 3.92Å; V863-F943 HydrophobicContact CG2-CE2 3.88Å; V863-F943 HydrophobicContact CG2-CZ 3.91Å |
| 864 | S | 88.5 | Confident | 91.3 | Very high | 59 Ų | 59 | 37.5 Ų | 37.5 | 41% | 0.413 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 149.1 | 179.5 | -62.2 | 0 | 0 | 0 | 0 | 113 | V862 A866 | V862-S864 PolarHBondContact O-N 3.12Å; S864-A866 PolarHBondContact O-N 3.07Å |
| 865 | S | 89.4 | Confident | 90.5 | Very high | 84 Ų | 84 | 41.5 Ų | 41.5 | 59% | 0.587 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 32.7 | 177.3 | -53.4 | 0 | 0 | 0 | 0 | 114.1 | R937 S938 | S865-R937 CarbonylContact O-C 3.16Å; S865-R937 WeakPolarHBondContact O-CA 3.24Å; S865-S938 WeakPolarHBondContact CB-OG 3.49Å; S865-S938 PolarHBondContact O-N 2.91Å |
| 866 | A | 92.9 | Very high | 89.3 | Confident | 24 Ų | 24 | 40.2 Ų | 40.2 | 20% | 0.198 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 147.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V863 S864 M935 V936 R937 F943 | V863-A866 HydrophobicContact CB-CB 4.42Å; V863-A866 HydrophobicContact CG1-CB 4.24Å; S864-A866 PolarHBondContact O-N 3.07Å; A866-M935 HydrophobicContact CB-CE 3.84Å; A866-V936 WeakPolarHBondContact CA-O 3.25Å; A866-R937 HydrophobicContact CB-CG 4.12Å; A866-F943 HydrophobicContact CB-CE1 3.67Å; A866-F943 HydrophobicContact CB-CZ 3.69Å |
| 867 | D | 92.1 | Very high | 87.7 | Confident | 46 Ų | 46 | 35.2 Ų | 35.2 | 25% | 0.246 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 154.6 | 171.8 | -151.4 | -8.7 | 0 | 0 | 0 | 111.1 | N871 I872 W893 M935 V936 | D867-N871 WeakPolarHBondContact OD1-CB 3.31Å; D867-N871 PolarHBondContact OD1-ND2 3.13Å; D867-I872 HydrophobicContact CB-CD1 4.26Å; D867-I872 HydrophobicContact CB-CG1 4.01Å; D867-W893 HydrophobicContact CB-CZ2 4.36Å; D867-M935 CarbonylContact O-C 3.51Å; D867-M935 VanDerWaalsContact O-CA 3.24Å; D867-M935 WeakPolarHBondContact O-CA 3.45Å; D867-V936 PolarHBondContact N-O 3.45Å; D867-V936 PolarHBondContact O-N 3.3Å |
| 868 | T | 91.9 | Very high | 85.7 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 12% | 0.117 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 148.8 | 175.9 | 68.9 | 0 | 0 | 0 | 0 | 109.8 | A870 N871 I872 D932 M935 | T868-A870 PolarHBondContact O-N 2.71Å; T868-N871 PolarHBondContact O-N 2.77Å; T868-N871 VanDerWaalsContact O-N 3.11Å; T868-N871 WeakPolarHBondContact OG1-CB 3.38Å; T868-N871 PolarHBondContact OG1-N 2.92Å; T868-N871 VanDerWaalsContact OG1-N 3.15Å; T868-N871 PolarHBondContact OG1-ND2 3.06Å; T868-I872 WeakPolarHBondContact O-CG1 3.47Å; T868-I872 PolarHBondContact O-N 3.19Å; T868-D932 WeakPolarHBondContact CG2-O 3.28Å; T868-M935 HydrophobicContact CG2-CE 4.32Å; T868-M935 HydrophobicContact CG2-CG 3.98Å; T868-M935 HydrophobicContact CG2-SD 4.45Å |
| 869 | I | 89.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.1 | -37.5 | 175.7 | -65.3 | 170.2 | 0 | 0 | 0 | 110.6 | N871 I872 Q873 S931 I934 V936 F973 W1068 | I869-N871 PolarHBondContact O-N 3.44Å; I869-I872 PolarHBondContact O-N 2.79Å; I869-Q873 HydrophobicContact CG2-CG 4.17Å; I869-Q873 WeakPolarHBondContact O-CB 3.28Å; I869-Q873 VanDerWaalsContact O-CG 3.3Å; I869-Q873 WeakPolarHBondContact O-CG 3.48Å; I869-Q873 PolarHBondContact O-N 3.17Å; I869-S931 PolarHBondContact N-O 3.32Å; I869-I934 HydrophobicContact CD1-CB 3.75Å; I869-I934 HydrophobicContact CD1-CG2 3.44Å; I869-I934 VanDerWaalsContact CD1-CG2 3.44Å; I869-I934 HydrophobicContact CG1-CB 4.49Å; I869-I934 HydrophobicContact CG1-CG2 4.3Å; I869-I934 PolarHBondContact N-O 3.24Å; I869-V936 HydrophobicContact CG1-CG2 4.23Å; I869-F973 HydrophobicContact CD1-CE1 3.4Å; I869-F973 HydrophobicContact CD1-CZ 3.58Å; I869-W1068 HydrophobicContact CD1-CH2 4.48Å; I869-W1068 HydrophobicContact CD1-CZ3 4.24Å |
| 870 | A | 87 | Confident | 81.7 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 2% | 0.017 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58 | -46.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T868 Q873 L874 S931 | T868-A870 PolarHBondContact O-N 2.71Å; A870-Q873 PolarHBondContact O-N 3.13Å; A870-L874 WeakPolarHBondContact O-CB 3.34Å; A870-L874 VanDerWaalsContact O-CG 3.25Å; A870-L874 WeakPolarHBondContact O-CG 3.42Å; A870-L874 PolarHBondContact O-N 3.29Å; A870-S931 PolarHBondContact N-O 3.06Å |
| 871 | N | 87.1 | Confident | 79.6 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66 | -41 | 177.5 | -74.4 | -11 | 0 | 0 | 0 | 112.5 | D867 T868 I869 Q873 L874 T875 | D867-N871 WeakPolarHBondContact OD1-CB 3.31Å; D867-N871 PolarHBondContact OD1-ND2 3.13Å; T868-N871 PolarHBondContact O-N 2.77Å; T868-N871 VanDerWaalsContact O-N 3.11Å; T868-N871 WeakPolarHBondContact OG1-CB 3.38Å; T868-N871 PolarHBondContact OG1-N 2.92Å; T868-N871 VanDerWaalsContact OG1-N 3.15Å; T868-N871 PolarHBondContact OG1-ND2 3.06Å; I869-N871 PolarHBondContact O-N 3.44Å; N871-Q873 VanDerWaalsContact C-N 3.33Å; N871-Q873 PolarHBondContact O-N 3.49Å; N871-L874 PolarHBondContact O-N 3.05Å; N871-T875 PolarHBondContact O-N 3.12Å; N871-T875 PolarHBondContact O-OG1 3.49Å |
| 872 | I | 87.1 | Confident | 77.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | 177.1 | -65.1 | 168.9 | 0 | 0 | 0 | 110.8 | D867 T868 I869 T875 N876 L890 W893 V936 | D867-I872 HydrophobicContact CB-CD1 4.26Å; D867-I872 HydrophobicContact CB-CG1 4.01Å; T868-I872 WeakPolarHBondContact O-CG1 3.47Å; T868-I872 PolarHBondContact O-N 3.19Å; I869-I872 PolarHBondContact O-N 2.79Å; I872-T875 PolarHBondContact O-OG1 3.41Å; I872-N876 PolarHBondContact O-N 3.43Å; I872-L890 HydrophobicContact CD1-CD1 3.83Å; I872-L890 HydrophobicContact CG2-CD1 4.1Å; I872-W893 HydrophobicContact CD1-CD2 3.96Å; I872-W893 HydrophobicContact CD1-CE3 4.21Å; I872-W893 HydrophobicContact CD1-CG 4.36Å; I872-W893 HydrophobicContact CD1-CH2 4.46Å; I872-W893 HydrophobicContact CD1-CZ2 4.25Å; I872-W893 HydrophobicContact CD1-CZ3 4.46Å; I872-W893 HydrophobicContact CG1-CD2 4.19Å; I872-W893 HydrophobicContact CG1-CG 4.19Å; I872-W893 HydrophobicContact CG2-CB 3.6Å; I872-W893 HydrophobicContact CG2-CD2 4.37Å; I872-W893 HydrophobicContact CG2-CG 3.68Å; I872-V936 HydrophobicContact CD1-CB 4.32Å |
| 873 | Q | 83.9 | Confident | 75.9 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 177.3 | -73.3 | 173.9 | -17.8 | 0 | 0 | 112 | I869 A870 N871 S877 A889 D972 | I869-Q873 HydrophobicContact CG2-CG 4.17Å; I869-Q873 WeakPolarHBondContact O-CB 3.28Å; I869-Q873 VanDerWaalsContact O-CG 3.3Å; I869-Q873 WeakPolarHBondContact O-CG 3.48Å; I869-Q873 PolarHBondContact O-N 3.17Å; A870-Q873 PolarHBondContact O-N 3.13Å; N871-Q873 VanDerWaalsContact C-N 3.33Å; N871-Q873 PolarHBondContact O-N 3.49Å; Q873-S877 PolarHBondContact O-OG 3.19Å; Q873-A889 HydrophobicContact CG-CB 4.5Å; Q873-D972 PolarHBondContact NE2-OD2 3.06Å |
| 874 | L | 80.5 | Confident | 74.2 | Confident | 81 Ų | 81 | 50.7 Ų | 50.7 | 42% | 0.424 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 179.2 | -76.2 | 167.9 | 0 | 0 | 0 | 112.2 | A870 N871 N876 S877 A880 A883 | A870-L874 WeakPolarHBondContact O-CB 3.34Å; A870-L874 VanDerWaalsContact O-CG 3.25Å; A870-L874 WeakPolarHBondContact O-CG 3.42Å; A870-L874 PolarHBondContact O-N 3.29Å; N871-L874 PolarHBondContact O-N 3.05Å; L874-N876 VanDerWaalsContact C-N 3.3Å; L874-N876 PolarHBondContact O-N 3.27Å; L874-S877 PolarHBondContact O-N 3.13Å; L874-S877 PolarHBondContact O-OG 3.3Å; L874-A880 HydrophobicContact CD2-CB 4.17Å; L874-A883 HydrophobicContact CD2-CB 4.04Å |
| 875 | T | 75.7 | Confident | 72.8 | Confident | 100 Ų | 100 | 52.1 Ų | 52.1 | 61% | 0.613 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.8 | -29.6 | -177.1 | 41.7 | 0 | 0 | 0 | 0 | 113.4 | N871 I872 S877 | N871-T875 PolarHBondContact O-N 3.12Å; N871-T875 PolarHBondContact O-OG1 3.49Å; I872-T875 PolarHBondContact O-OG1 3.41Å; T875-S877 PolarHBondContact O-N 3.48Å |
| 876 | N | 65 | Low | 71.9 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 22.3 | 179.9 | -78.2 | -24.7 | 0 | 0 | 0 | 114.3 | I872 L874 N886 A889 | I872-N876 PolarHBondContact O-N 3.43Å; L874-N876 VanDerWaalsContact C-N 3.3Å; L874-N876 PolarHBondContact O-N 3.27Å; N876-N886 PolarHBondContact O-ND2 3.36Å; N876-A889 HydrophobicContact CB-CB 3.99Å; N876-A889 PolarHBondContact ND2-O 3.48Å; N876-A889 VanDerWaalsContact ND2-O 3.14Å |
| 877 | S | 58.8 | Low | 70.8 | Confident | 28 Ų | 28 | 52.4 Ų | 52.4 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | trans | -142.6 | 139.9 | 179.5 | 75.4 | 0 | 0 | 0 | 0 | 113.5 | Q873 L874 T875 V879 A883 | Q873-S877 PolarHBondContact O-OG 3.19Å; L874-S877 PolarHBondContact O-N 3.13Å; L874-S877 PolarHBondContact O-OG 3.3Å; T875-S877 PolarHBondContact O-N 3.48Å; S877-V879 VanDerWaalsContact C-N 3.28Å; S877-V879 PolarHBondContact O-N 3.24Å; S877-A883 VanDerWaalsContact OG-CA 3.28Å; S877-A883 WeakPolarHBondContact OG-CA 3.44Å; S877-A883 WeakPolarHBondContact OG-CB 3.38Å | ||
| 878 | N | 51.8 | Low | 70.2 | Confident | 177 Ų | 177 | 53.5 Ų | 53.5 | 95% | 0.947 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -80.1 | -6.5 | 179.1 | -67.2 | -22.4 | 0 | 0 | 0 | 113.5 | ||
| 879 | V | 56 | Low | 70 | Confident | 82 Ų | 82 | 52.6 Ų | 52.6 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | trans | -142.3 | 111.2 | -177 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | S877 A881 T882 A883 | S877-V879 VanDerWaalsContact C-N 3.28Å; S877-V879 PolarHBondContact O-N 3.24Å; V879-A881 HydrophobicContact CG1-CB 4.27Å; V879-A881 PolarHBondContact O-N 3.18Å; V879-A881 VanDerWaalsContact O-N 3.12Å; V879-T882 PolarHBondContact O-N 3.12Å; V879-T882 PolarHBondContact O-OG1 3.13Å; V879-A883 PolarHBondContact O-N 3.13Å; V879-A883 VanDerWaalsContact O-N 3.15Å | ||
| 880 | A | 54.9 | Low | 69.9 | Low | 68 Ų | 68 | 52.7 Ų | 52.7 | 56% | 0.562 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -52.8 | -35.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L874 T882 A883 | L874-A880 HydrophobicContact CD2-CB 4.17Å; A880-T882 VanDerWaalsContact C-N 3.25Å; A880-T882 PolarHBondContact O-N 3.01Å; A880-A883 WeakPolarHBondContact O-CB 3.49Å; A880-A883 PolarHBondContact O-N 3.47Å |
| 881 | A | 53.7 | Low | 70.1 | Confident | 77 Ų | 77 | 52.7 Ų | 52.7 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66.6 | -21.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | V879 | V879-A881 HydrophobicContact CG1-CB 4.27Å; V879-A881 PolarHBondContact O-N 3.18Å; V879-A881 VanDerWaalsContact O-N 3.12Å |
| 882 | T | 55.8 | Low | 70.2 | Confident | 78 Ų | 78 | 52 Ų | 52 | 48% | 0.479 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -108.6 | -8.4 | 179.7 | 61.7 | 0 | 0 | 0 | 0 | 113.8 | V879 A880 A884 F885 | V879-T882 PolarHBondContact O-N 3.12Å; V879-T882 PolarHBondContact O-OG1 3.13Å; A880-T882 VanDerWaalsContact C-N 3.25Å; A880-T882 PolarHBondContact O-N 3.01Å; T882-A884 VanDerWaalsContact C-N 3.31Å; T882-A884 PolarHBondContact O-N 3.15Å; T882-F885 WeakPolarHBondContact O-CB 3.24Å; T882-F885 PolarHBondContact O-N 2.72Å |
| 883 | A | 59 | Low | 70.4 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -49.9 | -47.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L874 S877 V879 A880 F885 N886 | L874-A883 HydrophobicContact CD2-CB 4.04Å; S877-A883 VanDerWaalsContact OG-CA 3.28Å; S877-A883 WeakPolarHBondContact OG-CA 3.44Å; S877-A883 WeakPolarHBondContact OG-CB 3.38Å; V879-A883 PolarHBondContact O-N 3.13Å; V879-A883 VanDerWaalsContact O-N 3.15Å; A880-A883 WeakPolarHBondContact O-CB 3.49Å; A880-A883 PolarHBondContact O-N 3.47Å; A883-F885 PolarHBondContact O-N 3.21Å; A883-F885 VanDerWaalsContact O-N 3.14Å; A883-N886 PolarHBondContact O-N 2.97Å |
| 884 | A | 56.5 | Low | 70.8 | Confident | 14 Ų | 14 | 52.2 Ų | 52.2 | 12% | 0.116 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T882 K1065 M1069 | T882-A884 VanDerWaalsContact C-N 3.31Å; T882-A884 PolarHBondContact O-N 3.15Å; A884-K1065 WeakPolarHBondContact O-CE 3.25Å; A884-K1065 PolarHBondContact O-NZ 2.83Å; A884-M1069 HydrophobicContact CB-CB 4.33Å; A884-M1069 HydrophobicContact CB-CG 4.37Å |
| 885 | F | 60.7 | Low | 71.3 | Confident | 89 Ų | 89 | 53 Ų | 53 | 39% | 0.39 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -13.1 | 179.2 | -69.7 | -75.9 | 0 | 0 | 0 | 114 | T882 A883 K887 W1062 K1065 M1069 | T882-F885 WeakPolarHBondContact O-CB 3.24Å; T882-F885 PolarHBondContact O-N 2.72Å; A883-F885 PolarHBondContact O-N 3.21Å; A883-F885 VanDerWaalsContact O-N 3.14Å; F885-K887 PolarHBondContact O-N 2.81Å; F885-W1062 HydrophobicContact CD1-CH2 4.24Å; F885-W1062 HydrophobicContact CE1-CH2 4.47Å; F885-K1065 PolarHBondContact O-NZ 3.31Å; F885-M1069 HydrophobicContact CE1-SD 4.4Å; F885-M1069 HydrophobicContact CE2-CG 4.45Å; F885-M1069 HydrophobicContact CE2-SD 3.35Å; F885-M1069 WeakPolarHBondContact CE2-SD 3.5Å; F885-M1069 HydrophobicContact CZ-CE 4.45Å; F885-M1069 HydrophobicContact CZ-SD 3.28Å; F885-M1069 WeakPolarHBondContact CZ-SD 3.04Å |
| 886 | N | 68.6 | Low | 72 | Confident | 51 Ų | 51 | 54.6 Ų | 54.6 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | trans | -72.1 | 95.2 | 178.9 | -173.1 | -2.4 | 0 | 0 | 0 | 110.7 | N876 A883 D888 A889 | N876-N886 PolarHBondContact O-ND2 3.36Å; A883-N886 PolarHBondContact O-N 2.97Å; N886-D888 PolarHBondContact O-N 2.89Å; N886-D888 PolarHBondContact OD1-N 2.83Å; N886-D888 VanDerWaalsContact OD1-N 3.12Å; N886-A889 HydrophobicContact CB-CB 4.04Å; N886-A889 WeakPolarHBondContact O-CB 3.44Å; N886-A889 PolarHBondContact O-N 3.39Å; N886-A889 PolarHBondContact OD1-N 2.94Å | ||
| 887 | K | 70.1 | Confident | 73.3 | Confident | 63 Ų | 63 | 59.6 Ų | 59.6 | 27% | 0.274 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -26.1 | 179 | -67.8 | 173.4 | 173.8 | -171 | 0 | 112.4 | F885 H971 H975 W1062 | F885-K887 PolarHBondContact O-N 2.81Å; K887-H971 VanDerWaalsContact CD-CE1 3.42Å; K887-H971 WeakPolarHBondContact CD-CE1 3.05Å; K887-H971 WeakPolarHBondContact CD-ND1 3.47Å; K887-H971 VanDerWaalsContact CE-CE1 3.45Å; K887-H971 WeakPolarHBondContact CE-CE1 3.44Å; K887-H971 WeakPolarHBondContact CE-ND1 3.44Å; K887-H971 PolarHBondContact NZ-CD2 2.98Å; K887-H971 PolarHBondContact NZ-CE1 2.7Å; K887-H971 PolarHBondContact NZ-NE2 2.74Å; K887-H975 PolarHBondContact O-CD2 3.1Å; K887-H975 VanDerWaalsContact O-CD2 3.22Å; K887-W1062 VanDerWaalsContact CE-CZ3 3.45Å |
| 888 | D | 81.3 | Confident | 74.8 | Confident | 69 Ų | 69 | 59.3 Ų | 59.3 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -13.7 | 180 | -64.6 | -63.2 | 0 | 0 | 0 | 113.2 | N886 L890 L891 N892 H975 | N886-D888 PolarHBondContact O-N 2.89Å; N886-D888 PolarHBondContact OD1-N 2.83Å; N886-D888 VanDerWaalsContact OD1-N 3.12Å; D888-L890 VanDerWaalsContact C-N 3.33Å; D888-L890 PolarHBondContact O-N 2.93Å; D888-L891 PolarHBondContact O-N 3.27Å; D888-N892 VanDerWaalsContact O-CB 3.27Å; D888-N892 WeakPolarHBondContact O-CB 3.35Å; D888-N892 PolarHBondContact O-N 3.38Å; D888-N892 PolarHBondContact O-ND2 2.75Å; D888-H975 IonicContact OD1-CD2 2.63Å; D888-H975 IonicContact OD1-CE1 3.85Å; D888-H975 PolarHBondContact OD1-CE1 3.22Å; D888-H975 IonicContact OD1-NE2 3.64Å; D888-H975 PolarHBondContact OD1-NE2 2.85Å |
| 889 | A | 85.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.2 | -44.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q873 N876 N886 W893 | Q873-A889 HydrophobicContact CG-CB 4.5Å; N876-A889 HydrophobicContact CB-CB 3.99Å; N876-A889 PolarHBondContact ND2-O 3.48Å; N876-A889 VanDerWaalsContact ND2-O 3.14Å; N886-A889 HydrophobicContact CB-CB 4.04Å; N886-A889 WeakPolarHBondContact O-CB 3.44Å; N886-A889 PolarHBondContact O-N 3.39Å; N886-A889 PolarHBondContact OD1-N 2.94Å; A889-W893 WeakPolarHBondContact O-CB 3.4Å; A889-W893 PolarHBondContact O-N 3.04Å |
| 890 | L | 88.5 | Confident | 78.2 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.3 | -42.3 | -178.5 | -172.5 | 60.9 | 0 | 0 | 0 | 111.9 | I872 D888 W893 L894 F910 V936 F973 V976 | I872-L890 HydrophobicContact CD1-CD1 3.83Å; I872-L890 HydrophobicContact CG2-CD1 4.1Å; D888-L890 VanDerWaalsContact C-N 3.33Å; D888-L890 PolarHBondContact O-N 2.93Å; L890-W893 PolarHBondContact O-N 3.07Å; L890-L894 PolarHBondContact O-N 2.65Å; L890-L894 VanDerWaalsContact O-N 3.15Å; L890-F910 HydrophobicContact CD2-CE2 3.92Å; L890-F910 HydrophobicContact CD2-CZ 4.03Å; L890-V936 HydrophobicContact CD1-CG2 4.13Å; L890-F973 HydrophobicContact CD2-CD1 4.25Å; L890-F973 HydrophobicContact CD2-CE1 4.36Å; L890-V976 HydrophobicContact CB-CG2 4.14Å; L890-V976 HydrophobicContact CD2-CG2 3.89Å; L890-V976 HydrophobicContact CG-CG2 3.92Å |
| 891 | L | 90.5 | Very high | 79.7 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 177.2 | -179.4 | 59.6 | 0 | 0 | 0 | 111.6 | D888 L894 K895 I907 V976 | D888-L891 PolarHBondContact O-N 3.27Å; L891-L894 PolarHBondContact O-N 3.08Å; L891-K895 HydrophobicContact CG-CD 4.3Å; L891-K895 WeakPolarHBondContact O-CG 3.43Å; L891-K895 PolarHBondContact O-N 3.23Å; L891-I907 HydrophobicContact CD1-CD1 4.3Å; L891-V976 HydrophobicContact CB-CG2 4.17Å |
| 892 | N | 90.1 | Very high | 81.3 | Confident | 57 Ų | 57 | 55.8 Ų | 55.8 | 31% | 0.305 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 176.7 | -70.6 | -14.8 | 0 | 0 | 0 | 111.3 | D888 L894 K895 E896 | D888-N892 VanDerWaalsContact O-CB 3.27Å; D888-N892 WeakPolarHBondContact O-CB 3.35Å; D888-N892 PolarHBondContact O-N 3.38Å; D888-N892 PolarHBondContact O-ND2 2.75Å; N892-L894 VanDerWaalsContact C-N 3.27Å; N892-L894 PolarHBondContact O-N 2.95Å; N892-K895 WeakPolarHBondContact O-CB 3.49Å; N892-K895 PolarHBondContact O-N 3.2Å; N892-K895 VanDerWaalsContact O-N 3.1Å; N892-E896 WeakPolarHBondContact O-CB 3.28Å; N892-E896 VanDerWaalsContact O-CG 3.32Å; N892-E896 WeakPolarHBondContact O-CG 3.47Å; N892-E896 PolarHBondContact O-N 3.27Å |
| 893 | W | 91.4 | Very high | 83 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 5% | 0.045 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.6 | -38.5 | 173.8 | -175.8 | 94 | 0 | 0 | 0 | 112.4 | D867 I872 A889 L890 R897 V936 R937 | D867-W893 HydrophobicContact CB-CZ2 4.36Å; I872-W893 HydrophobicContact CD1-CD2 3.96Å; I872-W893 HydrophobicContact CD1-CE3 4.21Å; I872-W893 HydrophobicContact CD1-CG 4.36Å; I872-W893 HydrophobicContact CD1-CH2 4.46Å; I872-W893 HydrophobicContact CD1-CZ2 4.25Å; I872-W893 HydrophobicContact CD1-CZ3 4.46Å; I872-W893 HydrophobicContact CG1-CD2 4.19Å; I872-W893 HydrophobicContact CG1-CG 4.19Å; I872-W893 HydrophobicContact CG2-CB 3.6Å; I872-W893 HydrophobicContact CG2-CD2 4.37Å; I872-W893 HydrophobicContact CG2-CG 3.68Å; A889-W893 WeakPolarHBondContact O-CB 3.4Å; A889-W893 PolarHBondContact O-N 3.04Å; L890-W893 PolarHBondContact O-N 3.07Å; W893-R897 VanDerWaalsContact CE2-NE 3.29Å; W893-R897 VanDerWaalsContact CZ2-NE 3.35Å; W893-R897 WeakPolarHBondContact O-CG 3.49Å; W893-R897 PolarHBondContact O-N 3.01Å; W893-V936 HydrophobicContact CZ3-CB 4.5Å; W893-V936 HydrophobicContact CZ3-CG1 4.04Å; W893-R937 WeakPolarHBondContact CZ3-O 3.24Å |
| 894 | L | 92.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.2 | -41.9 | 173.4 | -70.3 | 173.5 | 0 | 0 | 0 | 112.3 | L890 L891 N892 E896 R897 N898 L903 F910 V936 V976 | L890-L894 PolarHBondContact O-N 2.65Å; L890-L894 VanDerWaalsContact O-N 3.15Å; L891-L894 PolarHBondContact O-N 3.08Å; N892-L894 VanDerWaalsContact C-N 3.27Å; N892-L894 PolarHBondContact O-N 2.95Å; L894-E896 VanDerWaalsContact C-N 3.35Å; L894-R897 PolarHBondContact O-N 3.11Å; L894-N898 WeakPolarHBondContact O-CB 3.38Å; L894-N898 PolarHBondContact O-N 3.34Å; L894-N898 PolarHBondContact O-ND2 3.47Å; L894-L903 HydrophobicContact CB-CD1 4.32Å; L894-F910 HydrophobicContact CD1-CD2 4.45Å; L894-V936 HydrophobicContact CD2-CG1 4.31Å; L894-V976 HydrophobicContact CD1-CG1 3.82Å |
| 895 | K | 91.1 | Very high | 86 | Confident | 98 Ų | 98 | 62.2 Ų | 62.2 | 43% | 0.426 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.5 | -36.3 | 176.5 | -74.1 | 171 | 176.5 | 174.1 | 0 | 113.2 | L891 N892 R897 L903 | L891-K895 HydrophobicContact CG-CD 4.3Å; L891-K895 WeakPolarHBondContact O-CG 3.43Å; L891-K895 PolarHBondContact O-N 3.23Å; N892-K895 WeakPolarHBondContact O-CB 3.49Å; N892-K895 PolarHBondContact O-N 3.2Å; N892-K895 VanDerWaalsContact O-N 3.1Å; K895-R897 PolarHBondContact O-N 2.94Å; K895-L903 HydrophobicContact CG-CD1 3.95Å; K895-L903 HydrophobicContact CG-CD2 3.7Å; K895-L903 HydrophobicContact CG-CG 4.5Å |
| 896 | E | 90.9 | Very high | 87.6 | Confident | 133 Ų | 133 | 58.1 Ų | 58.1 | 62% | 0.621 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.3 | -26.5 | 177.6 | -76 | 168.6 | -167.3 | 0 | 0 | 112.2 | N892 L894 | N892-E896 WeakPolarHBondContact O-CB 3.28Å; N892-E896 VanDerWaalsContact O-CG 3.32Å; N892-E896 WeakPolarHBondContact O-CG 3.47Å; N892-E896 PolarHBondContact O-N 3.27Å; L894-E896 VanDerWaalsContact C-N 3.35Å |
| 897 | R | 91.2 | Very high | 88.8 | Confident | 149 Ų | 149 | 55.9 Ų | 55.9 | 56% | 0.562 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -101.4 | -18.1 | -176.2 | -64.6 | -173.4 | 172.2 | -66.1 | -1 | 113.9 | W893 L894 K895 | W893-R897 VanDerWaalsContact CE2-NE 3.29Å; W893-R897 VanDerWaalsContact CZ2-NE 3.35Å; W893-R897 WeakPolarHBondContact O-CG 3.49Å; W893-R897 PolarHBondContact O-N 3.01Å; L894-R897 PolarHBondContact O-N 3.11Å; K895-R897 PolarHBondContact O-N 2.94Å |
| 898 | N | 91.3 | Very high | 89.8 | Confident | 22 Ų | 22 | 55 Ų | 55 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | trans | -136 | 127.5 | -175 | -55.7 | -83.2 | 0 | 0 | 0 | 109.7 | L894 A902 L903 A906 S938 | L894-N898 WeakPolarHBondContact O-CB 3.38Å; L894-N898 PolarHBondContact O-N 3.34Å; L894-N898 PolarHBondContact O-ND2 3.47Å; N898-A902 HydrophobicContact CB-CB 4.24Å; N898-L903 HydrophobicContact CB-CB 4.22Å; N898-L903 HydrophobicContact CB-CD1 4.35Å; N898-A906 HydrophobicContact CB-CB 4.25Å; N898-S938 PolarHBondContact ND2-O 3.39Å; N898-S938 PolarHBondContact OD1-O 2.84Å | ||
| 899 | S | 87.9 | Confident | 90.4 | Very high | 102 Ų | 102 | 52.8 Ų | 52.8 | 71% | 0.713 | 28% | 0.276 | S | S | * | . | trans | -121.2 | 150.2 | -179.5 | 58.3 | 0 | 0 | 0 | 0 | 112 | D901 A902 | S899-D901 PolarHBondContact O-N 3.3Å; S899-A902 WeakPolarHBondContact O-CB 3.41Å; S899-A902 PolarHBondContact O-N 3.46Å | ||
| 900 | G | 89.6 | Confident | 90.9 | Very high | 58 Ų | 58 | 52.8 Ų | 52.8 | 60% | 0.598 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | -135.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A902 L903 | G900-A902 PolarHBondContact O-N 2.66Å; G900-A902 VanDerWaalsContact O-N 3.08Å; G900-L903 WeakPolarHBondContact O-CB 3.47Å; G900-L903 PolarHBondContact O-N 3.13Å |
| 901 | D | 86.4 | Confident | 91.3 | Very high | 146 Ų | 146 | 52.7 Ų | 52.7 | 78% | 0.781 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -56.5 | -25.3 | 179.6 | -56.8 | -10 | 0 | 0 | 0 | 113.7 | S899 L903 D904 R905 | S899-D901 PolarHBondContact O-N 3.3Å; D901-L903 VanDerWaalsContact C-N 3.28Å; D901-L903 PolarHBondContact O-N 2.97Å; D901-D904 PolarHBondContact O-N 3.32Å; D901-R905 PolarHBondContact O-N 3.5Å |
| 902 | A | 87.6 | Confident | 91.5 | Very high | 25 Ų | 25 | 53.4 Ų | 53.4 | 21% | 0.207 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.3 | -30.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N898 S899 G900 A906 | N898-A902 HydrophobicContact CB-CB 4.24Å; S899-A902 WeakPolarHBondContact O-CB 3.41Å; S899-A902 PolarHBondContact O-N 3.46Å; G900-A902 PolarHBondContact O-N 2.66Å; G900-A902 VanDerWaalsContact O-N 3.08Å; A902-A906 WeakPolarHBondContact O-CB 3.49Å; A902-A906 PolarHBondContact O-N 3.46Å |
| 903 | L | 91.3 | Very high | 91.8 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 16% | 0.162 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.6 | -44.1 | 176.7 | 179.3 | 61.3 | 0 | 0 | 0 | 111.3 | L894 K895 N898 G900 D901 R905 A906 I907 | L894-L903 HydrophobicContact CB-CD1 4.32Å; K895-L903 HydrophobicContact CG-CD1 3.95Å; K895-L903 HydrophobicContact CG-CD2 3.7Å; K895-L903 HydrophobicContact CG-CG 4.5Å; N898-L903 HydrophobicContact CB-CB 4.22Å; N898-L903 HydrophobicContact CB-CD1 4.35Å; G900-L903 WeakPolarHBondContact O-CB 3.47Å; G900-L903 PolarHBondContact O-N 3.13Å; D901-L903 VanDerWaalsContact C-N 3.28Å; D901-L903 PolarHBondContact O-N 2.97Å; L903-R905 VanDerWaalsContact C-N 3.29Å; L903-R905 PolarHBondContact O-N 3.39Å; L903-A906 PolarHBondContact O-N 3.49Å; L903-A906 VanDerWaalsContact O-N 3.12Å; L903-I907 HydrophobicContact CD1-CD1 4.07Å; L903-I907 HydrophobicContact CD1-CG1 4.27Å; L903-I907 HydrophobicContact CG-CD1 3.93Å; L903-I907 WeakPolarHBondContact O-CG1 3.46Å; L903-I907 PolarHBondContact O-N 2.97Å |
| 904 | D | 90 | Very high | 92.1 | Very high | 89 Ų | 89 | 50.1 Ų | 50.1 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 177.6 | -73.1 | -42.3 | 0 | 0 | 0 | 111.1 | D901 I907 E908 Q979 | D901-D904 PolarHBondContact O-N 3.32Å; D904-I907 PolarHBondContact O-N 3.45Å; D904-E908 PolarHBondContact O-N 3.29Å; D904-Q979 PolarHBondContact OD1-NE2 3.03Å |
| 905 | R | 89.8 | Confident | 92.3 | Very high | 109 Ų | 109 | 50.1 Ų | 50.1 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 171.5 | 179.3 | 172.5 | 48 | 153.9 | -2.2 | 111.9 | D901 L903 I907 E908 E909 | D901-R905 PolarHBondContact O-N 3.5Å; L903-R905 VanDerWaalsContact C-N 3.29Å; L903-R905 PolarHBondContact O-N 3.39Å; R905-I907 VanDerWaalsContact C-N 3.3Å; R905-I907 PolarHBondContact O-N 3.15Å; R905-E908 WeakPolarHBondContact O-CB 3.42Å; R905-E908 PolarHBondContact O-N 3.15Å; R905-E908 VanDerWaalsContact O-N 3.15Å; R905-E909 HydrophobicContact CG-CG 4.34Å; R905-E909 WeakPolarHBondContact O-CG 3.37Å; R905-E909 PolarHBondContact O-N 2.91Å |
| 906 | A | 92.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -36.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | N898 A902 L903 F910 T939 G940 | N898-A906 HydrophobicContact CB-CB 4.25Å; A902-A906 WeakPolarHBondContact O-CB 3.49Å; A902-A906 PolarHBondContact O-N 3.46Å; L903-A906 PolarHBondContact O-N 3.49Å; L903-A906 VanDerWaalsContact O-N 3.12Å; A906-F910 WeakPolarHBondContact O-CB 3.33Å; A906-F910 PolarHBondContact O-N 2.96Å; A906-T939 VanDerWaalsContact CA-O 3.29Å; A906-T939 WeakPolarHBondContact CA-O 3.42Å; A906-G940 WeakPolarHBondContact O-CA 3.48Å |
| 907 | I | 93.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.9 | -37 | 174.7 | -65.9 | 169 | 0 | 0 | 0 | 110.9 | L891 L903 D904 R905 F910 T911 Q979 | L891-I907 HydrophobicContact CD1-CD1 4.3Å; L903-I907 HydrophobicContact CD1-CD1 4.07Å; L903-I907 HydrophobicContact CD1-CG1 4.27Å; L903-I907 HydrophobicContact CG-CD1 3.93Å; L903-I907 WeakPolarHBondContact O-CG1 3.46Å; L903-I907 PolarHBondContact O-N 2.97Å; D904-I907 PolarHBondContact O-N 3.45Å; R905-I907 VanDerWaalsContact C-N 3.3Å; R905-I907 PolarHBondContact O-N 3.15Å; I907-F910 WeakPolarHBondContact O-CB 3.46Å; I907-F910 PolarHBondContact O-N 3.43Å; I907-T911 WeakPolarHBondContact O-CB 3.31Å; I907-T911 PolarHBondContact O-N 2.85Å; I907-T911 PolarHBondContact O-OG1 2.88Å; I907-Q979 HydrophobicContact CD1-CG 4.04Å; I907-Q979 HydrophobicContact CG2-CG 4.22Å |
| 908 | E | 93.1 | Very high | 92.9 | Very high | 43 Ų | 43 | 32.3 Ų | 32.3 | 20% | 0.201 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.1 | -47.4 | 174.5 | -167.9 | 65.9 | -155.6 | 0 | 0 | 111.6 | D904 R905 F910 T911 L912 K987 Y994 | D904-E908 PolarHBondContact O-N 3.29Å; R905-E908 WeakPolarHBondContact O-CB 3.42Å; R905-E908 PolarHBondContact O-N 3.15Å; R905-E908 VanDerWaalsContact O-N 3.15Å; E908-F910 VanDerWaalsContact C-N 3.27Å; E908-F910 PolarHBondContact O-N 3.29Å; E908-T911 PolarHBondContact O-N 2.85Å; E908-L912 HydrophobicContact CG-CD1 4.08Å; E908-L912 WeakPolarHBondContact O-CG 3.46Å; E908-L912 PolarHBondContact O-N 2.9Å; E908-K987 IonicContact OE2-NZ 3.57Å; E908-K987 PolarHBondContact OE2-NZ 3.3Å; E908-Y994 PolarHBondContact OE1-OH 2.69Å |
| 909 | E | 93.4 | Very high | 93.1 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.7 | -43.3 | 173.5 | -70.6 | -65.6 | 145.4 | 0 | 0 | 111.2 | R844 R905 S913 Q941 | R844-E909 VanDerWaalsContact CD-OE2 3.32Å; R844-E909 WeakPolarHBondContact CD-OE2 3.32Å; R844-E909 VanDerWaalsContact CG-OE2 3.23Å; R844-E909 WeakPolarHBondContact CG-OE2 3.47Å; R844-E909 IonicContact NE-OE1 2.81Å; R844-E909 IonicContact NE-OE2 3.66Å; R905-E909 HydrophobicContact CG-CG 4.34Å; R905-E909 WeakPolarHBondContact O-CG 3.37Å; R905-E909 PolarHBondContact O-N 2.91Å; E909-S913 VanDerWaalsContact O-CB 3.3Å; E909-S913 WeakPolarHBondContact O-CB 3.49Å; E909-S913 PolarHBondContact O-N 3.26Å; E909-S913 PolarHBondContact O-OG 3.12Å; E909-Q941 HydrophobicContact CB-CG 3.93Å; E909-Q941 HydrophobicContact CG-CG 4.38Å; E909-Q941 VanDerWaalsContact OE2-CG 3.3Å; E909-Q941 WeakPolarHBondContact OE2-CG 3.06Å; E909-Q941 PolarHBondContact OE2-NE2 2.94Å |
| 910 | F | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 174 | -175.2 | -85.9 | 0 | 0 | 0 | 111.8 | L890 L894 A906 I907 E908 S913 C914 V936 G940 L942 F973 V976 I977 | L890-F910 HydrophobicContact CD2-CE2 3.92Å; L890-F910 HydrophobicContact CD2-CZ 4.03Å; L894-F910 HydrophobicContact CD1-CD2 4.45Å; A906-F910 WeakPolarHBondContact O-CB 3.33Å; A906-F910 PolarHBondContact O-N 2.96Å; I907-F910 WeakPolarHBondContact O-CB 3.46Å; I907-F910 PolarHBondContact O-N 3.43Å; E908-F910 VanDerWaalsContact C-N 3.27Å; E908-F910 PolarHBondContact O-N 3.29Å; F910-S913 PolarHBondContact O-OG 2.94Å; F910-C914 HydrophobicContact CD1-CB 4.5Å; F910-C914 HydrophobicContact CE1-CB 4.33Å; F910-C914 WeakPolarHBondContact O-CB 3.48Å; F910-C914 PolarHBondContact O-N 2.69Å; F910-V936 HydrophobicContact CD2-CG1 4.27Å; F910-V936 HydrophobicContact CE2-CG2 4.13Å; F910-G940 WeakPolarHBondContact CA-O 3.25Å; F910-G940 WeakPolarHBondContact CB-O 3.47Å; F910-G940 WeakPolarHBondContact CD2-O 3.4Å; F910-G940 PolarHBondContact N-O 2.99Å; F910-L942 HydrophobicContact CD2-CB 4.28Å; F910-L942 HydrophobicContact CE2-CB 4.23Å; F910-L942 HydrophobicContact CE2-CD1 3.71Å; F910-L942 HydrophobicContact CZ-CD1 3.81Å; F910-F973 HydrophobicContact CE1-CB 4.21Å; F910-F973 HydrophobicContact CE1-CD1 4.5Å; F910-F973 HydrophobicContact CZ-CB 4.23Å; F910-F973 AromaticContact CZ-CD1 3.7Å; F910-F973 HydrophobicContact CZ-CD1 3.7Å; F910-F973 HydrophobicContact CZ-CE1 4.33Å; F910-F973 HydrophobicContact CZ-CG 4.17Å; F910-V976 HydrophobicContact CB-CG1 4.35Å; F910-V976 HydrophobicContact CD1-CB 4.04Å; F910-V976 HydrophobicContact CD1-CG1 3.48Å; F910-V976 VanDerWaalsContact CD1-CG1 3.48Å; F910-V976 HydrophobicContact CD2-CG1 4.2Å; F910-V976 HydrophobicContact CE1-CB 3.78Å; F910-V976 HydrophobicContact CE1-CG1 3.75Å; F910-V976 HydrophobicContact CE2-CG1 4.42Å; F910-V976 HydrophobicContact CG-CG1 3.73Å; F910-V976 HydrophobicContact CZ-CB 4.17Å; F910-V976 HydrophobicContact CZ-CG1 4.22Å; F910-V976 HydrophobicContact CZ-CG2 4.41Å; F910-I977 HydrophobicContact CD1-CG1 4.14Å; F910-I977 HydrophobicContact CE1-CG1 4.17Å |
| 911 | T | 95.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.9 | -46.7 | -176.8 | -58 | 0 | 0 | 0 | 0 | 111.5 | I907 E908 A915 I977 F991 | I907-T911 WeakPolarHBondContact O-CB 3.31Å; I907-T911 PolarHBondContact O-N 2.85Å; I907-T911 PolarHBondContact O-OG1 2.88Å; E908-T911 PolarHBondContact O-N 2.85Å; T911-A915 WeakPolarHBondContact O-CB 3.29Å; T911-A915 PolarHBondContact O-N 2.78Å; T911-I977 HydrophobicContact CG2-CG1 4.33Å; T911-I977 HydrophobicContact CG2-CG2 4.17Å; T911-F991 HydrophobicContact CG2-CB 3.87Å; T911-F991 HydrophobicContact CG2-CD2 3.95Å; T911-F991 HydrophobicContact CG2-CG 4.37Å |
| 912 | L | 96.1 | Very high | 94 | Very high | 16 Ų | 16 | 17.1 Ų | 17.1 | 8% | 0.084 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65 | -50.4 | 179.2 | -71 | 168.5 | 0 | 0 | 0 | 111.8 | L843 R844 E908 C914 A915 G916 Y994 | L843-L912 HydrophobicContact CD2-CD2 4.2Å; L843-L912 CarbonylContact O-C 3.59Å; L843-L912 VanDerWaalsContact O-C 3.28Å; R844-L912 HydrophobicContact CG-CB 3.86Å; R844-L912 HydrophobicContact CG-CD1 3.97Å; E908-L912 HydrophobicContact CG-CD1 4.08Å; E908-L912 WeakPolarHBondContact O-CG 3.46Å; E908-L912 PolarHBondContact O-N 2.9Å; L912-C914 PolarHBondContact O-N 3.36Å; L912-A915 WeakPolarHBondContact O-CB 3.45Å; L912-A915 PolarHBondContact O-N 3.26Å; L912-G916 PolarHBondContact O-N 3.46Å; L912-Y994 HydrophobicContact CD2-CD1 4.45Å; L912-Y994 HydrophobicContact CD2-CD2 3.82Å; L912-Y994 HydrophobicContact CD2-CE1 4.28Å; L912-Y994 HydrophobicContact CD2-CE2 3.6Å; L912-Y994 HydrophobicContact CD2-CG 4.24Å; L912-Y994 HydrophobicContact CG-CE2 4.42Å |
| 913 | S | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64 | -39.5 | 177.8 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | L843 E909 F910 A915 G916 Y917 L942 | L843-S913 WeakPolarHBondContact O-CA 3.13Å; L843-S913 PolarHBondContact O-N 3.16Å; E909-S913 VanDerWaalsContact O-CB 3.3Å; E909-S913 WeakPolarHBondContact O-CB 3.49Å; E909-S913 PolarHBondContact O-N 3.26Å; E909-S913 PolarHBondContact O-OG 3.12Å; F910-S913 PolarHBondContact O-OG 2.94Å; S913-A915 PolarHBondContact O-N 3.12Å; S913-G916 PolarHBondContact O-N 3.43Å; S913-Y917 WeakPolarHBondContact O-CD2 3.29Å; S913-Y917 PolarHBondContact O-N 2.8Å; S913-L942 WeakPolarHBondContact CB-O 3.3Å; S913-L942 PolarHBondContact OG-N 3.24Å |
| 914 | C | 96.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.007 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 173.4 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | F910 L912 G916 Y917 C918 F991 | F910-C914 HydrophobicContact CD1-CB 4.5Å; F910-C914 HydrophobicContact CE1-CB 4.33Å; F910-C914 WeakPolarHBondContact O-CB 3.48Å; F910-C914 PolarHBondContact O-N 2.69Å; L912-C914 PolarHBondContact O-N 3.36Å; C914-G916 PolarHBondContact O-N 2.71Å; C914-Y917 PolarHBondContact O-N 3Å; C914-C918 VanDerWaalsContact O-CB 3.26Å; C914-C918 WeakPolarHBondContact O-CB 3.48Å; C914-C918 PolarHBondContact O-N 3.24Å; C914-C918 PolarHBondContact O-SG 3Å; C914-F991 HydrophobicContact CB-CE2 4.18Å |
| 915 | A | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.5 | -47.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | T911 L912 S913 C918 V919 F991 | T911-A915 WeakPolarHBondContact O-CB 3.29Å; T911-A915 PolarHBondContact O-N 2.78Å; L912-A915 WeakPolarHBondContact O-CB 3.45Å; L912-A915 PolarHBondContact O-N 3.26Å; S913-A915 PolarHBondContact O-N 3.12Å; A915-C918 PolarHBondContact O-N 2.73Å; A915-V919 WeakPolarHBondContact O-CG2 2.75Å; A915-V919 PolarHBondContact O-N 3.19Å; A915-V919 VanDerWaalsContact O-N 3.08Å; A915-F991 HydrophobicContact CB-CD2 3.93Å; A915-F991 HydrophobicContact CB-CE2 3.83Å |
| 916 | G | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -60.9 | -48.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | W836 L912 S913 C914 V919 A920 | W836-G916 WeakPolarHBondContact CH2-O 3.23Å; L912-G916 PolarHBondContact O-N 3.46Å; S913-G916 PolarHBondContact O-N 3.43Å; C914-G916 PolarHBondContact O-N 2.71Å; G916-V919 PolarHBondContact O-N 3.42Å; G916-A920 WeakPolarHBondContact O-CB 3.25Å; G916-A920 PolarHBondContact O-N 3.01Å |
| 917 | Y | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 5.3 Ų | 5.3 | 0% | 0.004 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -68.3 | -33.8 | 177.2 | -83.2 | -79.1 | 0 | 0 | 0 | 113.1 | L829 I845 V846 S913 C914 T921 L942 F943 H944 | L829-Y917 HydrophobicContact CD1-CE1 4.09Å; L829-Y917 HydrophobicContact CD2-CE1 4.38Å; I845-Y917 HydrophobicContact CD1-CD2 3.97Å; I845-Y917 HydrophobicContact CD1-CE2 3.95Å; I845-Y917 HydrophobicContact CG2-CE2 4.25Å; V846-Y917 PolarHBondContact N-OH 3.43Å; V846-Y917 PolarHBondContact O-OH 3.3Å; S913-Y917 WeakPolarHBondContact O-CD2 3.29Å; S913-Y917 PolarHBondContact O-N 2.8Å; C914-Y917 PolarHBondContact O-N 3Å; Y917-T921 VanDerWaalsContact O-CB 3.31Å; Y917-T921 WeakPolarHBondContact O-CB 3.42Å; Y917-T921 VanDerWaalsContact O-CG2 3.23Å; Y917-T921 WeakPolarHBondContact O-CG2 3.48Å; Y917-T921 PolarHBondContact O-N 3.15Å; Y917-T921 PolarHBondContact O-OG1 2.71Å; Y917-L942 HydrophobicContact CD2-CD2 4.25Å; Y917-L942 VanDerWaalsContact CD2-O 3.27Å; Y917-L942 WeakPolarHBondContact CD2-O 3.36Å; Y917-L942 WeakPolarHBondContact CE2-O 3.34Å; Y917-L942 HydrophobicContact CG-CD2 4.39Å; Y917-F943 HydrophobicContact CE1-CB 4.44Å; Y917-F943 VanDerWaalsContact CE2-CA 3.47Å; Y917-F943 HydrophobicContact CE2-CB 3.64Å; Y917-F943 WeakPolarHBondContact OH-CB 3.35Å; Y917-H944 HydrophobicContact CD1-CB 3.91Å; Y917-H944 AromaticContact CD1-CD2 3.6Å; Y917-H944 AromaticContact CD1-CG 3.85Å; Y917-H944 HydrophobicContact CE1-CB 4.03Å; Y917-H944 AromaticContact CG-CD2 3.7Å |
| 918 | C | 93.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 6 Ų | 6 | 3% | 0.027 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -60.6 | -44.8 | 173.9 | -78.6 | 0 | 0 | 0 | 0 | 111.4 | C914 A915 T921 Y922 F967 I968 | C914-C918 VanDerWaalsContact O-CB 3.26Å; C914-C918 WeakPolarHBondContact O-CB 3.48Å; C914-C918 PolarHBondContact O-N 3.24Å; C914-C918 PolarHBondContact O-SG 3Å; A915-C918 PolarHBondContact O-N 2.73Å; C918-T921 PolarHBondContact O-OG1 3.12Å; C918-Y922 WeakPolarHBondContact O-CB 2.97Å; C918-Y922 PolarHBondContact O-N 2.93Å; C918-F967 HydrophobicContact CB-CE1 4.3Å; C918-F967 HydrophobicContact CB-CE2 3.72Å; C918-F967 HydrophobicContact CB-CZ 3.59Å; C918-I968 PolarHBondContact SG-O 3.41Å; C918-I968 VanDerWaalsContact SG-O 3.34Å |
| 919 | V | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -70 | -47.5 | 177.1 | 175 | 0 | 0 | 0 | 0 | 111.2 | W836 A915 G916 T921 Y922 V923 C995 A998 L1002 F1050 | W836-V919 HydrophobicContact CZ2-CB 4.44Å; W836-V919 HydrophobicContact CZ2-CG1 4.16Å; A915-V919 WeakPolarHBondContact O-CG2 2.75Å; A915-V919 PolarHBondContact O-N 3.19Å; A915-V919 VanDerWaalsContact O-N 3.08Å; G916-V919 PolarHBondContact O-N 3.42Å; V919-T921 PolarHBondContact O-N 3.01Å; V919-Y922 PolarHBondContact O-N 3.24Å; V919-V923 HydrophobicContact CG1-CG2 4.24Å; V919-V923 WeakPolarHBondContact O-CG2 3.49Å; V919-V923 PolarHBondContact O-N 2.83Å; V919-C995 HydrophobicContact CG2-CB 4.02Å; V919-C995 WeakPolarHBondContact CG2-O 3.23Å; V919-A998 HydrophobicContact CB-CB 4.39Å; V919-A998 HydrophobicContact CG1-CB 4.3Å; V919-A998 HydrophobicContact CG2-CB 4.09Å; V919-L1002 HydrophobicContact CG1-CD1 3.94Å; V919-F1050 HydrophobicContact CG2-CZ 4Å |
| 920 | A | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -61.4 | -45.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L829 M832 W836 G916 Y922 V923 L924 | L829-A920 HydrophobicContact CD2-CB 3.48Å; L829-A920 VanDerWaalsContact CD2-CB 3.48Å; M832-A920 HydrophobicContact SD-CB 3.6Å; M832-A920 VanDerWaalsContact SD-CB 3.6Å; W836-A920 HydrophobicContact CH2-CB 4.23Å; G916-A920 WeakPolarHBondContact O-CB 3.25Å; G916-A920 PolarHBondContact O-N 3.01Å; A920-Y922 VanDerWaalsContact C-N 3.33Å; A920-Y922 PolarHBondContact O-N 2.58Å; A920-V923 PolarHBondContact O-N 3.42Å; A920-L924 VanDerWaalsContact O-CB 3.32Å; A920-L924 WeakPolarHBondContact O-CB 3.37Å; A920-L924 WeakPolarHBondContact O-CG 3.4Å; A920-L924 PolarHBondContact O-N 2.91Å |
| 921 | T | 93.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 3.9 Ų | 3.9 | 1% | 0.006 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -66.7 | -34.9 | 179 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | Y917 C918 V919 G925 I926 | Y917-T921 VanDerWaalsContact O-CB 3.31Å; Y917-T921 WeakPolarHBondContact O-CB 3.42Å; Y917-T921 VanDerWaalsContact O-CG2 3.23Å; Y917-T921 WeakPolarHBondContact O-CG2 3.48Å; Y917-T921 PolarHBondContact O-N 3.15Å; Y917-T921 PolarHBondContact O-OG1 2.71Å; C918-T921 PolarHBondContact O-OG1 3.12Å; V919-T921 PolarHBondContact O-N 3.01Å; T921-G925 WeakPolarHBondContact O-CA 3.2Å; T921-G925 PolarHBondContact O-N 3.16Å; T921-I926 HydrophobicContact CG2-CB 4.14Å; T921-I926 HydrophobicContact CG2-CD1 4.02Å; T921-I926 PolarHBondContact O-N 3.18Å |
| 922 | Y | 92.9 | Very high | 91.7 | Very high | 9 Ų | 9 | 5 Ų | 5 | 4% | 0.035 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -65 | -51.9 | 172.5 | 169.1 | -109.7 | 0 | 0 | 0 | 111.9 | C918 V919 A920 L924 G925 P966 Y999 S1036 F1050 | C918-Y922 WeakPolarHBondContact O-CB 2.97Å; C918-Y922 PolarHBondContact O-N 2.93Å; V919-Y922 PolarHBondContact O-N 3.24Å; A920-Y922 VanDerWaalsContact C-N 3.33Å; A920-Y922 PolarHBondContact O-N 2.58Å; Y922-L924 PolarHBondContact O-N 3.02Å; Y922-G925 PolarHBondContact O-N 3.05Å; Y922-P966 HydrophobicContact CD2-CB 3.87Å; Y922-P966 HydrophobicContact CD2-CG 3.95Å; Y922-P966 HydrophobicContact CE2-CB 4.12Å; Y922-P966 HydrophobicContact CE2-CG 3.83Å; Y922-Y999 HydrophobicContact CD1-CE2 4.46Å; Y922-Y999 HydrophobicContact CE1-CD2 4.36Å; Y922-Y999 AromaticContact CE1-CE2 3.89Å; Y922-Y999 HydrophobicContact CE1-CE2 3.89Å; Y922-S1036 PolarHBondContact OH-O 3.02Å; Y922-F1050 HydrophobicContact CD1-CD2 4.1Å; Y922-F1050 AromaticContact CD1-CE2 3.93Å; Y922-F1050 HydrophobicContact CD1-CE2 3.93Å; Y922-F1050 AromaticContact CE1-CD2 3.85Å; Y922-F1050 HydrophobicContact CE1-CD2 3.85Å; Y922-F1050 HydrophobicContact CE1-CE2 4.18Å |
| 923 | V | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -61.6 | -46.4 | -177.4 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | M832 V919 A920 G925 Y999 L1002 L1033 S1036 L1037 | M832-V923 HydrophobicContact CE-CB 4.32Å; M832-V923 HydrophobicContact CE-CG1 3.93Å; V919-V923 HydrophobicContact CG1-CG2 4.24Å; V919-V923 WeakPolarHBondContact O-CG2 3.49Å; V919-V923 PolarHBondContact O-N 2.83Å; A920-V923 PolarHBondContact O-N 3.42Å; V923-G925 VanDerWaalsContact C-N 3.3Å; V923-G925 PolarHBondContact O-N 3.12Å; V923-Y999 HydrophobicContact CG2-CD2 4.26Å; V923-Y999 HydrophobicContact CG2-CE2 4.48Å; V923-L1002 HydrophobicContact CB-CD1 4.43Å; V923-L1002 HydrophobicContact CG1-CD1 4.47Å; V923-L1002 HydrophobicContact CG2-CD1 4.07Å; V923-L1033 HydrophobicContact CG1-CD2 4.38Å; V923-L1033 WeakPolarHBondContact O-CD2 3.34Å; V923-S1036 PolarHBondContact O-OG 3.24Å; V923-L1037 HydrophobicContact CB-CD2 4.45Å; V923-L1037 HydrophobicContact CG1-CD1 4.33Å; V923-L1037 HydrophobicContact CG1-CD2 3.8Å; V923-L1037 HydrophobicContact CG1-CG 4Å; V923-L1037 HydrophobicContact CG2-CD2 3.75Å |
| 924 | L | 93.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 5 Ų | 5 | 2% | 0.016 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -81.4 | -7.1 | -179.1 | -62 | 174.6 | 0 | 0 | 0 | 113.8 | T825 I828 M832 A920 Y922 I926 L951 F1013 L1033 | T825-L924 HydrophobicContact CG2-CD1 4.34Å; I828-L924 HydrophobicContact CG2-CD1 4.01Å; I828-L924 HydrophobicContact CG2-CD2 3.67Å; I828-L924 HydrophobicContact CG2-CG 4.43Å; M832-L924 HydrophobicContact CE-CD1 3.91Å; M832-L924 HydrophobicContact CE-CD2 3.78Å; M832-L924 HydrophobicContact CE-CG 3.66Å; M832-L924 HydrophobicContact SD-CD1 4.3Å; A920-L924 VanDerWaalsContact O-CB 3.32Å; A920-L924 WeakPolarHBondContact O-CB 3.37Å; A920-L924 WeakPolarHBondContact O-CG 3.4Å; A920-L924 PolarHBondContact O-N 2.91Å; Y922-L924 PolarHBondContact O-N 3.02Å; L924-I926 VanDerWaalsContact C-N 3.32Å; L924-I926 HydrophobicContact CB-CD1 4.04Å; L924-I926 HydrophobicContact CB-CG1 3.81Å; L924-I926 HydrophobicContact CD1-CD1 4.01Å; L924-I926 PolarHBondContact O-N 2.85Å; L924-L951 WeakPolarHBondContact O-CA 3.39Å; L924-L951 PolarHBondContact O-N 3.06Å; L924-F1013 HydrophobicContact CD2-CE2 4.06Å; L924-F1013 HydrophobicContact CD2-CZ 3.94Å; L924-L1033 HydrophobicContact CD2-CD2 4.07Å |
| 925 | G | 91.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.01 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 41 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T921 Y922 V923 G927 I950 L951 G952 Y1032 | T921-G925 WeakPolarHBondContact O-CA 3.2Å; T921-G925 PolarHBondContact O-N 3.16Å; Y922-G925 PolarHBondContact O-N 3.05Å; V923-G925 VanDerWaalsContact C-N 3.3Å; V923-G925 PolarHBondContact O-N 3.12Å; G925-G927 PolarHBondContact O-N 3.29Å; G925-I950 CarbonylContact O-C 3.59Å; G925-L951 PolarHBondContact O-N 3.13Å; G925-G952 PolarHBondContact O-N 3.4Å; G925-G952 VanDerWaalsContact O-N 3.17Å; G925-Y1032 VanDerWaalsContact CA-CZ 3.48Å; G925-Y1032 VanDerWaalsContact CA-OH 3.24Å; G925-Y1032 WeakPolarHBondContact CA-OH 3.37Å |
| 926 | I | 90.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 6.3 Ų | 6.3 | 2% | 0.021 | 3% | 0.032 | C | C | . | . | trans | -72.5 | 118.3 | -177.9 | -63 | 170.1 | 0 | 0 | 0 | 109.1 | T825 T921 L924 R929 F947 H949 I950 | T825-I926 HydrophobicContact CG2-CD1 3.71Å; T825-I926 HydrophobicContact CG2-CG1 4.4Å; T921-I926 HydrophobicContact CG2-CB 4.14Å; T921-I926 HydrophobicContact CG2-CD1 4.02Å; T921-I926 PolarHBondContact O-N 3.18Å; L924-I926 VanDerWaalsContact C-N 3.32Å; L924-I926 HydrophobicContact CB-CD1 4.04Å; L924-I926 HydrophobicContact CB-CG1 3.81Å; L924-I926 HydrophobicContact CD1-CD1 4.01Å; L924-I926 PolarHBondContact O-N 2.85Å; I926-R929 HydrophobicContact CG2-CG 4.48Å; I926-F947 HydrophobicContact CD1-CD1 3.84Å; I926-F947 HydrophobicContact CD1-CE1 4Å; I926-F947 HydrophobicContact CG1-CD1 4.49Å; I926-F947 HydrophobicContact CG2-CD1 3.92Å; I926-H949 WeakPolarHBondContact CA-O 3.39Å; I926-I950 HydrophobicContact CG1-CG2 4.24Å | ||
| 927 | G | 83.6 | Confident | 91.1 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.045 | C | C | . | . | trans | -101.1 | 178.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G925 R929 H949 E963 | G925-G927 PolarHBondContact O-N 3.29Å; G927-R929 VanDerWaalsContact C-N 3.32Å; G927-R929 PolarHBondContact O-N 3.04Å; G927-R929 PolarHBondContact O-NE 3.3Å; G927-R929 PolarHBondContact O-NH2 2.74Å; G927-H949 PolarHBondContact N-O 2.94Å; G927-E963 WeakPolarHBondContact CA-OE2 3.38Å | ||
| 928 | D | 81.6 | Confident | 90.9 | Very high | 20 Ų | 20 | 11 Ų | 11 | 11% | 0.107 | 5% | 0.054 | C | C | . | . | trans | 55.2 | 40.7 | -179.8 | -150.3 | 31.8 | 0 | 0 | 0 | 113.2 | H930 K955 R962 E963 | D928-H930 PolarHBondContact O-CD2 2.94Å; D928-H930 VanDerWaalsContact O-CD2 3.29Å; D928-K955 IonicContact OD2-NZ 3.49Å; D928-K955 PolarHBondContact OD2-NZ 3.23Å; D928-R962 IonicContact OD1-NH1 3.6Å; D928-E963 WeakPolarHBondContact CA-OE1 3.23Å; D928-E963 PolarHBondContact N-OE1 2.73Å; D928-E963 PolarHBondContact N-OE2 2.77Å | ||
| 929 | R | 86.9 | Confident | 90.7 | Very high | 9 Ų | 9 | 13 Ų | 13 | 3% | 0.034 | 7% | 0.066 | C | C | . | . | trans | -85.8 | 121.2 | 179.1 | -60.3 | -56.4 | 86 | 177.7 | 3.6 | 111.3 | I926 G927 H944 I945 D946 E963 I968 W1068 | I926-R929 HydrophobicContact CG2-CG 4.48Å; G927-R929 VanDerWaalsContact C-N 3.32Å; G927-R929 PolarHBondContact O-N 3.04Å; G927-R929 PolarHBondContact O-NE 3.3Å; G927-R929 PolarHBondContact O-NH2 2.74Å; R929-H944 WeakPolarHBondContact CD-ND1 3.19Å; R929-I945 PolarHBondContact NH1-O 3.49Å; R929-D946 VanDerWaalsContact CZ-O 3.22Å; R929-D946 PolarHBondContact NH1-O 2.93Å; R929-D946 PolarHBondContact NH2-O 3.09Å; R929-E963 PolarHBondContact N-OE1 3.45Å; R929-I968 HydrophobicContact CB-CD1 3.29Å; R929-I968 HydrophobicContact CB-CG1 4.45Å; R929-I968 HydrophobicContact CG-CD1 3.25Å; R929-W1068 PolarHBondContact O-NE1 2.83Å | ||
| 930 | H | 84.7 | Confident | 90.6 | Very high | 11 Ų | 11 | 13 Ų | 13 | 5% | 0.051 | 7% | 0.066 | C | C | . | . | trans | -147.1 | 172.4 | 179.6 | 51.5 | 63 | 0 | 0 | 0 | 111.1 | D928 D932 N933 I934 W1068 H1071 | D928-H930 PolarHBondContact O-CD2 2.94Å; D928-H930 VanDerWaalsContact O-CD2 3.29Å; H930-D932 PolarHBondContact ND1-N 3.27Å; H930-D932 IonicContact ND1-OD2 2.82Å; H930-D932 PolarHBondContact O-N 2.89Å; H930-D932 VanDerWaalsContact O-N 3.12Å; H930-N933 PolarHBondContact CE1-ND2 3.38Å; H930-N933 PolarHBondContact CE1-OD1 2.71Å; H930-N933 PolarHBondContact O-N 2.99Å; H930-I934 PolarHBondContact O-N 3.43Å; H930-W1068 HydrophobicContact CB-CG 4.38Å; H930-H1071 AromaticContact CD2-CD2 3.91Å; H930-H1071 AromaticContact CD2-CE1 3.5Å; H930-H1071 PolarHBondContact CD2-CE1 3.21Å; H930-H1071 VanDerWaalsContact CD2-CE1 3.5Å; H930-H1071 AromaticContact CD2-ND1 3.78Å; H930-H1071 AromaticContact CD2-NE2 3.64Å; H930-H1071 AromaticContact CE1-CE1 3.59Å; H930-H1071 AromaticContact CG-CE1 3.82Å; H930-H1071 AromaticContact CG-ND1 3.72Å; H930-H1071 AromaticContact ND1-CE1 3.88Å; H930-H1071 AromaticContact ND1-ND1 3.95Å; H930-H1071 AromaticContact NE2-CE1 3.32Å; H930-H1071 PolarHBondContact NE2-CE1 2.95Å; H930-H1071 VanDerWaalsContact NE2-CE1 3.32Å; H930-H1071 AromaticContact NE2-NE2 3.58Å | ||
| 931 | S | 85.4 | Confident | 90.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.3 | -173.4 | 52.9 | 0 | 0 | 0 | 0 | 115.4 | I869 A870 N1072 | I869-S931 PolarHBondContact N-O 3.32Å; A870-S931 PolarHBondContact N-O 3.06Å; S931-N1072 PolarHBondContact OG-ND2 2.98Å; S931-N1072 VanDerWaalsContact OG-ND2 3.15Å |
| 932 | D | 83.9 | Confident | 90.7 | Very high | 24 Ų | 24 | 14.4 Ų | 14.4 | 13% | 0.128 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -26 | 170.1 | -64.1 | -74 | 0 | 0 | 0 | 113.9 | T868 H930 H1071 N1072 K1075 | T868-D932 WeakPolarHBondContact CG2-O 3.28Å; H930-D932 PolarHBondContact ND1-N 3.27Å; H930-D932 IonicContact ND1-OD2 2.82Å; H930-D932 PolarHBondContact O-N 2.89Å; H930-D932 VanDerWaalsContact O-N 3.12Å; D932-H1071 IonicContact OD2-CE1 3.5Å; D932-H1071 IonicContact OD2-ND1 2.69Å; D932-N1072 PolarHBondContact OD2-OD1 3.21Å; D932-K1075 IonicContact OD1-NZ 3.97Å; D932-K1075 PolarHBondContact OD1-NZ 2.82Å; D932-K1075 IonicContact OD2-NZ 3.69Å; D932-K1075 PolarHBondContact OD2-NZ 3.31Å |
| 933 | N | 90.3 | Very high | 90.9 | Very high | 17 Ų | 17 | 14.1 Ų | 14.1 | 9% | 0.091 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -109.9 | 15.1 | -173 | -74.4 | 8.4 | 0 | 0 | 0 | 112.6 | H930 I945 D946 | H930-N933 PolarHBondContact CE1-ND2 3.38Å; H930-N933 PolarHBondContact CE1-OD1 2.71Å; H930-N933 PolarHBondContact O-N 2.99Å; N933-I945 HydrophobicContact CB-CG1 4.23Å; N933-I945 WeakPolarHBondContact O-CG1 3.34Å; N933-I945 PolarHBondContact O-N 3.44Å; N933-D946 PolarHBondContact ND2-OD2 3.27Å |
| 934 | I | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129.9 | 171.6 | -59.3 | 167.9 | 0 | 0 | 0 | 107.2 | I869 H930 L942 F973 W1068 | I869-I934 HydrophobicContact CD1-CB 3.75Å; I869-I934 HydrophobicContact CD1-CG2 3.44Å; I869-I934 VanDerWaalsContact CD1-CG2 3.44Å; I869-I934 HydrophobicContact CG1-CB 4.49Å; I869-I934 HydrophobicContact CG1-CG2 4.3Å; I869-I934 PolarHBondContact N-O 3.24Å; H930-I934 PolarHBondContact O-N 3.43Å; I934-L942 HydrophobicContact CG2-CD1 4.05Å; I934-L942 HydrophobicContact CG2-CD2 4.11Å; I934-L942 HydrophobicContact CG2-CG 3.95Å; I934-F973 HydrophobicContact CD1-CZ 4.26Å; I934-F973 HydrophobicContact CG2-CZ 4.21Å; I934-W1068 HydrophobicContact CD1-CH2 3.43Å; I934-W1068 VanDerWaalsContact CD1-CH2 3.43Å; I934-W1068 HydrophobicContact CD1-CZ2 3.56Å |
| 935 | M | 95.6 | Very high | 90.9 | Very high | 29 Ų | 29 | 16.1 Ų | 16.1 | 14% | 0.143 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 154.6 | -174.2 | -64 | -171 | 77 | 0 | 0 | 110.9 | A866 D867 T868 L942 F943 I945 | A866-M935 HydrophobicContact CB-CE 3.84Å; D867-M935 CarbonylContact O-C 3.51Å; D867-M935 VanDerWaalsContact O-CA 3.24Å; D867-M935 WeakPolarHBondContact O-CA 3.45Å; T868-M935 HydrophobicContact CG2-CE 4.32Å; T868-M935 HydrophobicContact CG2-CG 3.98Å; T868-M935 HydrophobicContact CG2-SD 4.45Å; M935-L942 WeakPolarHBondContact O-CA 3.39Å; M935-F943 HydrophobicContact CB-CD1 4.06Å; M935-F943 HydrophobicContact CB-CD2 4.3Å; M935-F943 HydrophobicContact CB-CE1 3.51Å; M935-F943 HydrophobicContact CB-CE2 3.79Å; M935-F943 HydrophobicContact CB-CG 4.42Å; M935-F943 HydrophobicContact CB-CZ 3.36Å; M935-F943 HydrophobicContact CE-CZ 4.28Å; M935-F943 HydrophobicContact CG-CE2 4.22Å; M935-F943 HydrophobicContact CG-CZ 4.06Å; M935-F943 PolarHBondContact N-O 3.01Å; M935-F943 PolarHBondContact O-N 3.35Å; M935-F943 HydrophobicContact SD-CE2 3.8Å; M935-F943 HydrophobicContact SD-CZ 3.68Å; M935-I945 HydrophobicContact CG-CD1 4.17Å; M935-I945 HydrophobicContact CG-CG1 4.44Å; M935-I945 HydrophobicContact CG-CG2 4.32Å; M935-I945 HydrophobicContact SD-CD1 3.85Å; M935-I945 HydrophobicContact SD-CG1 4.48Å; M935-I945 HydrophobicContact SD-CG2 3.87Å |
| 936 | V | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 130.3 | 176.1 | -176.2 | 0 | 0 | 0 | 0 | 109 | A866 D867 I869 I872 L890 W893 L894 F910 Q941 L942 | A866-V936 WeakPolarHBondContact CA-O 3.25Å; D867-V936 PolarHBondContact N-O 3.45Å; D867-V936 PolarHBondContact O-N 3.3Å; I869-V936 HydrophobicContact CG1-CG2 4.23Å; I872-V936 HydrophobicContact CD1-CB 4.32Å; L890-V936 HydrophobicContact CD1-CG2 4.13Å; W893-V936 HydrophobicContact CZ3-CB 4.5Å; W893-V936 HydrophobicContact CZ3-CG1 4.04Å; L894-V936 HydrophobicContact CD2-CG1 4.31Å; F910-V936 HydrophobicContact CD2-CG1 4.27Å; F910-V936 HydrophobicContact CE2-CG2 4.13Å; V936-Q941 CarbonylContact C-O 3.58Å; V936-Q941 WeakPolarHBondContact CA-O 3.45Å; V936-L942 HydrophobicContact CG2-CB 4.45Å; V936-L942 HydrophobicContact CG2-CD1 4.42Å; V936-L942 HydrophobicContact CG2-CG 4.45Å |
| 937 | R | 95 | Very high | 90.9 | Very high | 71 Ų | 71 | 19 Ų | 19 | 27% | 0.268 | 10% | 0.097 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 154.2 | 173.1 | -63.2 | -175.6 | 71 | -160.6 | 1.6 | 110.2 | V863 S865 A866 W893 T939 G940 Q941 F943 | V863-R937 HydrophobicContact CG1-CG 4.03Å; S865-R937 CarbonylContact O-C 3.16Å; S865-R937 WeakPolarHBondContact O-CA 3.24Å; A866-R937 HydrophobicContact CB-CG 4.12Å; W893-R937 WeakPolarHBondContact CZ3-O 3.24Å; R937-T939 WeakPolarHBondContact CB-OG1 3.07Å; R937-T939 PolarHBondContact O-N 3.47Å; R937-T939 VanDerWaalsContact O-N 3.07Å; R937-G940 PolarHBondContact O-N 2.95Å; R937-Q941 HydrophobicContact CB-CB 4.29Å; R937-Q941 HydrophobicContact CG-CB 4.36Å; R937-Q941 PolarHBondContact N-O 2.97Å; R937-F943 HydrophobicContact CG-CD1 4.27Å; R937-F943 HydrophobicContact CG-CE1 3.85Å |
| 938 | S | 91.5 | Very high | 90.9 | Very high | 29 Ų | 29 | 20.2 Ų | 20.2 | 20% | 0.203 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.6 | 174.6 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | S865 N898 G940 | S865-S938 WeakPolarHBondContact CB-OG 3.49Å; S865-S938 PolarHBondContact O-N 2.91Å; N898-S938 PolarHBondContact ND2-O 3.39Å; N898-S938 PolarHBondContact OD1-O 2.84Å; S938-G940 PolarHBondContact O-N 3.24Å |
| 939 | T | 90.1 | Very high | 91.1 | Very high | 45 Ų | 45 | 21.2 Ų | 21.2 | 28% | 0.276 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -3 | 174.6 | 56.4 | 0 | 0 | 0 | 0 | 114 | A906 R937 | A906-T939 VanDerWaalsContact CA-O 3.29Å; A906-T939 WeakPolarHBondContact CA-O 3.42Å; R937-T939 WeakPolarHBondContact CB-OG1 3.07Å; R937-T939 PolarHBondContact O-N 3.47Å; R937-T939 VanDerWaalsContact O-N 3.07Å |
| 940 | G | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 98.9 | -18.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A906 F910 R937 S938 L942 | A906-G940 WeakPolarHBondContact O-CA 3.48Å; F910-G940 WeakPolarHBondContact CA-O 3.25Å; F910-G940 WeakPolarHBondContact CB-O 3.47Å; F910-G940 WeakPolarHBondContact CD2-O 3.4Å; F910-G940 PolarHBondContact N-O 2.99Å; R937-G940 PolarHBondContact O-N 2.95Å; S938-G940 PolarHBondContact O-N 3.24Å; G940-L942 PolarHBondContact O-N 3.48Å |
| 941 | Q | 95.1 | Very high | 91.5 | Very high | 30 Ų | 30 | 20.8 Ų | 20.8 | 14% | 0.14 | 11% | 0.112 | C | C | . | . | trans | -63.4 | 123.9 | -177.3 | -66 | 174 | -31.1 | 0 | 0 | 112.2 | R844 V846 E909 V936 R937 | R844-Q941 HydrophobicContact CB-CG 4.43Å; V846-Q941 HydrophobicContact CG2-CB 4.33Å; E909-Q941 HydrophobicContact CB-CG 3.93Å; E909-Q941 HydrophobicContact CG-CG 4.38Å; E909-Q941 VanDerWaalsContact OE2-CG 3.3Å; E909-Q941 WeakPolarHBondContact OE2-CG 3.06Å; E909-Q941 PolarHBondContact OE2-NE2 2.94Å; V936-Q941 CarbonylContact C-O 3.58Å; V936-Q941 WeakPolarHBondContact CA-O 3.45Å; R937-Q941 HydrophobicContact CB-CB 4.29Å; R937-Q941 HydrophobicContact CG-CB 4.36Å; R937-Q941 PolarHBondContact N-O 2.97Å | ||
| 942 | L | 96.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 139.9 | 174.8 | -179.7 | 148.4 | 0 | 0 | 0 | 110.1 | F910 S913 Y917 I934 M935 V936 G940 F973 | F910-L942 HydrophobicContact CD2-CB 4.28Å; F910-L942 HydrophobicContact CE2-CB 4.23Å; F910-L942 HydrophobicContact CE2-CD1 3.71Å; F910-L942 HydrophobicContact CZ-CD1 3.81Å; S913-L942 WeakPolarHBondContact CB-O 3.3Å; S913-L942 PolarHBondContact OG-N 3.24Å; Y917-L942 HydrophobicContact CD2-CD2 4.25Å; Y917-L942 VanDerWaalsContact CD2-O 3.27Å; Y917-L942 WeakPolarHBondContact CD2-O 3.36Å; Y917-L942 WeakPolarHBondContact CE2-O 3.34Å; Y917-L942 HydrophobicContact CG-CD2 4.39Å; I934-L942 HydrophobicContact CG2-CD1 4.05Å; I934-L942 HydrophobicContact CG2-CD2 4.11Å; I934-L942 HydrophobicContact CG2-CG 3.95Å; M935-L942 WeakPolarHBondContact O-CA 3.39Å; V936-L942 HydrophobicContact CG2-CB 4.45Å; V936-L942 HydrophobicContact CG2-CD1 4.42Å; V936-L942 HydrophobicContact CG2-CG 4.45Å; G940-L942 PolarHBondContact O-N 3.48Å; L942-F973 HydrophobicContact CD1-CD1 4.29Å; L942-F973 HydrophobicContact CD1-CE1 3.82Å; L942-F973 HydrophobicContact CD1-CE2 4.25Å; L942-F973 HydrophobicContact CD1-CZ 3.79Å |
| 943 | F | 96.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 155.8 | 173.1 | 66.8 | -79.2 | 0 | 0 | 0 | 112.8 | V846 Y848 V863 A866 Y917 M935 R937 I945 | V846-F943 HydrophobicContact CB-CB 3.92Å; V846-F943 HydrophobicContact CB-CG 4.18Å; V846-F943 HydrophobicContact CG1-CG 4.49Å; V846-F943 HydrophobicContact CG2-CB 4.4Å; Y848-F943 HydrophobicContact CD1-CD2 4.2Å; Y848-F943 HydrophobicContact CD1-CE2 4.38Å; Y848-F943 HydrophobicContact CE1-CD2 4.26Å; V863-F943 HydrophobicContact CB-CE1 4.35Å; V863-F943 HydrophobicContact CB-CE2 4.2Å; V863-F943 HydrophobicContact CB-CZ 3.71Å; V863-F943 HydrophobicContact CG1-CE1 4.04Å; V863-F943 HydrophobicContact CG1-CZ 3.92Å; V863-F943 HydrophobicContact CG2-CE2 3.88Å; V863-F943 HydrophobicContact CG2-CZ 3.91Å; A866-F943 HydrophobicContact CB-CE1 3.67Å; A866-F943 HydrophobicContact CB-CZ 3.69Å; Y917-F943 HydrophobicContact CE1-CB 4.44Å; Y917-F943 VanDerWaalsContact CE2-CA 3.47Å; Y917-F943 HydrophobicContact CE2-CB 3.64Å; Y917-F943 WeakPolarHBondContact OH-CB 3.35Å; M935-F943 HydrophobicContact CB-CD1 4.06Å; M935-F943 HydrophobicContact CB-CD2 4.3Å; M935-F943 HydrophobicContact CB-CE1 3.51Å; M935-F943 HydrophobicContact CB-CE2 3.79Å; M935-F943 HydrophobicContact CB-CG 4.42Å; M935-F943 HydrophobicContact CB-CZ 3.36Å; M935-F943 HydrophobicContact CE-CZ 4.28Å; M935-F943 HydrophobicContact CG-CE2 4.22Å; M935-F943 HydrophobicContact CG-CZ 4.06Å; M935-F943 PolarHBondContact N-O 3.01Å; M935-F943 PolarHBondContact O-N 3.35Å; M935-F943 HydrophobicContact SD-CE2 3.8Å; M935-F943 HydrophobicContact SD-CZ 3.68Å; R937-F943 HydrophobicContact CG-CD1 4.27Å; R937-F943 HydrophobicContact CG-CE1 3.85Å; F943-I945 HydrophobicContact CD2-CG2 3.9Å; F943-I945 HydrophobicContact CE2-CG2 3.62Å |
| 944 | H | 94.8 | Very high | 90 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.028 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 147.7 | -180 | -71.8 | -135.7 | 0 | 0 | 0 | 110.1 | Y848 Y917 R929 F947 | Y848-H944 WeakPolarHBondContact CE1-O 3.47Å; Y917-H944 HydrophobicContact CD1-CB 3.91Å; Y917-H944 AromaticContact CD1-CD2 3.6Å; Y917-H944 AromaticContact CD1-CG 3.85Å; Y917-H944 HydrophobicContact CE1-CB 4.03Å; Y917-H944 AromaticContact CG-CD2 3.7Å; R929-H944 WeakPolarHBondContact CD-ND1 3.19Å; H944-F947 HydrophobicContact CB-CE1 3.91Å; H944-F947 HydrophobicContact CB-CZ 4.1Å; H944-F947 VanDerWaalsContact O-CZ 3.23Å; H944-F947 WeakPolarHBondContact O-CZ 3.43Å |
| 945 | I | 94 | Very high | 88.6 | Confident | 39 Ų | 39 | 28.4 Ų | 28.4 | 20% | 0.2 | 15% | 0.15 | C | C | . | . | trans | -127.1 | 166.6 | 174.7 | 61.2 | 166.6 | 0 | 0 | 0 | 111.2 | Y848 R929 N933 M935 F943 | Y848-I945 HydrophobicContact CE1-CB 4.48Å; Y848-I945 HydrophobicContact CE1-CG2 3.74Å; Y848-I945 WeakPolarHBondContact OH-CA 3.28Å; R929-I945 PolarHBondContact NH1-O 3.49Å; N933-I945 HydrophobicContact CB-CG1 4.23Å; N933-I945 WeakPolarHBondContact O-CG1 3.34Å; N933-I945 PolarHBondContact O-N 3.44Å; M935-I945 HydrophobicContact CG-CD1 4.17Å; M935-I945 HydrophobicContact CG-CG1 4.44Å; M935-I945 HydrophobicContact CG-CG2 4.32Å; M935-I945 HydrophobicContact SD-CD1 3.85Å; M935-I945 HydrophobicContact SD-CG1 4.48Å; M935-I945 HydrophobicContact SD-CG2 3.87Å; F943-I945 HydrophobicContact CD2-CG2 3.9Å; F943-I945 HydrophobicContact CE2-CG2 3.62Å | ||
| 946 | D | 89.8 | Confident | 86.6 | Confident | 67 Ų | 67 | 31.1 Ų | 31.1 | 36% | 0.358 | 17% | 0.172 | S | C | . | . | trans | 60.2 | 85.5 | 174.6 | -176.2 | 15.3 | 0 | 0 | 0 | 112.6 | R929 N933 G948 | R929-D946 VanDerWaalsContact CZ-O 3.22Å; R929-D946 PolarHBondContact NH1-O 2.93Å; R929-D946 PolarHBondContact NH2-O 3.09Å; N933-D946 PolarHBondContact ND2-OD2 3.27Å; D946-G948 PolarHBondContact O-N 3.23Å | ||
| 947 | F | 90.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -98.9 | 33.9 | -172 | -58.5 | -74.4 | 0 | 0 | 0 | 113.5 | Q821 D822 T825 L826 L829 Y848 I926 H944 H949 | Q821-F947 PolarHBondContact NE2-O 3.33Å; D822-F947 PolarHBondContact OD1-N 3.4Å; T825-F947 HydrophobicContact CG2-CB 3.81Å; T825-F947 HydrophobicContact CG2-CD1 3.59Å; T825-F947 HydrophobicContact CG2-CD2 4.15Å; T825-F947 HydrophobicContact CG2-CE1 4.14Å; T825-F947 HydrophobicContact CG2-CG 3.58Å; L826-F947 HydrophobicContact CD1-CD2 4.46Å; L826-F947 HydrophobicContact CD1-CE2 4.32Å; L826-F947 HydrophobicContact CD2-CE2 3.73Å; L826-F947 HydrophobicContact CD2-CZ 4.42Å; L826-F947 HydrophobicContact CG-CD2 4.11Å; L826-F947 HydrophobicContact CG-CE2 3.79Å; L829-F947 HydrophobicContact CD1-CE1 4.16Å; L829-F947 HydrophobicContact CD1-CE2 4.37Å; L829-F947 HydrophobicContact CD1-CZ 3.76Å; Y848-F947 HydrophobicContact CE1-CE2 4.28Å; Y848-F947 WeakPolarHBondContact OH-CE2 3.28Å; I926-F947 HydrophobicContact CD1-CD1 3.84Å; I926-F947 HydrophobicContact CD1-CE1 4Å; I926-F947 HydrophobicContact CG1-CD1 4.49Å; I926-F947 HydrophobicContact CG2-CD1 3.92Å; H944-F947 HydrophobicContact CB-CE1 3.91Å; H944-F947 HydrophobicContact CB-CZ 4.1Å; H944-F947 VanDerWaalsContact O-CZ 3.23Å; H944-F947 WeakPolarHBondContact O-CZ 3.43Å; F947-H949 PolarHBondContact O-N 3.43Å | ||
| 948 | G | 83.1 | Confident | 82.1 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 26% | 0.258 | 22% | 0.219 | S | C | . | . | trans | -64.8 | -3.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q821 D946 | Q821-G948 PolarHBondContact NE2-O 2.99Å; Q821-G948 VanDerWaalsContact NE2-O 3.13Å; D946-G948 PolarHBondContact O-N 3.23Å | ||
| 949 | H | 86.6 | Confident | 79.8 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 19% | 0.185 | 25% | 0.246 | C | C | . | . | trans | -137.2 | 116.9 | 176.9 | -65.2 | -61.1 | 0 | 0 | 0 | 111.9 | I926 G927 F947 K955 E1023 | I926-H949 WeakPolarHBondContact CA-O 3.39Å; G927-H949 PolarHBondContact N-O 2.94Å; F947-H949 PolarHBondContact O-N 3.43Å; H949-K955 WeakPolarHBondContact NE2-CE 3.47Å; H949-K955 PolarHBondContact NE2-NZ 3.03Å; H949-E1023 WeakPolarHBondContact CA-OE2 3.35Å; H949-E1023 IonicContact CE1-OE1 2.65Å; H949-E1023 PolarHBondContact CE1-OE1 2.82Å; H949-E1023 IonicContact CG-OE1 2.97Å; H949-E1023 IonicContact ND1-OE1 3.21Å; H949-E1023 PolarHBondContact ND1-OE1 3.49Å | ||
| 950 | I | 90.7 | Very high | 77.8 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | trans | -134.3 | 171.8 | -178.5 | 67.9 | 174.5 | 0 | 0 | 0 | 112.2 | Q821 G925 I926 G952 N953 F1013 E1023 | Q821-I950 HydrophobicContact CG-CD1 4Å; Q821-I950 HydrophobicContact CG-CG1 4.32Å; G925-I950 CarbonylContact O-C 3.59Å; I926-I950 HydrophobicContact CG1-CG2 4.24Å; I950-G952 PolarHBondContact O-N 3.45Å; I950-G952 VanDerWaalsContact O-N 3.13Å; I950-N953 WeakPolarHBondContact O-CB 3.38Å; I950-N953 PolarHBondContact O-N 2.89Å; I950-N953 VanDerWaalsContact O-N 3.15Å; I950-N953 PolarHBondContact O-ND2 3.34Å; I950-F1013 HydrophobicContact CD1-CE1 4.19Å; I950-E1023 HydrophobicContact CG1-CB 4.38Å; I950-E1023 PolarHBondContact N-OE2 3.42Å | ||
| 951 | L | 88.5 | Confident | 76 | Confident | 8 Ų | 8 | 52.7 Ų | 52.7 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 30 | 176 | -56.4 | 175.6 | 0 | 0 | 0 | 113.9 | L924 G925 F1013 L1024 D1029 Y1032 L1033 | L924-L951 WeakPolarHBondContact O-CA 3.39Å; L924-L951 PolarHBondContact O-N 3.06Å; G925-L951 PolarHBondContact O-N 3.13Å; L951-F1013 HydrophobicContact CD1-CD1 3.97Å; L951-F1013 HydrophobicContact CD1-CE1 4Å; L951-F1013 HydrophobicContact CD2-CD1 4.32Å; L951-F1013 HydrophobicContact CD2-CE1 3.97Å; L951-F1013 HydrophobicContact CD2-CZ 4.4Å; L951-F1013 HydrophobicContact CG-CE1 4.22Å; L951-L1024 HydrophobicContact CD1-CB 4.46Å; L951-L1024 HydrophobicContact CD1-CD1 3.84Å; L951-D1029 HydrophobicContact CD1-CB 4.07Å; L951-Y1032 WeakPolarHBondContact O-CD2 3.39Å; L951-L1033 HydrophobicContact CD2-CD1 4.14Å; L951-L1033 HydrophobicContact CD2-CD2 3.87Å; L951-L1033 HydrophobicContact CD2-CG 3.73Å |
| 952 | G | 78.3 | Confident | 74 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 13% | 0.134 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 10.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G925 I950 F954 | G925-G952 PolarHBondContact O-N 3.4Å; G925-G952 VanDerWaalsContact O-N 3.17Å; I950-G952 PolarHBondContact O-N 3.45Å; I950-G952 VanDerWaalsContact O-N 3.13Å; G952-F954 WeakPolarHBondContact O-CD2 3.38Å; G952-F954 PolarHBondContact O-N 3.35Å |
| 953 | N | 78.5 | Confident | 72.2 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 33% | 0.332 | 30% | 0.302 | S | S | . | . | trans | -73.5 | 65.5 | 173 | -74.9 | -60.4 | 0 | 0 | 0 | 112.3 | I950 E1023 | I950-N953 WeakPolarHBondContact O-CB 3.38Å; I950-N953 PolarHBondContact O-N 2.89Å; I950-N953 VanDerWaalsContact O-N 3.15Å; I950-N953 PolarHBondContact O-ND2 3.34Å; N953-E1023 HydrophobicContact CB-CG 4.1Å; N953-E1023 WeakPolarHBondContact ND2-CB 3.39Å | ||
| 954 | F | 72.3 | Confident | 70 | Confident | 40 Ų | 40 | 66.1 Ų | 66.1 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 133.6 | -177.5 | -54.1 | -57.9 | 0 | 0 | 0 | 112.6 | G952 S956 E963 | G952-F954 WeakPolarHBondContact O-CD2 3.38Å; G952-F954 PolarHBondContact O-N 3.35Å; F954-S956 PolarHBondContact O-N 3.49Å; F954-E963 HydrophobicContact CD1-CB 4.32Å; F954-E963 WeakPolarHBondContact CD1-OE2 3.25Å; F954-E963 HydrophobicContact CG-CB 4.44Å |
| 955 | K | 64.6 | Low | 68.1 | Low | 87 Ų | 87 | 66.7 Ų | 66.7 | 38% | 0.378 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 134.6 | 173.8 | -77.1 | -176.5 | -178.2 | 149.3 | 0 | 111.4 | D928 H949 R962 | D928-K955 IonicContact OD2-NZ 3.49Å; D928-K955 PolarHBondContact OD2-NZ 3.23Å; H949-K955 WeakPolarHBondContact NE2-CE 3.47Å; H949-K955 PolarHBondContact NE2-NZ 3.03Å; K955-R962 WeakPolarHBondContact O-CB 3.43Å; K955-R962 PolarHBondContact O-N 3.25Å |
| 956 | S | 54 | Low | 66.4 | Low | 86 Ų | 86 | 66.3 Ų | 66.3 | 60% | 0.601 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 143.5 | 170.7 | 62.5 | 0 | 0 | 0 | 0 | 111.2 | F954 I960 | F954-S956 PolarHBondContact O-N 3.49Å; S956-I960 WeakPolarHBondContact CA-O 3.38Å |
| 957 | K | 47.7 | Very low | 65.3 | Low | 99 Ų | 99 | 63.2 Ų | 63.2 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 124.9 | 170.6 | -165.3 | -178.5 | 179.4 | -174.2 | 0 | 108 | G959 I960 R962 | K957-G959 PolarHBondContact O-N 2.92Å; K957-I960 PolarHBondContact N-O 2.61Å; K957-I960 PolarHBondContact O-N 2.98Å; K957-I960 VanDerWaalsContact O-N 3.15Å; K957-R962 HydrophobicContact CB-CG 4.42Å |
| 958 | F | 47.8 | Very low | 64.4 | Low | 191 Ų | 191 | 63.9 Ų | 63.9 | 84% | 0.838 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 33.2 | -175.7 | -54 | -68.2 | 0 | 0 | 0 | 114.6 | I960 | F958-I960 VanDerWaalsContact C-N 3.29Å; F958-I960 PolarHBondContact O-N 3.06Å |
| 959 | G | 43.5 | Very low | 64.3 | Low | 74 Ų | 74 | 62.7 Ų | 62.7 | 76% | 0.763 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | 0.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K957 | K957-G959 PolarHBondContact O-N 2.92Š|
| 960 | I | 48.1 | Very low | 64.1 | Low | 104 Ų | 104 | 60.8 Ų | 60.8 | 53% | 0.533 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 131 | 174 | -56.1 | 174.6 | 0 | 0 | 0 | 108.4 | S956 K957 F958 R962 | S956-I960 WeakPolarHBondContact CA-O 3.38Å; K957-I960 PolarHBondContact N-O 2.61Å; K957-I960 PolarHBondContact O-N 2.98Å; K957-I960 VanDerWaalsContact O-N 3.15Å; F958-I960 VanDerWaalsContact C-N 3.29Å; F958-I960 PolarHBondContact O-N 3.06Å; I960-R962 PolarHBondContact O-N 2.79Å |
| 961 | K | 55.8 | Low | 63.8 | Low | 129 Ų | 129 | 63 Ų | 63 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 128.7 | 171.3 | -68.5 | -170 | 177.5 | -169.7 | 0 | 109 | E963 | K961-E963 VanDerWaalsContact C-N 3.29Å; K961-E963 PolarHBondContact O-N 2.93Å |
| 962 | R | 53.4 | Low | 63.6 | Low | 92 Ų | 92 | 62.8 Ų | 62.8 | 35% | 0.347 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -61.8 | -38.4 | -179.1 | -95.5 | -177.6 | 160.5 | -175.5 | -6.1 | 111.9 | D928 K955 K957 I960 | D928-R962 IonicContact OD1-NH1 3.6Å; K955-R962 WeakPolarHBondContact O-CB 3.43Å; K955-R962 PolarHBondContact O-N 3.25Å; K957-R962 HydrophobicContact CB-CG 4.42Å; I960-R962 PolarHBondContact O-N 2.79Å |
| 963 | E | 58.1 | Low | 64.2 | Low | 35 Ų | 35 | 62.2 Ų | 62.2 | 16% | 0.164 | 31% | 0.309 | C | S | . | . | trans | -97.3 | 123 | 176.9 | -76 | 162.4 | 157.4 | 0 | 0 | 109.9 | G927 D928 R929 F954 K961 | G927-E963 WeakPolarHBondContact CA-OE2 3.38Å; D928-E963 WeakPolarHBondContact CA-OE1 3.23Å; D928-E963 PolarHBondContact N-OE1 2.73Å; D928-E963 PolarHBondContact N-OE2 2.77Å; R929-E963 PolarHBondContact N-OE1 3.45Å; F954-E963 HydrophobicContact CD1-CB 4.32Å; F954-E963 WeakPolarHBondContact CD1-OE2 3.25Å; F954-E963 HydrophobicContact CG-CB 4.44Å; K961-E963 VanDerWaalsContact C-N 3.29Å; K961-E963 PolarHBondContact O-N 2.93Å | ||
| 964 | R | 51 | Low | 64.7 | Low | 189 Ų | 189 | 59.8 Ų | 59.8 | 71% | 0.713 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -96.6 | -22.5 | 179.4 | -62.4 | -175.1 | -174.9 | -176.4 | 1.6 | 112.4 | ||
| 965 | V | 54.8 | Low | 65.5 | Low | 17 Ų | 17 | 59 Ų | 59 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | trans | -125.7 | 131.3 | -178.5 | -164.7 | 0 | 0 | 0 | 0 | 109 | F967 A1057 E1060 | V965-F967 VanDerWaalsContact C-N 3.28Å; V965-F967 HydrophobicContact CG1-CB 4.5Å; V965-F967 PolarHBondContact O-N 3.16Å; V965-A1057 HydrophobicContact CG1-CB 3.94Å; V965-E1060 HydrophobicContact CG2-CB 4.01Å; V965-E1060 HydrophobicContact CG2-CG 4.17Å; V965-E1060 WeakPolarHBondContact CG2-OE2 3.37Å | ||
| 966 | P | 58.3 | Low | 66.8 | Low | 32 Ų | 32 | 54.9 Ų | 54.9 | 21% | 0.208 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -78 | -12.2 | -179.6 | 32.9 | -36.8 | 0 | 0 | 0 | 113.2 | Y922 K1053 | Y922-P966 HydrophobicContact CD2-CB 3.87Å; Y922-P966 HydrophobicContact CD2-CG 3.95Å; Y922-P966 HydrophobicContact CE2-CB 4.12Å; Y922-P966 HydrophobicContact CE2-CG 3.83Å; P966-K1053 HydrophobicContact CG-CD 4.38Å |
| 967 | F | 67.1 | Low | 68.7 | Low | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -108.9 | 121.5 | 178.4 | -172 | -84.8 | 0 | 0 | 0 | 109.5 | C918 V965 L969 F1050 F1054 A1057 | C918-F967 HydrophobicContact CB-CE1 4.3Å; C918-F967 HydrophobicContact CB-CE2 3.72Å; C918-F967 HydrophobicContact CB-CZ 3.59Å; V965-F967 VanDerWaalsContact C-N 3.28Å; V965-F967 HydrophobicContact CG1-CB 4.5Å; V965-F967 PolarHBondContact O-N 3.16Å; F967-L969 HydrophobicContact CD1-CB 4.06Å; F967-L969 HydrophobicContact CE1-CB 3.79Å; F967-L969 HydrophobicContact CE1-CD2 4.3Å; F967-F1050 HydrophobicContact CD2-CE2 4.4Å; F967-F1050 HydrophobicContact CE2-CE2 4.23Å; F967-F1050 HydrophobicContact CE2-CZ 4.02Å; F967-F1054 AromaticContact CE1-CD2 3.71Å; F967-F1054 HydrophobicContact CE1-CD2 3.71Å; F967-F1054 HydrophobicContact CE1-CE2 4.02Å; F967-F1054 HydrophobicContact CE1-CG 4.48Å; F967-F1054 HydrophobicContact CE2-CD2 4.13Å; F967-F1054 AromaticContact CZ-CD2 3.38Å; F967-F1054 HydrophobicContact CZ-CD2 3.38Å; F967-F1054 AromaticContact CZ-CE2 3.72Å; F967-F1054 HydrophobicContact CZ-CE2 3.72Å; F967-F1054 HydrophobicContact CZ-CG 4.44Å; F967-A1057 HydrophobicContact CB-CB 3.94Å; F967-A1057 HydrophobicContact CD1-CB 3.41Å; F967-A1057 VanDerWaalsContact CD1-CB 3.41Å; F967-A1057 HydrophobicContact CE1-CB 4.32Å; F967-A1057 HydrophobicContact CG-CB 4.08Å; F967-A1057 WeakPolarHBondContact O-CB 3.4Å |
| 968 | I | 70.4 | Confident | 70.7 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | trans | -104.2 | 104.9 | -173.4 | -62 | 151.3 | 0 | 0 | 0 | 108.4 | C918 R929 T1064 W1068 | C918-I968 PolarHBondContact SG-O 3.41Å; C918-I968 VanDerWaalsContact SG-O 3.34Å; R929-I968 HydrophobicContact CB-CD1 3.29Å; R929-I968 HydrophobicContact CB-CG1 4.45Å; R929-I968 HydrophobicContact CG-CD1 3.25Å; I968-T1064 HydrophobicContact CG2-CG2 4.46Å; I968-W1068 HydrophobicContact CG2-CZ2 3.86Å | ||
| 969 | L | 81.3 | Confident | 72.5 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | trans | -129.9 | 112.2 | 171.5 | -175 | 65 | 0 | 0 | 0 | 108.2 | F967 F973 I974 F988 F991 F1054 L1058 S1061 | F967-L969 HydrophobicContact CD1-CB 4.06Å; F967-L969 HydrophobicContact CE1-CB 3.79Å; F967-L969 HydrophobicContact CE1-CD2 4.3Å; L969-F973 HydrophobicContact CD1-CB 4.32Å; L969-I974 HydrophobicContact CD1-CG1 4.17Å; L969-I974 HydrophobicContact CD2-CD1 4.08Å; L969-I974 HydrophobicContact CD2-CG1 4.08Å; L969-I974 HydrophobicContact CG-CD1 4.03Å; L969-I974 HydrophobicContact CG-CG1 3.92Å; L969-F988 HydrophobicContact CD2-CE2 4.46Å; L969-F988 HydrophobicContact CD2-CZ 4.44Å; L969-F991 HydrophobicContact CD1-CE1 3.91Å; L969-F991 HydrophobicContact CD1-CZ 3.8Å; L969-F991 HydrophobicContact CD2-CE1 4.18Å; L969-F1054 HydrophobicContact CD2-CZ 4.27Å; L969-L1058 HydrophobicContact CD2-CD1 4.22Å; L969-S1061 WeakPolarHBondContact O-CA 3.37Å; L969-S1061 VanDerWaalsContact O-CB 3.25Å; L969-S1061 WeakPolarHBondContact O-CB 3.25Å | ||
| 970 | T | 82.7 | Confident | 74.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -93.5 | 156.1 | -179.2 | 69.8 | 0 | 0 | 0 | 0 | 111.4 | D972 F973 I974 T1064 W1068 | T970-D972 PolarHBondContact O-N 3.35Å; T970-F973 HydrophobicContact CG2-CD2 4.5Å; T970-F973 HydrophobicContact CG2-CE2 4.28Å; T970-F973 PolarHBondContact O-N 2.68Å; T970-F973 VanDerWaalsContact O-N 3.15Å; T970-F973 WeakPolarHBondContact OG1-CD1 3.3Å; T970-F973 WeakPolarHBondContact OG1-CD2 3.28Å; T970-F973 VanDerWaalsContact OG1-CG 3.28Å; T970-F973 WeakPolarHBondContact OG1-CG 3.34Å; T970-F973 PolarHBondContact OG1-N 3.37Å; T970-I974 WeakPolarHBondContact O-CG1 3.35Å; T970-I974 PolarHBondContact O-N 2.88Å; T970-T1064 HydrophobicContact CG2-CG2 4.02Å; T970-W1068 HydrophobicContact CG2-CD2 4.16Å; T970-W1068 HydrophobicContact CG2-CE3 4.05Å; T970-W1068 HydrophobicContact CG2-CH2 3.31Å; T970-W1068 HydrophobicContact CG2-CZ2 3.43Å; T970-W1068 VanDerWaalsContact CG2-CZ2 3.43Å; T970-W1068 HydrophobicContact CG2-CZ3 3.65Å | ||
| 971 | H | 82.7 | Confident | 76 | Confident | 50 Ų | 50 | 39.9 Ų | 39.9 | 23% | 0.231 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.8 | -30.6 | 173.4 | -170.8 | -58.9 | 0 | 0 | 0 | 112.2 | K887 F973 H975 | K887-H971 VanDerWaalsContact CD-CE1 3.42Å; K887-H971 WeakPolarHBondContact CD-CE1 3.05Å; K887-H971 WeakPolarHBondContact CD-ND1 3.47Å; K887-H971 VanDerWaalsContact CE-CE1 3.45Å; K887-H971 WeakPolarHBondContact CE-CE1 3.44Å; K887-H971 WeakPolarHBondContact CE-ND1 3.44Å; K887-H971 PolarHBondContact NZ-CD2 2.98Å; K887-H971 PolarHBondContact NZ-CE1 2.7Å; K887-H971 PolarHBondContact NZ-NE2 2.74Å; H971-F973 VanDerWaalsContact C-N 3.35Å; H971-H975 WeakPolarHBondContact O-CB 3.39Å; H971-H975 PolarHBondContact O-N 2.93Å |
| 972 | D | 85.7 | Confident | 76.8 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.011 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.2 | -34.7 | -178.7 | -63.3 | -8.7 | 0 | 0 | 0 | 111.2 | Q873 T970 H975 V976 K1065 | Q873-D972 PolarHBondContact NE2-OD2 3.06Å; T970-D972 PolarHBondContact O-N 3.35Å; D972-H975 PolarHBondContact O-N 2.9Å; D972-V976 WeakPolarHBondContact O-CG2 3.12Å; D972-V976 PolarHBondContact O-N 3.14Å; D972-K1065 WeakPolarHBondContact OD1-CE 3.33Å; D972-K1065 IonicContact OD1-NZ 3Å; D972-K1065 PolarHBondContact OD1-NZ 3.13Å; D972-K1065 IonicContact OD2-NZ 3.96Å; D972-K1065 PolarHBondContact OD2-NZ 2.82Å |
| 973 | F | 91.4 | Very high | 77.5 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.6 | -45.6 | 176.1 | -58 | -16.6 | 0 | 0 | 0 | 111.7 | I869 L890 F910 I934 L942 L969 T970 H971 H975 V976 I977 W1068 | I869-F973 HydrophobicContact CD1-CE1 3.4Å; I869-F973 HydrophobicContact CD1-CZ 3.58Å; L890-F973 HydrophobicContact CD2-CD1 4.25Å; L890-F973 HydrophobicContact CD2-CE1 4.36Å; F910-F973 HydrophobicContact CE1-CB 4.21Å; F910-F973 HydrophobicContact CE1-CD1 4.5Å; F910-F973 HydrophobicContact CZ-CB 4.23Å; F910-F973 AromaticContact CZ-CD1 3.7Å; F910-F973 HydrophobicContact CZ-CD1 3.7Å; F910-F973 HydrophobicContact CZ-CE1 4.33Å; F910-F973 HydrophobicContact CZ-CG 4.17Å; I934-F973 HydrophobicContact CD1-CZ 4.26Å; I934-F973 HydrophobicContact CG2-CZ 4.21Å; L942-F973 HydrophobicContact CD1-CD1 4.29Å; L942-F973 HydrophobicContact CD1-CE1 3.82Å; L942-F973 HydrophobicContact CD1-CE2 4.25Å; L942-F973 HydrophobicContact CD1-CZ 3.79Å; L969-F973 HydrophobicContact CD1-CB 4.32Å; T970-F973 HydrophobicContact CG2-CD2 4.5Å; T970-F973 HydrophobicContact CG2-CE2 4.28Å; T970-F973 PolarHBondContact O-N 2.68Å; T970-F973 VanDerWaalsContact O-N 3.15Å; T970-F973 WeakPolarHBondContact OG1-CD1 3.3Å; T970-F973 WeakPolarHBondContact OG1-CD2 3.28Å; T970-F973 VanDerWaalsContact OG1-CG 3.28Å; T970-F973 WeakPolarHBondContact OG1-CG 3.34Å; T970-F973 PolarHBondContact OG1-N 3.37Å; H971-F973 VanDerWaalsContact C-N 3.35Å; F973-H975 PolarHBondContact O-N 3Å; F973-V976 PolarHBondContact O-N 2.87Å; F973-V976 VanDerWaalsContact O-N 3.17Å; F973-I977 VanDerWaalsContact O-CG1 3.31Å; F973-I977 WeakPolarHBondContact O-CG1 3.34Å; F973-I977 PolarHBondContact O-N 3.45Å; F973-W1068 HydrophobicContact CE1-CH2 4.45Å; F973-W1068 HydrophobicContact CE2-CH2 4.03Å; F973-W1068 AromaticContact CZ-CH2 3.63Å; F973-W1068 HydrophobicContact CZ-CH2 3.63Å; F973-W1068 HydrophobicContact CZ-CZ3 4.2Å |
| 974 | I | 88.9 | Confident | 78 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.9 | -42.9 | 176.4 | -61.7 | 163.4 | 0 | 0 | 0 | 109.9 | L969 T970 V976 I977 Q978 F988 L1058 | L969-I974 HydrophobicContact CD1-CG1 4.17Å; L969-I974 HydrophobicContact CD2-CD1 4.08Å; L969-I974 HydrophobicContact CD2-CG1 4.08Å; L969-I974 HydrophobicContact CG-CD1 4.03Å; L969-I974 HydrophobicContact CG-CG1 3.92Å; T970-I974 WeakPolarHBondContact O-CG1 3.35Å; T970-I974 PolarHBondContact O-N 2.88Å; I974-V976 PolarHBondContact O-N 2.83Å; I974-I977 PolarHBondContact O-N 3.13Å; I974-Q978 HydrophobicContact CG2-CG 4.18Å; I974-Q978 VanDerWaalsContact O-CB 3.32Å; I974-Q978 WeakPolarHBondContact O-CB 3.5Å; I974-Q978 VanDerWaalsContact O-CG 3.26Å; I974-Q978 WeakPolarHBondContact O-CG 3.44Å; I974-Q978 PolarHBondContact O-N 3.44Å; I974-F988 HydrophobicContact CG1-CE2 4.09Å; I974-F988 HydrophobicContact CG2-CD2 4.3Å; I974-F988 HydrophobicContact CG2-CE2 4.17Å; I974-L1058 HydrophobicContact CD1-CD1 3.4Å; I974-L1058 HydrophobicContact CG1-CD1 4.36Å |
| 975 | H | 89.1 | Confident | 79.4 | Confident | 23 Ų | 23 | 36.2 Ų | 36.2 | 11% | 0.106 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 178.6 | -168.6 | 77.8 | 0 | 0 | 0 | 112.8 | K887 D888 H971 D972 F973 Q979 G980 | K887-H975 PolarHBondContact O-CD2 3.1Å; K887-H975 VanDerWaalsContact O-CD2 3.22Å; D888-H975 IonicContact OD1-CD2 2.63Å; D888-H975 IonicContact OD1-CE1 3.85Å; D888-H975 PolarHBondContact OD1-CE1 3.22Å; D888-H975 IonicContact OD1-NE2 3.64Å; D888-H975 PolarHBondContact OD1-NE2 2.85Å; H971-H975 WeakPolarHBondContact O-CB 3.39Å; H971-H975 PolarHBondContact O-N 2.93Å; D972-H975 PolarHBondContact O-N 2.9Å; F973-H975 PolarHBondContact O-N 3Å; H975-Q979 PolarHBondContact O-N 3Å; H975-G980 VanDerWaalsContact CE1-CA 3.42Å; H975-G980 WeakPolarHBondContact CE1-CA 3.42Å; H975-G980 PolarHBondContact O-N 2.74Å |
| 976 | V | 92 | Very high | 80.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.7 | -48.6 | 174.6 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | L890 L891 L894 F910 D972 F973 I974 Q978 Q979 | L890-V976 HydrophobicContact CB-CG2 4.14Å; L890-V976 HydrophobicContact CD2-CG2 3.89Å; L890-V976 HydrophobicContact CG-CG2 3.92Å; L891-V976 HydrophobicContact CB-CG2 4.17Å; L894-V976 HydrophobicContact CD1-CG1 3.82Å; F910-V976 HydrophobicContact CB-CG1 4.35Å; F910-V976 HydrophobicContact CD1-CB 4.04Å; F910-V976 HydrophobicContact CD1-CG1 3.48Å; F910-V976 VanDerWaalsContact CD1-CG1 3.48Å; F910-V976 HydrophobicContact CD2-CG1 4.2Å; F910-V976 HydrophobicContact CE1-CB 3.78Å; F910-V976 HydrophobicContact CE1-CG1 3.75Å; F910-V976 HydrophobicContact CE2-CG1 4.42Å; F910-V976 HydrophobicContact CG-CG1 3.73Å; F910-V976 HydrophobicContact CZ-CB 4.17Å; F910-V976 HydrophobicContact CZ-CG1 4.22Å; F910-V976 HydrophobicContact CZ-CG2 4.41Å; D972-V976 WeakPolarHBondContact O-CG2 3.12Å; D972-V976 PolarHBondContact O-N 3.14Å; F973-V976 PolarHBondContact O-N 2.87Å; F973-V976 VanDerWaalsContact O-N 3.17Å; I974-V976 PolarHBondContact O-N 2.83Å; V976-Q978 VanDerWaalsContact C-N 3.27Å; V976-Q978 PolarHBondContact O-N 3.05Å; V976-Q979 WeakPolarHBondContact O-CA 3.47Å; V976-Q979 PolarHBondContact O-N 3.31Å |
| 977 | I | 91.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.5 | -37.9 | -180 | -66.3 | 163.2 | 0 | 0 | 0 | 111.2 | F910 T911 F973 I974 Q979 F988 F991 | F910-I977 HydrophobicContact CD1-CG1 4.14Å; F910-I977 HydrophobicContact CE1-CG1 4.17Å; T911-I977 HydrophobicContact CG2-CG1 4.33Å; T911-I977 HydrophobicContact CG2-CG2 4.17Å; F973-I977 VanDerWaalsContact O-CG1 3.31Å; F973-I977 WeakPolarHBondContact O-CG1 3.34Å; F973-I977 PolarHBondContact O-N 3.45Å; I974-I977 PolarHBondContact O-N 3.13Å; I977-Q979 PolarHBondContact O-N 3.15Å; I977-F988 HydrophobicContact CG2-CD2 4.38Å; I977-F991 HydrophobicContact CD1-CD1 4.27Å; I977-F991 HydrophobicContact CD1-CD2 3.71Å; I977-F991 HydrophobicContact CD1-CE1 4.39Å; I977-F991 HydrophobicContact CD1-CE2 3.83Å; I977-F991 HydrophobicContact CD1-CG 3.93Å; I977-F991 HydrophobicContact CD1-CZ 4.19Å; I977-F991 HydrophobicContact CG2-CB 4.12Å |
| 978 | Q | 89.8 | Confident | 83.3 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 0.4 | 177.2 | -66.7 | -179.5 | -21.9 | 0 | 0 | 113.4 | I974 V976 G980 K981 G983 T985 F988 | I974-Q978 HydrophobicContact CG2-CG 4.18Å; I974-Q978 VanDerWaalsContact O-CB 3.32Å; I974-Q978 WeakPolarHBondContact O-CB 3.5Å; I974-Q978 VanDerWaalsContact O-CG 3.26Å; I974-Q978 WeakPolarHBondContact O-CG 3.44Å; I974-Q978 PolarHBondContact O-N 3.44Å; V976-Q978 VanDerWaalsContact C-N 3.27Å; V976-Q978 PolarHBondContact O-N 3.05Å; Q978-G980 PolarHBondContact O-N 2.86Å; Q978-K981 VanDerWaalsContact O-CB 3.31Å; Q978-K981 WeakPolarHBondContact O-CB 3.25Å; Q978-K981 WeakPolarHBondContact O-CG 3.35Å; Q978-K981 PolarHBondContact O-N 3.44Å; Q978-K981 PolarHBondContact OE1-O 3.05Å; Q978-G983 PolarHBondContact NE2-O 3.14Å; Q978-T985 HydrophobicContact CB-CG2 4.23Å; Q978-T985 HydrophobicContact CG-CG2 4.21Å; Q978-F988 HydrophobicContact CG-CB 4.34Å |
| 979 | Q | 87.3 | Confident | 84.3 | Confident | 59 Ų | 59 | 47.5 Ų | 47.5 | 28% | 0.276 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 32.8 | -176.6 | -46.1 | -174.1 | -40.3 | 0 | 0 | 112.9 | D904 I907 H975 V976 I977 K981 | D904-Q979 PolarHBondContact OD1-NE2 3.03Å; I907-Q979 HydrophobicContact CD1-CG 4.04Å; I907-Q979 HydrophobicContact CG2-CG 4.22Å; H975-Q979 PolarHBondContact O-N 3Å; V976-Q979 WeakPolarHBondContact O-CA 3.47Å; V976-Q979 PolarHBondContact O-N 3.31Å; I977-Q979 PolarHBondContact O-N 3.15Å; Q979-K981 VanDerWaalsContact C-N 3.26Å; Q979-K981 PolarHBondContact O-N 2.96Å |
| 980 | G | 81.6 | Confident | 84.8 | Confident | 30 Ų | 30 | 49.4 Ų | 49.4 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 6.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | H975 Q978 | H975-G980 VanDerWaalsContact CE1-CA 3.42Å; H975-G980 WeakPolarHBondContact CE1-CA 3.42Å; H975-G980 PolarHBondContact O-N 2.74Å; Q978-G980 PolarHBondContact O-N 2.86Å |
| 981 | K | 83.3 | Confident | 85.4 | Confident | 124 Ų | 124 | 49.4 Ų | 49.4 | 54% | 0.539 | 28% | 0.279 | S | S | . | . | trans | -78 | 141.3 | 175.5 | -61.8 | 174.6 | -178.1 | 166.9 | 0 | 110.4 | Q978 Q979 T985 | Q978-K981 VanDerWaalsContact O-CB 3.31Å; Q978-K981 WeakPolarHBondContact O-CB 3.25Å; Q978-K981 WeakPolarHBondContact O-CG 3.35Å; Q978-K981 PolarHBondContact O-N 3.44Å; Q978-K981 PolarHBondContact OE1-O 3.05Å; Q979-K981 VanDerWaalsContact C-N 3.26Å; Q979-K981 PolarHBondContact O-N 2.96Å; K981-T985 HydrophobicContact CB-CG2 4.19Å | ||
| 982 | T | 72.5 | Confident | 86 | Confident | 149 Ų | 149 | 50.1 Ų | 50.1 | 91% | 0.914 | 28% | 0.28 | S | S | * | . | trans | -88.2 | 126.3 | 174.7 | 48.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 983 | G | 67.9 | Low | 86.5 | Confident | 46 Ų | 46 | 54.4 Ų | 54.4 | 47% | 0.474 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 120.9 | 174.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | Q978 T985 | Q978-G983 PolarHBondContact NE2-O 3.14Å; G983-T985 PolarHBondContact O-N 3.13Å |
| 984 | N | 67.9 | Low | 86.8 | Confident | 142 Ų | 142 | 57.1 Ų | 57.1 | 76% | 0.759 | 31% | 0.31 | S | S | * | . | trans | -76.6 | 103.2 | 179.1 | -162.3 | 18.7 | 0 | 0 | 0 | 109.8 | F988 | N984-F988 WeakPolarHBondContact OD1-CD1 3.17Š| ||
| 985 | T | 80.7 | Confident | 87.1 | Confident | 31 Ų | 31 | 56.6 Ų | 56.6 | 19% | 0.19 | 31% | 0.308 | C | S | . | . | trans | -88.3 | 155.3 | -179.8 | 62.9 | 0 | 0 | 0 | 0 | 111.1 | Q978 K981 G983 K987 F988 G989 | Q978-T985 HydrophobicContact CB-CG2 4.23Å; Q978-T985 HydrophobicContact CG-CG2 4.21Å; K981-T985 HydrophobicContact CB-CG2 4.19Å; G983-T985 PolarHBondContact O-N 3.13Å; T985-K987 PolarHBondContact O-N 2.82Å; T985-F988 PolarHBondContact O-N 3.15Å; T985-F988 PolarHBondContact OG1-N 2.6Å; T985-G989 PolarHBondContact O-N 3.09Å; T985-G989 VanDerWaalsContact O-N 3.14Å | ||
| 986 | E | 86.6 | Confident | 87.5 | Confident | 174 Ų | 174 | 55.9 Ų | 55.9 | 81% | 0.813 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -52.9 | -41.3 | 171.3 | -174.6 | -178.8 | 177.1 | 0 | 0 | 111.6 | F988 G989 S990 | E986-F988 VanDerWaalsContact C-N 3.32Å; E986-F988 PolarHBondContact O-N 3.37Å; E986-G989 CarbonylContact O-C 3.48Å; E986-G989 VanDerWaalsContact O-CA 3.31Å; E986-G989 WeakPolarHBondContact O-CA 3.31Å; E986-G989 PolarHBondContact O-N 2.89Å; E986-S990 PolarHBondContact O-N 3Å; E986-S990 PolarHBondContact O-OG 3.22Å |
| 987 | K | 86.1 | Confident | 87.8 | Confident | 80 Ų | 80 | 58.7 Ų | 58.7 | 35% | 0.348 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.5 | -39.1 | 175.1 | -73.7 | -67 | -169.4 | 177.9 | 0 | 113.6 | E908 T985 G989 S990 F991 | E908-K987 IonicContact OE2-NZ 3.57Å; E908-K987 PolarHBondContact OE2-NZ 3.3Å; T985-K987 PolarHBondContact O-N 2.82Å; K987-G989 VanDerWaalsContact C-N 3.33Å; K987-S990 PolarHBondContact O-N 2.74Å; K987-F991 PolarHBondContact O-N 3.27Å |
| 988 | F | 89.1 | Confident | 88.1 | Confident | 11 Ų | 11 | 58.7 Ų | 58.7 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.5 | -32.9 | 174.8 | -169.9 | -100.7 | 0 | 0 | 0 | 111.9 | L969 I974 I977 Q978 N984 T985 E986 F991 R992 F1054 L1058 | L969-F988 HydrophobicContact CD2-CE2 4.46Å; L969-F988 HydrophobicContact CD2-CZ 4.44Å; I974-F988 HydrophobicContact CG1-CE2 4.09Å; I974-F988 HydrophobicContact CG2-CD2 4.3Å; I974-F988 HydrophobicContact CG2-CE2 4.17Å; I977-F988 HydrophobicContact CG2-CD2 4.38Å; Q978-F988 HydrophobicContact CG-CB 4.34Å; N984-F988 WeakPolarHBondContact OD1-CD1 3.17Å; T985-F988 PolarHBondContact O-N 3.15Å; T985-F988 PolarHBondContact OG1-N 2.6Å; E986-F988 VanDerWaalsContact C-N 3.32Å; E986-F988 PolarHBondContact O-N 3.37Å; F988-F991 HydrophobicContact CD2-CD1 4.23Å; F988-F991 AromaticContact CE2-CD1 3.97Å; F988-F991 HydrophobicContact CE2-CD1 3.97Å; F988-F991 HydrophobicContact CE2-CE1 4.34Å; F988-F991 PolarHBondContact O-N 2.93Å; F988-R992 PolarHBondContact O-N 2.95Å; F988-F1054 HydrophobicContact CE1-CE1 4.3Å; F988-F1054 HydrophobicContact CZ-CE1 4.03Å; F988-F1054 HydrophobicContact CZ-CZ 4.03Å; F988-L1058 HydrophobicContact CE1-CD2 4.03Å; F988-L1058 HydrophobicContact CZ-CD1 3.8Å; F988-L1058 HydrophobicContact CZ-CD2 4.05Å |
| 989 | G | 91.1 | Very high | 88.5 | Confident | 35 Ų | 35 | 57.4 Ų | 57.4 | 36% | 0.361 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 169 | 0 | 0 | 0 | 0 | 0 | 112.5 | T985 E986 K987 F991 R992 Q993 | T985-G989 PolarHBondContact O-N 3.09Å; T985-G989 VanDerWaalsContact O-N 3.14Å; E986-G989 CarbonylContact O-C 3.48Å; E986-G989 VanDerWaalsContact O-CA 3.31Å; E986-G989 WeakPolarHBondContact O-CA 3.31Å; E986-G989 PolarHBondContact O-N 2.89Å; K987-G989 VanDerWaalsContact C-N 3.33Å; G989-F991 PolarHBondContact O-N 3.09Å; G989-R992 WeakPolarHBondContact O-CB 3.28Å; G989-R992 PolarHBondContact O-N 3.4Å; G989-Q993 PolarHBondContact O-N 3.25Å |
| 990 | S | 93.2 | Very high | 89 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 175 | -52.7 | 0 | 0 | 0 | 0 | 112.1 | E986 K987 R992 Q993 Y994 | E986-S990 PolarHBondContact O-N 3Å; E986-S990 PolarHBondContact O-OG 3.22Å; K987-S990 PolarHBondContact O-N 2.74Å; S990-R992 VanDerWaalsContact C-N 3.33Å; S990-R992 PolarHBondContact O-N 2.95Å; S990-Q993 WeakPolarHBondContact O-CB 3.29Å; S990-Q993 PolarHBondContact O-N 3Å; S990-Q993 VanDerWaalsContact O-N 3.13Å; S990-Y994 VanDerWaalsContact O-CD2 3.29Å; S990-Y994 WeakPolarHBondContact O-CD2 3.34Å; S990-Y994 VanDerWaalsContact O-CG 3.27Å; S990-Y994 PolarHBondContact O-N 3.14Å |
| 991 | F | 95 | Very high | 89.8 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.3 | -45.6 | 174.8 | 170.2 | -103.2 | 0 | 0 | 0 | 112.6 | T911 C914 A915 L969 I977 K987 F988 G989 Q993 Y994 C995 F1054 | T911-F991 HydrophobicContact CG2-CB 3.87Å; T911-F991 HydrophobicContact CG2-CD2 3.95Å; T911-F991 HydrophobicContact CG2-CG 4.37Å; C914-F991 HydrophobicContact CB-CE2 4.18Å; A915-F991 HydrophobicContact CB-CD2 3.93Å; A915-F991 HydrophobicContact CB-CE2 3.83Å; L969-F991 HydrophobicContact CD1-CE1 3.91Å; L969-F991 HydrophobicContact CD1-CZ 3.8Å; L969-F991 HydrophobicContact CD2-CE1 4.18Å; I977-F991 HydrophobicContact CD1-CD1 4.27Å; I977-F991 HydrophobicContact CD1-CD2 3.71Å; I977-F991 HydrophobicContact CD1-CE1 4.39Å; I977-F991 HydrophobicContact CD1-CE2 3.83Å; I977-F991 HydrophobicContact CD1-CG 3.93Å; I977-F991 HydrophobicContact CD1-CZ 4.19Å; I977-F991 HydrophobicContact CG2-CB 4.12Å; K987-F991 PolarHBondContact O-N 3.27Å; F988-F991 HydrophobicContact CD2-CD1 4.23Å; F988-F991 AromaticContact CE2-CD1 3.97Å; F988-F991 HydrophobicContact CE2-CD1 3.97Å; F988-F991 HydrophobicContact CE2-CE1 4.34Å; F988-F991 PolarHBondContact O-N 2.93Å; G989-F991 PolarHBondContact O-N 3.09Å; F991-Q993 VanDerWaalsContact C-N 3.34Å; F991-Y994 PolarHBondContact O-N 3.5Å; F991-C995 PolarHBondContact O-N 3.46Å; F991-C995 VanDerWaalsContact O-N 3.11Å; F991-C995 PolarHBondContact O-SG 2.7Å; F991-F1054 HydrophobicContact CD1-CE2 4.19Å; F991-F1054 AromaticContact CD1-CZ 3.89Å; F991-F1054 HydrophobicContact CD1-CZ 3.89Å; F991-F1054 AromaticContact CE1-CE2 3.62Å; F991-F1054 HydrophobicContact CE1-CE2 3.62Å; F991-F1054 AromaticContact CE1-CZ 3.63Å; F991-F1054 HydrophobicContact CE1-CZ 3.63Å; F991-F1054 HydrophobicContact CZ-CE2 4.44Å |
| 992 | R | 94.7 | Very high | 90.5 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 25% | 0.249 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 175.5 | -178.5 | -177.6 | -179.8 | 135.4 | 6.4 | 110.9 | F988 G989 S990 C995 E996 F1054 D1055 | F988-R992 PolarHBondContact O-N 2.95Å; G989-R992 WeakPolarHBondContact O-CB 3.28Å; G989-R992 PolarHBondContact O-N 3.4Å; S990-R992 VanDerWaalsContact C-N 3.33Å; S990-R992 PolarHBondContact O-N 2.95Å; R992-C995 WeakPolarHBondContact O-CB 3.46Å; R992-C995 PolarHBondContact O-N 3.5Å; R992-E996 HydrophobicContact CG-CG 4.46Å; R992-E996 WeakPolarHBondContact CG-OE1 3.34Å; R992-E996 IonicContact CZ-OE1 2.63Å; R992-E996 IonicContact NE-OE1 3.9Å; R992-E996 PolarHBondContact NE-OE1 3.35Å; R992-E996 IonicContact NH2-OE1 3.71Å; R992-E996 WeakPolarHBondContact O-CG 3.24Å; R992-E996 PolarHBondContact O-N 3.15Å; R992-F1054 HydrophobicContact CB-CE1 4.38Å; R992-F1054 HydrophobicContact CB-CZ 4.12Å; R992-F1054 HydrophobicContact CG-CE1 4.18Å; R992-F1054 HydrophobicContact CG-CZ 4.26Å; R992-D1055 IonicContact CZ-OD1 3.72Å; R992-D1055 IonicContact NH1-OD1 3.94Å; R992-D1055 PolarHBondContact NH1-OD1 3.41Å; R992-D1055 IonicContact NH1-OD2 3.67Å; R992-D1055 IonicContact NH2-OD1 2.68Å; R992-D1055 IonicContact NH2-OD2 3.11Å; R992-D1055 PolarHBondContact NH2-OD2 3.25Å |
| 993 | Q | 96.1 | Very high | 91.6 | Very high | 92 Ų | 92 | 44.6 Ų | 44.6 | 43% | 0.43 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.4 | -47.3 | 178.4 | -172.1 | 60.1 | 47.9 | 0 | 0 | 111.5 | G989 S990 F991 C995 E996 D997 | G989-Q993 PolarHBondContact O-N 3.25Å; S990-Q993 WeakPolarHBondContact O-CB 3.29Å; S990-Q993 PolarHBondContact O-N 3Å; S990-Q993 VanDerWaalsContact O-N 3.13Å; F991-Q993 VanDerWaalsContact C-N 3.34Å; Q993-C995 VanDerWaalsContact C-N 3.28Å; Q993-C995 PolarHBondContact O-N 3.37Å; Q993-E996 PolarHBondContact O-N 3.05Å; Q993-E996 VanDerWaalsContact O-N 3.08Å; Q993-D997 VanDerWaalsContact NE2-CG 3.29Å; Q993-D997 PolarHBondContact NE2-OD1 3.44Å; Q993-D997 PolarHBondContact NE2-OD2 3.35Å; Q993-D997 VanDerWaalsContact NE2-OD2 3.14Å; Q993-D997 PolarHBondContact O-N 3.18Å |
| 994 | Y | 97.4 | Very high | 92.8 | Very high | 59 Ų | 59 | 49.3 Ų | 49.3 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.4 | -39.7 | 175.6 | -60.5 | -36.7 | 0 | 0 | 0 | 112.5 | L841 E908 L912 S990 F991 A998 | L841-Y994 HydrophobicContact CD1-CD1 4.21Å; E908-Y994 PolarHBondContact OE1-OH 2.69Å; L912-Y994 HydrophobicContact CD2-CD1 4.45Å; L912-Y994 HydrophobicContact CD2-CD2 3.82Å; L912-Y994 HydrophobicContact CD2-CE1 4.28Å; L912-Y994 HydrophobicContact CD2-CE2 3.6Å; L912-Y994 HydrophobicContact CD2-CG 4.24Å; L912-Y994 HydrophobicContact CG-CE2 4.42Å; S990-Y994 VanDerWaalsContact O-CD2 3.29Å; S990-Y994 WeakPolarHBondContact O-CD2 3.34Å; S990-Y994 VanDerWaalsContact O-CG 3.27Å; S990-Y994 PolarHBondContact O-N 3.14Å; F991-Y994 PolarHBondContact O-N 3.5Å; Y994-A998 WeakPolarHBondContact O-CB 3.35Å; Y994-A998 PolarHBondContact O-N 3.07Å |
| 995 | C | 97 | Very high | 94 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.3 | -40.9 | 176.3 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | V919 F991 R992 Q993 Y999 F1050 F1054 | V919-C995 HydrophobicContact CG2-CB 4.02Å; V919-C995 WeakPolarHBondContact CG2-O 3.23Å; F991-C995 PolarHBondContact O-N 3.46Å; F991-C995 VanDerWaalsContact O-N 3.11Å; F991-C995 PolarHBondContact O-SG 2.7Å; R992-C995 WeakPolarHBondContact O-CB 3.46Å; R992-C995 PolarHBondContact O-N 3.5Å; Q993-C995 VanDerWaalsContact C-N 3.28Å; Q993-C995 PolarHBondContact O-N 3.37Å; C995-Y999 WeakPolarHBondContact O-CB 3.5Å; C995-Y999 PolarHBondContact O-N 3.38Å; C995-Y999 VanDerWaalsContact O-N 3.07Å; C995-F1050 HydrophobicContact CB-CE1 4.1Å; C995-F1050 HydrophobicContact CB-CZ 4.13Å; C995-F1054 HydrophobicContact CB-CE2 4.33Å |
| 996 | E | 97.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 3% | 0.033 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.8 | -47.4 | 178.9 | -72.2 | -178.3 | -170.9 | 0 | 0 | 111.3 | R992 Q993 Y999 L1000 L1047 F1050 R1051 | R992-E996 HydrophobicContact CG-CG 4.46Å; R992-E996 WeakPolarHBondContact CG-OE1 3.34Å; R992-E996 IonicContact CZ-OE1 2.63Å; R992-E996 IonicContact NE-OE1 3.9Å; R992-E996 PolarHBondContact NE-OE1 3.35Å; R992-E996 IonicContact NH2-OE1 3.71Å; R992-E996 WeakPolarHBondContact O-CG 3.24Å; R992-E996 PolarHBondContact O-N 3.15Å; Q993-E996 PolarHBondContact O-N 3.05Å; Q993-E996 VanDerWaalsContact O-N 3.08Å; E996-Y999 PolarHBondContact O-N 3.45Å; E996-L1000 WeakPolarHBondContact O-CG 3.29Å; E996-L1000 PolarHBondContact O-N 2.75Å; E996-L1000 VanDerWaalsContact O-N 3.14Å; E996-L1047 HydrophobicContact CB-CD1 3.81Å; E996-L1047 HydrophobicContact CG-CD1 3.81Å; E996-F1050 HydrophobicContact CG-CD1 4.31Å; E996-F1050 HydrophobicContact CG-CE1 4.28Å; E996-R1051 HydrophobicContact CG-CG 4.47Å; E996-R1051 VanDerWaalsContact OE1-CG 3.24Å; E996-R1051 WeakPolarHBondContact OE1-CG 3.38Å; E996-R1051 IonicContact OE1-CZ 2.74Å; E996-R1051 IonicContact OE1-NE 3.58Å; E996-R1051 PolarHBondContact OE1-NE 2.96Å; E996-R1051 IonicContact OE1-NH2 3.84Å; E996-R1051 IonicContact OE2-CZ 3.88Å; E996-R1051 VanDerWaalsContact OE2-CZ 3.27Å; E996-R1051 IonicContact OE2-NE 2.91Å; E996-R1051 PolarHBondContact OE2-NE 3.11Å; E996-R1051 IonicContact OE2-NH2 3.59Å; E996-R1051 PolarHBondContact OE2-NH2 2.92Å |
| 997 | D | 97.8 | Very high | 94.8 | Very high | 60 Ų | 60 | 38 Ų | 38 | 32% | 0.321 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.9 | -46.8 | 178.2 | -64.6 | -26.1 | 0 | 0 | 0 | 111.3 | L841 Q993 Y999 L1000 I1001 | L841-D997 HydrophobicContact CD2-CB 4.22Å; Q993-D997 VanDerWaalsContact NE2-CG 3.29Å; Q993-D997 PolarHBondContact NE2-OD1 3.44Å; Q993-D997 PolarHBondContact NE2-OD2 3.35Å; Q993-D997 VanDerWaalsContact NE2-OD2 3.14Å; Q993-D997 PolarHBondContact O-N 3.18Å; D997-Y999 VanDerWaalsContact C-N 3.31Å; D997-Y999 PolarHBondContact O-N 3.03Å; D997-L1000 PolarHBondContact O-N 2.92Å; D997-I1001 VanDerWaalsContact O-CG1 3.31Å; D997-I1001 WeakPolarHBondContact O-CG1 3.31Å; D997-I1001 PolarHBondContact O-N 3.21Å |
| 998 | A | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.9 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W836 L841 L843 V919 Y994 I1001 L1002 | W836-A998 HydrophobicContact CZ2-CB 4.03Å; W836-A998 PolarHBondContact NE1-O 2.77Å; L841-A998 HydrophobicContact CD2-CB 3.99Å; L843-A998 HydrophobicContact CD1-CB 3.56Å; V919-A998 HydrophobicContact CB-CB 4.39Å; V919-A998 HydrophobicContact CG1-CB 4.3Å; V919-A998 HydrophobicContact CG2-CB 4.09Å; Y994-A998 WeakPolarHBondContact O-CB 3.35Å; Y994-A998 PolarHBondContact O-N 3.07Å; A998-I1001 PolarHBondContact O-N 3.27Å; A998-L1002 WeakPolarHBondContact O-CG 3.44Å; A998-L1002 PolarHBondContact O-N 3.05Å |
| 999 | Y | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 177.8 | 175 | -104.1 | 0 | 0 | 0 | 112.2 | Y922 V923 C995 E996 D997 I1001 L1002 R1003 S1036 L1037 A1046 F1050 | Y922-Y999 HydrophobicContact CD1-CE2 4.46Å; Y922-Y999 HydrophobicContact CE1-CD2 4.36Å; Y922-Y999 AromaticContact CE1-CE2 3.89Å; Y922-Y999 HydrophobicContact CE1-CE2 3.89Å; V923-Y999 HydrophobicContact CG2-CD2 4.26Å; V923-Y999 HydrophobicContact CG2-CE2 4.48Å; C995-Y999 WeakPolarHBondContact O-CB 3.5Å; C995-Y999 PolarHBondContact O-N 3.38Å; C995-Y999 VanDerWaalsContact O-N 3.07Å; E996-Y999 PolarHBondContact O-N 3.45Å; D997-Y999 VanDerWaalsContact C-N 3.31Å; D997-Y999 PolarHBondContact O-N 3.03Å; Y999-I1001 PolarHBondContact O-N 3.04Å; Y999-L1002 PolarHBondContact O-N 2.86Å; Y999-R1003 WeakPolarHBondContact O-CB 3.49Å; Y999-R1003 PolarHBondContact O-N 3.17Å; Y999-S1036 WeakPolarHBondContact CE2-O 3.45Å; Y999-S1036 PolarHBondContact OH-O 2.83Å; Y999-L1037 HydrophobicContact CE2-CD2 4.23Å; Y999-L1037 VanDerWaalsContact OH-C 3.28Å; Y999-L1037 PolarHBondContact OH-O 2.65Å; Y999-A1046 HydrophobicContact CE1-CB 4.3Å; Y999-F1050 HydrophobicContact CD1-CB 3.91Å; Y999-F1050 HydrophobicContact CD1-CD1 4.33Å; Y999-F1050 HydrophobicContact CD1-CD2 4.23Å; Y999-F1050 AromaticContact CD1-CG 3.89Å; Y999-F1050 HydrophobicContact CD1-CG 3.89Å; Y999-F1050 AromaticContact CD2-CD2 3.71Å; Y999-F1050 HydrophobicContact CD2-CD2 3.71Å; Y999-F1050 HydrophobicContact CD2-CE2 4.04Å; Y999-F1050 HydrophobicContact CD2-CG 4.23Å; Y999-F1050 HydrophobicContact CE1-CB 3.8Å; Y999-F1050 HydrophobicContact CE1-CG 4.23Å; Y999-F1050 HydrophobicContact CE2-CD2 4.04Å; Y999-F1050 HydrophobicContact CG-CB 4.35Å; Y999-F1050 HydrophobicContact CG-CD1 4.28Å; Y999-F1050 AromaticContact CG-CD2 3.8Å; Y999-F1050 HydrophobicContact CG-CD2 3.8Å; Y999-F1050 HydrophobicContact CG-CE2 4.16Å; Y999-F1050 AromaticContact CG-CG 3.87Å; Y999-F1050 HydrophobicContact CG-CG 3.87Å |
| 1000 | L | 97.8 | Very high | 95.6 | Very high | 46 Ų | 46 | 32.8 Ų | 32.8 | 24% | 0.241 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.8 | -39.5 | 179.9 | -70.9 | 174.6 | 0 | 0 | 0 | 112.3 | E996 D997 L1002 R1003 K1004 L1047 | E996-L1000 WeakPolarHBondContact O-CG 3.29Å; E996-L1000 PolarHBondContact O-N 2.75Å; E996-L1000 VanDerWaalsContact O-N 3.14Å; D997-L1000 PolarHBondContact O-N 2.92Å; L1000-L1002 PolarHBondContact O-N 2.93Å; L1000-R1003 PolarHBondContact O-N 3.29Å; L1000-K1004 PolarHBondContact O-N 3.04Å; L1000-L1047 HydrophobicContact CD1-CD1 4.38Å; L1000-L1047 HydrophobicContact CD1-CD2 4.32Å; L1000-L1047 HydrophobicContact CD2-CB 4.4Å; L1000-L1047 HydrophobicContact CG-CD1 4.45Å |
| 1001 | I | 97.9 | Very high | 95.6 | Very high | 21 Ų | 21 | 31.3 Ų | 31.3 | 11% | 0.108 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 175.7 | -66.2 | 162 | 0 | 0 | 0 | 110.9 | L835 E839 L841 D997 A998 Y999 R1003 K1004 N1005 | L835-I1001 HydrophobicContact CB-CG2 4.35Å; E839-I1001 HydrophobicContact CB-CD1 3.83Å; E839-I1001 HydrophobicContact CB-CG1 4.17Å; E839-I1001 HydrophobicContact CG-CD1 4.36Å; E839-I1001 HydrophobicContact CG-CG1 4.16Å; E839-I1001 HydrophobicContact CG-CG2 4.06Å; L841-I1001 HydrophobicContact CB-CD1 4.23Å; L841-I1001 HydrophobicContact CD2-CD1 3.83Å; D997-I1001 VanDerWaalsContact O-CG1 3.31Å; D997-I1001 WeakPolarHBondContact O-CG1 3.31Å; D997-I1001 PolarHBondContact O-N 3.21Å; A998-I1001 PolarHBondContact O-N 3.27Å; Y999-I1001 PolarHBondContact O-N 3.04Å; I1001-R1003 VanDerWaalsContact C-N 3.32Å; I1001-R1003 PolarHBondContact O-N 3.03Å; I1001-K1004 PolarHBondContact O-N 2.79Å; I1001-N1005 PolarHBondContact O-N 3.16Å; I1001-N1005 PolarHBondContact O-ND2 3Å |
| 1002 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 176.5 | -64.4 | -168.4 | 0 | 0 | 0 | 111.9 | M832 W836 V919 V923 A998 Y999 L1000 N1005 G1006 F1009 L1037 | M832-L1002 HydrophobicContact CB-CD2 3.93Å; M832-L1002 HydrophobicContact CE-CD1 3.72Å; M832-L1002 HydrophobicContact CG-CD1 4.02Å; M832-L1002 HydrophobicContact CG-CD2 3.68Å; M832-L1002 HydrophobicContact SD-CD1 3.75Å; W836-L1002 HydrophobicContact CH2-CD1 4.49Å; W836-L1002 HydrophobicContact CZ2-CD1 3.63Å; W836-L1002 HydrophobicContact CZ2-CD2 4Å; W836-L1002 HydrophobicContact CZ2-CG 3.86Å; V919-L1002 HydrophobicContact CG1-CD1 3.94Å; V923-L1002 HydrophobicContact CB-CD1 4.43Å; V923-L1002 HydrophobicContact CG1-CD1 4.47Å; V923-L1002 HydrophobicContact CG2-CD1 4.07Å; A998-L1002 WeakPolarHBondContact O-CG 3.44Å; A998-L1002 PolarHBondContact O-N 3.05Å; Y999-L1002 PolarHBondContact O-N 2.86Å; L1000-L1002 PolarHBondContact O-N 2.93Å; L1002-N1005 CarbonylContact O-C 3.56Å; L1002-N1005 PolarHBondContact O-N 3.27Å; L1002-N1005 VanDerWaalsContact O-N 3.1Å; L1002-G1006 PolarHBondContact O-N 3.23Å; L1002-G1006 VanDerWaalsContact O-N 3.15Å; L1002-F1009 HydrophobicContact CB-CE2 4.22Å; L1002-F1009 HydrophobicContact CD2-CE2 4.01Å; L1002-F1009 HydrophobicContact CD2-CZ 3.83Å; L1002-L1037 HydrophobicContact CB-CD2 4.11Å |
| 1003 | R | 95.6 | Very high | 95.6 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 10% | 0.098 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 178.9 | -171.7 | -178.8 | 158.3 | -77.5 | 4.9 | 112.2 | Y999 L1000 I1001 N1005 G1006 L1037 L1039 K1041 D1043 | Y999-R1003 WeakPolarHBondContact O-CB 3.49Å; Y999-R1003 PolarHBondContact O-N 3.17Å; L1000-R1003 PolarHBondContact O-N 3.29Å; I1001-R1003 VanDerWaalsContact C-N 3.32Å; I1001-R1003 PolarHBondContact O-N 3.03Å; R1003-N1005 PolarHBondContact O-N 3.33Å; R1003-N1005 VanDerWaalsContact O-N 3.16Å; R1003-G1006 PolarHBondContact O-N 3.42Å; R1003-L1037 HydrophobicContact CB-CD2 4.3Å; R1003-L1037 WeakPolarHBondContact CD-O 3.32Å; R1003-L1037 HydrophobicContact CG-CB 4.42Å; R1003-L1037 VanDerWaalsContact CG-O 3.28Å; R1003-L1037 WeakPolarHBondContact CG-O 3.47Å; R1003-L1037 PolarHBondContact NE-O 3.11Å; R1003-L1039 HydrophobicContact CG-CD2 3.84Å; R1003-K1041 PolarHBondContact NH2-O 2.86Å; R1003-D1043 IonicContact CZ-OD1 3.69Å; R1003-D1043 IonicContact NH1-OD1 2.75Å; R1003-D1043 PolarHBondContact NH1-OD1 2.99Å; R1003-D1043 IonicContact NH1-OD2 2.63Å; R1003-D1043 IonicContact NH2-OD1 2.84Å; R1003-D1043 PolarHBondContact NH2-OD1 2.94Å |
| 1004 | K | 93.8 | Very high | 95.4 | Very high | 144 Ų | 144 | 24.3 Ų | 24.3 | 63% | 0.626 | 12% | 0.118 | S | C | * | . | H | α-helix | trans | -55.8 | -29.9 | 173.6 | -177.5 | -178.3 | 171.7 | -169.9 | 0 | 112.3 | E839 L1000 I1001 | E839-K1004 IonicContact OE1-NZ 3.56Å; E839-K1004 PolarHBondContact OE1-NZ 3.36Å; L1000-K1004 PolarHBondContact O-N 3.04Å; I1001-K1004 PolarHBondContact O-N 2.79Å |
| 1005 | N | 94.3 | Very high | 95.2 | Very high | 33 Ų | 33 | 21.5 Ų | 21.5 | 18% | 0.176 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 16.9 | 178.9 | -66 | -80.7 | 0 | 0 | 0 | 113.4 | L835 I1001 L1002 R1003 N1007 L1008 F1009 | L835-N1005 HydrophobicContact CD1-CB 3.73Å; L835-N1005 HydrophobicContact CD2-CB 4.48Å; I1001-N1005 PolarHBondContact O-N 3.16Å; I1001-N1005 PolarHBondContact O-ND2 3Å; L1002-N1005 CarbonylContact O-C 3.56Å; L1002-N1005 PolarHBondContact O-N 3.27Å; L1002-N1005 VanDerWaalsContact O-N 3.1Å; R1003-N1005 PolarHBondContact O-N 3.33Å; R1003-N1005 VanDerWaalsContact O-N 3.16Å; N1005-N1007 VanDerWaalsContact C-N 3.28Å; N1005-N1007 PolarHBondContact O-N 3.14Å; N1005-L1008 WeakPolarHBondContact O-CB 3.28Å; N1005-L1008 PolarHBondContact O-N 3.11Å; N1005-F1009 HydrophobicContact CB-CE2 4.27Å; N1005-F1009 WeakPolarHBondContact O-CD2 3.32Å; N1005-F1009 PolarHBondContact O-N 3.39Å |
| 1006 | G | 93.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.2 | -37.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1002 R1003 L1008 F1009 I1010 | L1002-G1006 PolarHBondContact O-N 3.23Å; L1002-G1006 VanDerWaalsContact O-N 3.15Å; R1003-G1006 PolarHBondContact O-N 3.42Å; G1006-L1008 VanDerWaalsContact C-N 3.3Å; G1006-L1008 PolarHBondContact O-N 3.12Å; G1006-F1009 PolarHBondContact O-N 3.32Å; G1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; G1006-I1010 PolarHBondContact O-N 3.44Å |
| 1007 | N | 90.3 | Very high | 94.6 | Very high | 76 Ų | 76 | 22.3 Ų | 22.3 | 41% | 0.406 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -62.9 | -35.8 | 178.5 | -67.3 | -12.2 | 0 | 0 | 0 | 112.4 | P549 N1005 I1010 T1011 | P549-N1007 VanDerWaalsContact CD-CG 3.46Å; P549-N1007 WeakPolarHBondContact CD-OD1 3.35Å; P549-N1007 HydrophobicContact CG-CB 4.17Å; N1005-N1007 VanDerWaalsContact C-N 3.28Å; N1005-N1007 PolarHBondContact O-N 3.14Å; N1007-I1010 PolarHBondContact O-N 3.17Å; N1007-T1011 WeakPolarHBondContact O-CB 3.16Å; N1007-T1011 PolarHBondContact O-N 2.77Å; N1007-T1011 PolarHBondContact O-OG1 2.88Å |
| 1008 | L | 94.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 20.9 Ų | 20.9 | 8% | 0.079 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.5 | -45.8 | 176.5 | 177.9 | 61.5 | 0 | 0 | 0 | 110.7 | R607 L610 Y641 L831 N1005 G1006 I1010 T1011 L1012 | R607-L1008 HydrophobicContact CB-CD1 4.32Å; L610-L1008 HydrophobicContact CD1-CD1 4.1Å; Y641-L1008 HydrophobicContact CE1-CD1 4.35Å; L831-L1008 HydrophobicContact CD1-CD2 4.15Å; L831-L1008 HydrophobicContact CD2-CD2 3.93Å; L831-L1008 HydrophobicContact CD2-CG 4.25Å; N1005-L1008 WeakPolarHBondContact O-CB 3.28Å; N1005-L1008 PolarHBondContact O-N 3.11Å; G1006-L1008 VanDerWaalsContact C-N 3.3Å; G1006-L1008 PolarHBondContact O-N 3.12Å; L1008-I1010 PolarHBondContact O-N 3.1Å; L1008-T1011 PolarHBondContact O-N 3.07Å; L1008-L1012 HydrophobicContact CD1-CD1 4.11Å; L1008-L1012 HydrophobicContact CD1-CG 4.1Å; L1008-L1012 HydrophobicContact CG-CD1 4.04Å; L1008-L1012 HydrophobicContact CG-CG 4.43Å; L1008-L1012 VanDerWaalsContact O-CG 3.27Å; L1008-L1012 WeakPolarHBondContact O-CG 3.5Å; L1008-L1012 PolarHBondContact O-N 2.94Å |
| 1009 | F | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 176.1 | -66.8 | -67.3 | 0 | 0 | 0 | 111.3 | I828 L831 M832 L835 L1002 N1005 G1006 T1011 L1012 F1013 L1037 | I828-F1009 HydrophobicContact CG2-CD1 3.87Å; I828-F1009 HydrophobicContact CG2-CE1 3.77Å; L831-F1009 HydrophobicContact CD2-CD1 4.28Å; L831-F1009 HydrophobicContact CD2-CE1 3.84Å; L831-F1009 HydrophobicContact CD2-CZ 4.47Å; L831-F1009 HydrophobicContact CG-CE1 4.23Å; M832-F1009 HydrophobicContact CE-CE1 4.02Å; M832-F1009 HydrophobicContact CE-CZ 4.17Å; M832-F1009 HydrophobicContact CG-CE1 3.91Å; M832-F1009 HydrophobicContact CG-CZ 3.77Å; L835-F1009 HydrophobicContact CD1-CE2 4.01Å; L835-F1009 HydrophobicContact CD1-CZ 3.69Å; L1002-F1009 HydrophobicContact CB-CE2 4.22Å; L1002-F1009 HydrophobicContact CD2-CE2 4.01Å; L1002-F1009 HydrophobicContact CD2-CZ 3.83Å; N1005-F1009 HydrophobicContact CB-CE2 4.27Å; N1005-F1009 WeakPolarHBondContact O-CD2 3.32Å; N1005-F1009 PolarHBondContact O-N 3.39Å; G1006-F1009 PolarHBondContact O-N 3.32Å; F1009-T1011 VanDerWaalsContact C-N 3.29Å; F1009-T1011 PolarHBondContact O-N 2.67Å; F1009-L1012 PolarHBondContact O-N 2.95Å; F1009-F1013 VanDerWaalsContact O-CD2 3.29Å; F1009-F1013 WeakPolarHBondContact O-CD2 3.21Å; F1009-F1013 PolarHBondContact O-N 2.86Å; F1009-L1037 HydrophobicContact CD2-CD1 4.45Å |
| 1010 | I | 92.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -54.1 | -48.5 | 175.8 | -74.9 | 174.3 | 0 | 0 | 0 | 111 | L550 G1006 N1007 L1008 F1013 A1014 I1030 K1034 L1039 | L550-I1010 HydrophobicContact CD1-CD1 4.26Å; L550-I1010 HydrophobicContact CD1-CG1 4.41Å; L550-I1010 HydrophobicContact CD1-CG2 3.81Å; L550-I1010 HydrophobicContact CD2-CG2 4.09Å; L550-I1010 HydrophobicContact CG-CG2 3.59Å; G1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; G1006-I1010 PolarHBondContact O-N 3.44Å; N1007-I1010 PolarHBondContact O-N 3.17Å; L1008-I1010 PolarHBondContact O-N 3.1Å; I1010-F1013 PolarHBondContact O-N 2.91Å; I1010-A1014 WeakPolarHBondContact O-CB 3.49Å; I1010-A1014 PolarHBondContact O-N 3.09Å; I1010-I1030 HydrophobicContact CG1-CG2 4.37Å; I1010-I1030 HydrophobicContact CG2-CG2 4.32Å; I1010-K1034 HydrophobicContact CD1-CB 4.41Å; I1010-L1039 HydrophobicContact CD1-CD1 3.45Å; I1010-L1039 VanDerWaalsContact CD1-CD1 3.45Å |
| 1011 | T | 93.7 | Very high | 91.9 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 6% | 0.061 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60 | -50.5 | 179.7 | -60.1 | 0 | 0 | 0 | 0 | 111 | L610 E611 N1007 L1008 F1009 F1013 A1014 L1015 | L610-T1011 HydrophobicContact CB-CG2 4Å; E611-T1011 HydrophobicContact CB-CG2 4.06Å; N1007-T1011 WeakPolarHBondContact O-CB 3.16Å; N1007-T1011 PolarHBondContact O-N 2.77Å; N1007-T1011 PolarHBondContact O-OG1 2.88Å; L1008-T1011 PolarHBondContact O-N 3.07Å; F1009-T1011 VanDerWaalsContact C-N 3.29Å; F1009-T1011 PolarHBondContact O-N 2.67Å; T1011-F1013 VanDerWaalsContact C-N 3.3Å; T1011-F1013 PolarHBondContact O-N 2.89Å; T1011-A1014 WeakPolarHBondContact O-CB 3.48Å; T1011-A1014 PolarHBondContact O-N 3.47Å; T1011-A1014 VanDerWaalsContact O-N 3.08Å; T1011-L1015 HydrophobicContact CG2-CD1 4.33Å; T1011-L1015 HydrophobicContact CG2-CG 4.42Å; T1011-L1015 WeakPolarHBondContact O-CG 3.26Å; T1011-L1015 PolarHBondContact O-N 3.37Å |
| 1012 | L | 95.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.6 | -37.6 | -178.8 | -66.8 | 172.9 | 0 | 0 | 0 | 112.7 | L610 Y641 Q644 I828 L831 L1008 F1009 M1016 | L610-L1012 HydrophobicContact CD1-CD2 4.17Å; Y641-L1012 HydrophobicContact CD1-CD1 4.08Å; Y641-L1012 HydrophobicContact CD1-CD2 3.53Å; Y641-L1012 HydrophobicContact CD1-CG 4.44Å; Y641-L1012 HydrophobicContact CE1-CD1 3.96Å; Y641-L1012 HydrophobicContact CE1-CD2 4.12Å; Y641-L1012 HydrophobicContact CG-CD2 4.3Å; Q644-L1012 HydrophobicContact CB-CD2 4.41Å; Q644-L1012 HydrophobicContact CG-CB 4.22Å; Q644-L1012 HydrophobicContact CG-CD2 3.82Å; Q644-L1012 WeakPolarHBondContact CG-O 3.18Å; I828-L1012 HydrophobicContact CD1-CB 4.31Å; I828-L1012 HydrophobicContact CD1-CD1 4.04Å; L831-L1012 HydrophobicContact CD2-CD1 3.33Å; L1008-L1012 HydrophobicContact CD1-CD1 4.11Å; L1008-L1012 HydrophobicContact CD1-CG 4.1Å; L1008-L1012 HydrophobicContact CG-CD1 4.04Å; L1008-L1012 HydrophobicContact CG-CG 4.43Å; L1008-L1012 VanDerWaalsContact O-CG 3.27Å; L1008-L1012 WeakPolarHBondContact O-CG 3.5Å; L1008-L1012 PolarHBondContact O-N 2.94Å; F1009-L1012 PolarHBondContact O-N 2.95Å; L1012-M1016 VanDerWaalsContact O-CG 3.29Å; L1012-M1016 WeakPolarHBondContact O-CG 3.21Å; L1012-M1016 PolarHBondContact O-N 3.08Å |
| 1013 | F | 94.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72.2 | -35.5 | 174.1 | -84 | -94.2 | 0 | 0 | 0 | 112.2 | L824 I828 L924 I950 L951 F1009 I1010 T1011 M1016 L1024 I1030 L1033 | L824-F1013 HydrophobicContact CD2-CD1 4.33Å; L824-F1013 HydrophobicContact CD2-CE1 3.99Å; I828-F1013 HydrophobicContact CD1-CD2 4.48Å; I828-F1013 HydrophobicContact CD1-CE2 3.99Å; I828-F1013 HydrophobicContact CG1-CE2 3.82Å; I828-F1013 HydrophobicContact CG1-CZ 4.13Å; I828-F1013 HydrophobicContact CG2-CE2 4.35Å; L924-F1013 HydrophobicContact CD2-CE2 4.06Å; L924-F1013 HydrophobicContact CD2-CZ 3.94Å; I950-F1013 HydrophobicContact CD1-CE1 4.19Å; L951-F1013 HydrophobicContact CD1-CD1 3.97Å; L951-F1013 HydrophobicContact CD1-CE1 4Å; L951-F1013 HydrophobicContact CD2-CD1 4.32Å; L951-F1013 HydrophobicContact CD2-CE1 3.97Å; L951-F1013 HydrophobicContact CD2-CZ 4.4Å; L951-F1013 HydrophobicContact CG-CE1 4.22Å; F1009-F1013 VanDerWaalsContact O-CD2 3.29Å; F1009-F1013 WeakPolarHBondContact O-CD2 3.21Å; F1009-F1013 PolarHBondContact O-N 2.86Å; I1010-F1013 PolarHBondContact O-N 2.91Å; T1011-F1013 VanDerWaalsContact C-N 3.3Å; T1011-F1013 PolarHBondContact O-N 2.89Å; F1013-M1016 PolarHBondContact O-N 3.16Å; F1013-M1016 VanDerWaalsContact O-N 3.13Å; F1013-L1024 HydrophobicContact CD1-CD1 4.24Å; F1013-L1024 HydrophobicContact CD1-CD2 3.87Å; F1013-I1030 HydrophobicContact CB-CD1 4.36Å; F1013-I1030 HydrophobicContact CB-CG1 4.22Å; F1013-I1030 HydrophobicContact CB-CG2 4.22Å; F1013-L1033 HydrophobicContact CB-CD1 4.14Å; F1013-L1033 HydrophobicContact CD1-CD1 4.3Å; F1013-L1033 HydrophobicContact CD2-CD1 3.4Å; F1013-L1033 HydrophobicContact CE2-CD1 3.76Å; F1013-L1033 HydrophobicContact CG-CD1 3.69Å; F1013-L1033 HydrophobicContact CZ-CD1 4.37Å |
| 1014 | A | 91.7 | Very high | 89.9 | Confident | 9 Ų | 9 | 24.5 Ų | 24.5 | 7% | 0.074 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1010 T1011 M1016 L1017 I1030 | I1010-A1014 WeakPolarHBondContact O-CB 3.49Å; I1010-A1014 PolarHBondContact O-N 3.09Å; T1011-A1014 WeakPolarHBondContact O-CB 3.48Å; T1011-A1014 PolarHBondContact O-N 3.47Å; T1011-A1014 VanDerWaalsContact O-N 3.08Å; A1014-M1016 PolarHBondContact O-N 3.28Å; A1014-M1016 VanDerWaalsContact O-N 3.13Å; A1014-L1017 WeakPolarHBondContact O-CB 3.46Å; A1014-L1017 WeakPolarHBondContact O-CG 3.45Å; A1014-L1017 PolarHBondContact O-N 2.77Å; A1014-L1017 VanDerWaalsContact O-N 3.12Å; A1014-I1030 HydrophobicContact CB-CD1 3.99Å |
| 1015 | L | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.9 | -19.6 | 175.9 | -61.1 | -177.8 | 0 | 0 | 0 | 113.2 | L610 L613 D614 Q644 V648 T1011 | L610-L1015 HydrophobicContact CB-CD1 4.39Å; L613-L1015 HydrophobicContact CB-CD2 4.49Å; D614-L1015 HydrophobicContact CB-CD2 3.87Å; Q644-L1015 HydrophobicContact CB-CB 3.93Å; Q644-L1015 HydrophobicContact CB-CD1 3.99Å; Q644-L1015 HydrophobicContact CG-CB 4.13Å; V648-L1015 HydrophobicContact CG2-CB 4.28Å; V648-L1015 HydrophobicContact CG2-CD1 4.22Å; V648-L1015 HydrophobicContact CG2-CD2 3.81Å; V648-L1015 HydrophobicContact CG2-CG 4.3Å; T1011-L1015 HydrophobicContact CG2-CD1 4.33Å; T1011-L1015 HydrophobicContact CG2-CG 4.42Å; T1011-L1015 WeakPolarHBondContact O-CG 3.26Å; T1011-L1015 PolarHBondContact O-N 3.37Å |
| 1016 | M | 93.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -5 | 178.3 | -69.3 | -62.8 | -64.9 | 0 | 0 | 114.3 | L643 Q644 Q647 L824 L1012 F1013 A1014 T1018 A1019 L1021 L1024 | L643-M1016 HydrophobicContact CD2-CE 3.9Å; L643-M1016 HydrophobicContact CD2-SD 4.29Å; L643-M1016 HydrophobicContact CG-CE 3.99Å; L643-M1016 HydrophobicContact CG-SD 3.97Å; Q644-M1016 HydrophobicContact CG-CG 3.93Å; Q644-M1016 HydrophobicContact CG-SD 3.99Å; Q647-M1016 HydrophobicContact CB-SD 4.31Å; Q647-M1016 HydrophobicContact CG-CE 4.05Å; Q647-M1016 HydrophobicContact CG-SD 3.56Å; Q647-M1016 VanDerWaalsContact CG-SD 3.56Å; L824-M1016 HydrophobicContact CD1-CE 4.35Å; L824-M1016 HydrophobicContact CD1-CG 3.92Å; L824-M1016 HydrophobicContact CD1-SD 4.45Å; L824-M1016 HydrophobicContact CD2-CB 4.41Å; L824-M1016 HydrophobicContact CD2-CE 4.31Å; L824-M1016 HydrophobicContact CD2-CG 4.19Å; L1012-M1016 VanDerWaalsContact O-CG 3.29Å; L1012-M1016 WeakPolarHBondContact O-CG 3.21Å; L1012-M1016 PolarHBondContact O-N 3.08Å; F1013-M1016 PolarHBondContact O-N 3.16Å; F1013-M1016 VanDerWaalsContact O-N 3.13Å; A1014-M1016 PolarHBondContact O-N 3.28Å; A1014-M1016 VanDerWaalsContact O-N 3.13Å; M1016-T1018 VanDerWaalsContact C-N 3.25Å; M1016-T1018 PolarHBondContact O-N 3.27Å; M1016-A1019 HydrophobicContact CE-CB 3.79Å; M1016-A1019 WeakPolarHBondContact O-CB 3.28Å; M1016-A1019 PolarHBondContact O-N 3.39Å; M1016-L1021 HydrophobicContact CE-CD1 4.09Å; M1016-L1024 HydrophobicContact CB-CD2 3.51Å |
| 1017 | L | 86.9 | Confident | 88 | Confident | 22 Ų | 22 | 23.8 Ų | 23.8 | 12% | 0.115 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -57.8 | -35.1 | -176.9 | -77.7 | 168.2 | 0 | 0 | 0 | 113.3 | F615 A1014 A1019 L1024 S1026 V1027 I1030 | F615-L1017 HydrophobicContact CE1-CD1 3.71Å; F615-L1017 HydrophobicContact CZ-CD1 4.27Å; A1014-L1017 WeakPolarHBondContact O-CB 3.46Å; A1014-L1017 WeakPolarHBondContact O-CG 3.45Å; A1014-L1017 PolarHBondContact O-N 2.77Å; A1014-L1017 VanDerWaalsContact O-N 3.12Å; L1017-A1019 VanDerWaalsContact C-N 3.31Å; L1017-A1019 PolarHBondContact O-N 3.39Å; L1017-L1024 HydrophobicContact CD2-CD1 3.87Å; L1017-L1024 HydrophobicContact CD2-CG 4.07Å; L1017-S1026 VanDerWaalsContact CD2-C 3.45Å; L1017-S1026 WeakPolarHBondContact CD2-O 3.22Å; L1017-V1027 HydrophobicContact CD1-CG2 3.98Å; L1017-I1030 HydrophobicContact CD1-CD1 3.74Å; L1017-I1030 HydrophobicContact CD2-CD1 4.16Å; L1017-I1030 HydrophobicContact CG-CD1 3.98Å |
| 1018 | T | 80.1 | Confident | 87.5 | Confident | 30 Ų | 30 | 26 Ų | 26 | 18% | 0.184 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -79.8 | -5.8 | 176.2 | 42.3 | 0 | 0 | 0 | 0 | 115.5 | I479 R650 Y651 M1016 G1020 | I479-T1018 HydrophobicContact CG2-CG2 4.03Å; R650-T1018 PolarHBondContact NH1-O 2.85Å; Y651-T1018 HydrophobicContact CD1-CG2 3.92Å; Y651-T1018 HydrophobicContact CE1-CG2 3.07Å; Y651-T1018 VanDerWaalsContact CZ-CG2 3.47Å; Y651-T1018 VanDerWaalsContact CZ-OG1 3.23Å; Y651-T1018 WeakPolarHBondContact OH-CG2 3.4Å; Y651-T1018 PolarHBondContact OH-OG1 3.06Å; M1016-T1018 VanDerWaalsContact C-N 3.25Å; M1016-T1018 PolarHBondContact O-N 3.27Å; T1018-G1020 PolarHBondContact O-N 2.78Å |
| 1019 | A | 86.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -63.5 | -22.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q647 R820 M1016 L1017 L1021 | Q647-A1019 HydrophobicContact CG-CB 4.08Å; R820-A1019 PolarHBondContact NH1-O 2.6Å; M1016-A1019 HydrophobicContact CE-CB 3.79Å; M1016-A1019 WeakPolarHBondContact O-CB 3.28Å; M1016-A1019 PolarHBondContact O-N 3.39Å; L1017-A1019 VanDerWaalsContact C-N 3.31Å; L1017-A1019 PolarHBondContact O-N 3.39Å; A1019-L1021 HydrophobicContact CB-CG 4.05Å |
| 1020 | G | 82.1 | Confident | 86.8 | Confident | 51 Ų | 51 | 26.6 Ų | 26.6 | 53% | 0.526 | 16% | 0.162 | S | C | . | . | trans | 69.8 | 41.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R820 T1018 | R820-G1020 PolarHBondContact NH2-O 3Å; T1018-G1020 PolarHBondContact O-N 2.78Å | ||
| 1021 | L | 86.4 | Confident | 86.5 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -75.1 | 140.2 | 172.3 | -64.9 | 178.5 | 0 | 0 | 0 | 109.3 | R820 Q821 L824 M1016 A1019 E1023 L1024 | R820-L1021 HydrophobicContact CB-CD2 3.56Å; Q821-L1021 HydrophobicContact CB-CD2 4.46Å; L824-L1021 HydrophobicContact CD2-CD1 3.66Å; M1016-L1021 HydrophobicContact CE-CD1 4.09Å; A1019-L1021 HydrophobicContact CB-CG 4.05Å; L1021-E1023 PolarHBondContact O-N 3.43Å; L1021-E1023 VanDerWaalsContact O-N 3.14Å; L1021-L1024 HydrophobicContact CB-CB 4.17Å; L1021-L1024 HydrophobicContact CD1-CD2 4.35Å; L1021-L1024 PolarHBondContact O-N 2.9Å |
| 1022 | P | 78.1 | Confident | 86.4 | Confident | 90 Ų | 90 | 31.5 Ų | 31.5 | 58% | 0.584 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -27.7 | -175.2 | -25.9 | 34.8 | 0 | 0 | 0 | 115.2 | ||
| 1023 | E | 84.9 | Confident | 86.2 | Confident | 23 Ų | 23 | 31.5 Ų | 31.5 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 10.3 | -172.8 | -65.8 | -171.2 | 167 | 0 | 0 | 113.6 | Q821 H949 I950 N953 L1021 | Q821-E1023 PolarHBondContact NE2-OE2 3.27Å; H949-E1023 WeakPolarHBondContact CA-OE2 3.35Å; H949-E1023 IonicContact CE1-OE1 2.65Å; H949-E1023 PolarHBondContact CE1-OE1 2.82Å; H949-E1023 IonicContact CG-OE1 2.97Å; H949-E1023 IonicContact ND1-OE1 3.21Å; H949-E1023 PolarHBondContact ND1-OE1 3.49Å; I950-E1023 HydrophobicContact CG1-CB 4.38Å; I950-E1023 PolarHBondContact N-OE2 3.42Å; N953-E1023 HydrophobicContact CB-CG 4.1Å; N953-E1023 WeakPolarHBondContact ND2-CB 3.39Å; L1021-E1023 PolarHBondContact O-N 3.43Å; L1021-E1023 VanDerWaalsContact O-N 3.14Å |
| 1024 | L | 86.8 | Confident | 85.9 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -136.4 | 82.1 | 172.6 | 179.4 | 63.9 | 0 | 0 | 0 | 107.6 | L824 L951 F1013 M1016 L1017 L1021 D1029 I1030 | L824-L1024 HydrophobicContact CD2-CD2 4.27Å; L951-L1024 HydrophobicContact CD1-CB 4.46Å; L951-L1024 HydrophobicContact CD1-CD1 3.84Å; F1013-L1024 HydrophobicContact CD1-CD1 4.24Å; F1013-L1024 HydrophobicContact CD1-CD2 3.87Å; M1016-L1024 HydrophobicContact CB-CD2 3.51Å; L1017-L1024 HydrophobicContact CD2-CD1 3.87Å; L1017-L1024 HydrophobicContact CD2-CG 4.07Å; L1021-L1024 HydrophobicContact CB-CB 4.17Å; L1021-L1024 HydrophobicContact CD1-CD2 4.35Å; L1021-L1024 PolarHBondContact O-N 2.9Å; L1024-D1029 HydrophobicContact CD1-CB 4.16Å; L1024-I1030 HydrophobicContact CD1-CD1 4.32Å; L1024-I1030 HydrophobicContact CD1-CG1 3.69Å |
| 1025 | T | 79.8 | Confident | 85.9 | Confident | 82 Ų | 82 | 37.1 Ų | 37.1 | 50% | 0.503 | 21% | 0.21 | S | C | . | . | trans | -113.7 | -24.9 | -171.1 | 62.9 | 0 | 0 | 0 | 0 | 112.5 | D1029 | T1025-D1029 PolarHBondContact N-OD2 2.86Å; T1025-D1029 PolarHBondContact OG1-OD2 3.4Å | ||
| 1026 | S | 80.1 | Confident | 85.8 | Confident | 18 Ų | 18 | 37.4 Ų | 37.4 | 13% | 0.126 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -148.3 | 169.7 | 178.4 | 85 | 0 | 0 | 0 | 0 | 112.9 | E471 L1017 K1028 D1029 | E471-S1026 WeakPolarHBondContact OE2-CB 3.33Å; E471-S1026 PolarHBondContact OE2-OG 2.89Å; L1017-S1026 VanDerWaalsContact CD2-C 3.45Å; L1017-S1026 WeakPolarHBondContact CD2-O 3.22Å; S1026-K1028 PolarHBondContact O-N 2.97Å; S1026-K1028 VanDerWaalsContact O-N 3.15Å; S1026-K1028 WeakPolarHBondContact OG-CB 3.41Å; S1026-K1028 PolarHBondContact OG-N 2.93Å; S1026-K1028 VanDerWaalsContact OG-N 3.13Å; S1026-D1029 PolarHBondContact N-OD2 3.41Å; S1026-D1029 WeakPolarHBondContact O-CB 3.46Å; S1026-D1029 PolarHBondContact O-N 2.91Å |
| 1027 | V | 81.9 | Confident | 85.8 | Confident | 63 Ų | 63 | 37.3 Ų | 37.3 | 38% | 0.382 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59 | -23.8 | 174.1 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | L550 F615 L1017 D1029 I1030 Q1031 | L550-V1027 HydrophobicContact CD1-CG1 4.49Å; L550-V1027 HydrophobicContact CD2-CG1 3.72Å; F615-V1027 HydrophobicContact CZ-CG2 4.34Å; L1017-V1027 HydrophobicContact CD1-CG2 3.98Å; V1027-D1029 VanDerWaalsContact C-N 3.3Å; V1027-D1029 PolarHBondContact O-N 2.93Å; V1027-I1030 WeakPolarHBondContact O-CB 3.15Å; V1027-I1030 PolarHBondContact O-N 2.99Å; V1027-Q1031 PolarHBondContact O-N 2.81Å; V1027-Q1031 VanDerWaalsContact O-N 3.12Å |
| 1028 | K | 81.2 | Confident | 86 | Confident | 121 Ų | 121 | 36.6 Ų | 36.6 | 53% | 0.526 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66 | -32.5 | 175.7 | -63.5 | 179.9 | -176.2 | 162.7 | 0 | 112.3 | S1026 I1030 Q1031 | S1026-K1028 PolarHBondContact O-N 2.97Å; S1026-K1028 VanDerWaalsContact O-N 3.15Å; S1026-K1028 WeakPolarHBondContact OG-CB 3.41Å; S1026-K1028 PolarHBondContact OG-N 2.93Å; S1026-K1028 VanDerWaalsContact OG-N 3.13Å; K1028-I1030 VanDerWaalsContact C-N 3.28Å; K1028-I1030 PolarHBondContact O-N 2.93Å; K1028-Q1031 VanDerWaalsContact O-CB 3.25Å; K1028-Q1031 WeakPolarHBondContact O-CB 3.4Å; K1028-Q1031 PolarHBondContact O-N 2.89Å |
| 1029 | D | 85.1 | Confident | 86.5 | Confident | 28 Ų | 28 | 36.7 Ų | 36.7 | 15% | 0.15 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.6 | -37.7 | 175.5 | -60 | -44.1 | 0 | 0 | 0 | 110.3 | L951 L1024 T1025 S1026 V1027 Q1031 Y1032 | L951-D1029 HydrophobicContact CD1-CB 4.07Å; L1024-D1029 HydrophobicContact CD1-CB 4.16Å; T1025-D1029 PolarHBondContact N-OD2 2.86Å; T1025-D1029 PolarHBondContact OG1-OD2 3.4Å; S1026-D1029 PolarHBondContact N-OD2 3.41Å; S1026-D1029 WeakPolarHBondContact O-CB 3.46Å; S1026-D1029 PolarHBondContact O-N 2.91Å; V1027-D1029 VanDerWaalsContact C-N 3.3Å; V1027-D1029 PolarHBondContact O-N 2.93Å; D1029-Q1031 VanDerWaalsContact C-N 3.31Å; D1029-Q1031 PolarHBondContact O-N 3.23Å; D1029-Y1032 WeakPolarHBondContact O-CB 3.46Å; D1029-Y1032 PolarHBondContact O-N 3.21Å |
| 1030 | I | 88.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.4 | -29.1 | 177.9 | -49.3 | 176.7 | 0 | 0 | 0 | 111.6 | L550 I1010 F1013 A1014 L1017 L1024 V1027 K1028 Y1032 L1033 | L550-I1030 HydrophobicContact CD1-CB 4.35Å; L550-I1030 HydrophobicContact CD1-CG2 3.91Å; I1010-I1030 HydrophobicContact CG1-CG2 4.37Å; I1010-I1030 HydrophobicContact CG2-CG2 4.32Å; F1013-I1030 HydrophobicContact CB-CD1 4.36Å; F1013-I1030 HydrophobicContact CB-CG1 4.22Å; F1013-I1030 HydrophobicContact CB-CG2 4.22Å; A1014-I1030 HydrophobicContact CB-CD1 3.99Å; L1017-I1030 HydrophobicContact CD1-CD1 3.74Å; L1017-I1030 HydrophobicContact CD2-CD1 4.16Å; L1017-I1030 HydrophobicContact CG-CD1 3.98Å; L1024-I1030 HydrophobicContact CD1-CD1 4.32Å; L1024-I1030 HydrophobicContact CD1-CG1 3.69Å; V1027-I1030 WeakPolarHBondContact O-CB 3.15Å; V1027-I1030 PolarHBondContact O-N 2.99Å; K1028-I1030 VanDerWaalsContact C-N 3.28Å; K1028-I1030 PolarHBondContact O-N 2.93Å; I1030-Y1032 PolarHBondContact O-N 2.88Å; I1030-L1033 HydrophobicContact CG2-CD1 4.37Å; I1030-L1033 WeakPolarHBondContact O-CB 3.4Å; I1030-L1033 PolarHBondContact O-N 2.91Å |
| 1031 | Q | 87.1 | Confident | 86.8 | Confident | 66 Ų | 66 | 42.2 Ų | 42.2 | 31% | 0.308 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -54.9 | -28 | 176.1 | -174 | 59.4 | 49.3 | 0 | 0 | 112.2 | V1027 K1028 D1029 L1033 K1034 D1035 | V1027-Q1031 PolarHBondContact O-N 2.81Å; V1027-Q1031 VanDerWaalsContact O-N 3.12Å; K1028-Q1031 VanDerWaalsContact O-CB 3.25Å; K1028-Q1031 WeakPolarHBondContact O-CB 3.4Å; K1028-Q1031 PolarHBondContact O-N 2.89Å; D1029-Q1031 VanDerWaalsContact C-N 3.31Å; D1029-Q1031 PolarHBondContact O-N 3.23Å; Q1031-L1033 VanDerWaalsContact C-N 3.27Å; Q1031-L1033 PolarHBondContact O-N 2.77Å; Q1031-K1034 WeakPolarHBondContact O-CB 3.22Å; Q1031-K1034 PolarHBondContact O-N 2.98Å; Q1031-K1034 VanDerWaalsContact O-N 3.16Å; Q1031-D1035 PolarHBondContact NE2-OD1 3.21Å; Q1031-D1035 PolarHBondContact O-N 3.02Å |
| 1032 | Y | 90.5 | Very high | 87 | Confident | 49 Ų | 49 | 45.8 Ų | 45.8 | 19% | 0.192 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54.4 | -42.7 | 173.1 | -174.3 | -85.1 | 0 | 0 | 0 | 112.6 | G925 L951 D1029 I1030 D1035 S1036 | G925-Y1032 VanDerWaalsContact CA-CZ 3.48Å; G925-Y1032 VanDerWaalsContact CA-OH 3.24Å; G925-Y1032 WeakPolarHBondContact CA-OH 3.37Å; L951-Y1032 WeakPolarHBondContact O-CD2 3.39Å; D1029-Y1032 WeakPolarHBondContact O-CB 3.46Å; D1029-Y1032 PolarHBondContact O-N 3.21Å; I1030-Y1032 PolarHBondContact O-N 2.88Å; Y1032-D1035 PolarHBondContact O-N 2.99Å; Y1032-S1036 WeakPolarHBondContact O-CB 3.15Å; Y1032-S1036 PolarHBondContact O-N 2.7Å; Y1032-S1036 PolarHBondContact O-OG 2.92Å |
| 1033 | L | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -40 | 179.6 | -65.6 | 172.4 | 0 | 0 | 0 | 111.6 | V923 L924 L951 F1013 I1030 Q1031 D1035 S1036 L1037 | V923-L1033 HydrophobicContact CG1-CD2 4.38Å; V923-L1033 WeakPolarHBondContact O-CD2 3.34Å; L924-L1033 HydrophobicContact CD2-CD2 4.07Å; L951-L1033 HydrophobicContact CD2-CD1 4.14Å; L951-L1033 HydrophobicContact CD2-CD2 3.87Å; L951-L1033 HydrophobicContact CD2-CG 3.73Å; F1013-L1033 HydrophobicContact CB-CD1 4.14Å; F1013-L1033 HydrophobicContact CD1-CD1 4.3Å; F1013-L1033 HydrophobicContact CD2-CD1 3.4Å; F1013-L1033 HydrophobicContact CE2-CD1 3.76Å; F1013-L1033 HydrophobicContact CG-CD1 3.69Å; F1013-L1033 HydrophobicContact CZ-CD1 4.37Å; I1030-L1033 HydrophobicContact CG2-CD1 4.37Å; I1030-L1033 WeakPolarHBondContact O-CB 3.4Å; I1030-L1033 PolarHBondContact O-N 2.91Å; Q1031-L1033 VanDerWaalsContact C-N 3.27Å; Q1031-L1033 PolarHBondContact O-N 2.77Å; L1033-D1035 VanDerWaalsContact C-N 3.3Å; L1033-D1035 PolarHBondContact O-N 3.47Å; L1033-S1036 PolarHBondContact O-N 2.85Å; L1033-S1036 PolarHBondContact O-OG 2.86Å; L1033-L1037 VanDerWaalsContact O-CB 3.29Å; L1033-L1037 WeakPolarHBondContact O-CB 3.37Å; L1033-L1037 WeakPolarHBondContact O-CG 3.49Å; L1033-L1037 PolarHBondContact O-N 2.87Å |
| 1034 | K | 89.6 | Confident | 88 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 14% | 0.143 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 176.3 | 177.6 | 165.4 | 177.5 | 168.7 | 0 | 111.3 | D548 S551 I1010 Q1031 A1038 L1039 | D548-K1034 WeakPolarHBondContact OD1-CD 3.33Å; D548-K1034 WeakPolarHBondContact OD1-CE 3.32Å; D548-K1034 IonicContact OD1-NZ 3.67Å; D548-K1034 PolarHBondContact OD1-NZ 3.28Å; D548-K1034 VanDerWaalsContact OD2-CE 3.26Å; D548-K1034 WeakPolarHBondContact OD2-CE 3.4Å; D548-K1034 IonicContact OD2-NZ 2.93Å; D548-K1034 PolarHBondContact OD2-NZ 2.88Å; S551-K1034 PolarHBondContact OG-NZ 2.94Å; I1010-K1034 HydrophobicContact CD1-CB 4.41Å; Q1031-K1034 WeakPolarHBondContact O-CB 3.22Å; Q1031-K1034 PolarHBondContact O-N 2.98Å; Q1031-K1034 VanDerWaalsContact O-N 3.16Å; K1034-A1038 WeakPolarHBondContact O-CA 3.15Å; K1034-A1038 PolarHBondContact O-N 2.59Å; K1034-L1039 HydrophobicContact CG-CB 4.35Å; K1034-L1039 PolarHBondContact O-N 2.83Å |
| 1035 | D | 90.3 | Very high | 88.4 | Confident | 97 Ų | 97 | 56 Ų | 56 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -73.5 | -40.7 | 179.3 | -66.4 | -7.7 | 0 | 0 | 0 | 112.2 | Q1031 Y1032 L1033 A1038 | Q1031-D1035 PolarHBondContact NE2-OD1 3.21Å; Q1031-D1035 PolarHBondContact O-N 3.02Å; Y1032-D1035 PolarHBondContact O-N 2.99Å; L1033-D1035 VanDerWaalsContact C-N 3.3Å; L1033-D1035 PolarHBondContact O-N 3.47Å; D1035-A1038 PolarHBondContact O-N 3.35Å |
| 1036 | S | 91.6 | Very high | 89.1 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.5 | -39.5 | 179.6 | 71.9 | 0 | 0 | 0 | 0 | 112.1 | Y922 V923 Y999 Y1032 L1033 A1038 | Y922-S1036 PolarHBondContact OH-O 3.02Å; V923-S1036 PolarHBondContact O-OG 3.24Å; Y999-S1036 WeakPolarHBondContact CE2-O 3.45Å; Y999-S1036 PolarHBondContact OH-O 2.83Å; Y1032-S1036 WeakPolarHBondContact O-CB 3.15Å; Y1032-S1036 PolarHBondContact O-N 2.7Å; Y1032-S1036 PolarHBondContact O-OG 2.92Å; L1033-S1036 PolarHBondContact O-N 2.85Å; L1033-S1036 PolarHBondContact O-OG 2.86Å; S1036-A1038 VanDerWaalsContact C-N 3.3Å |
| 1037 | L | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -6.4 | 173.6 | -66.5 | 173.2 | 0 | 0 | 0 | 113.4 | V923 Y999 L1002 R1003 F1009 L1033 L1039 | V923-L1037 HydrophobicContact CB-CD2 4.45Å; V923-L1037 HydrophobicContact CG1-CD1 4.33Å; V923-L1037 HydrophobicContact CG1-CD2 3.8Å; V923-L1037 HydrophobicContact CG1-CG 4Å; V923-L1037 HydrophobicContact CG2-CD2 3.75Å; Y999-L1037 HydrophobicContact CE2-CD2 4.23Å; Y999-L1037 VanDerWaalsContact OH-C 3.28Å; Y999-L1037 PolarHBondContact OH-O 2.65Å; L1002-L1037 HydrophobicContact CB-CD2 4.11Å; R1003-L1037 HydrophobicContact CB-CD2 4.3Å; R1003-L1037 WeakPolarHBondContact CD-O 3.32Å; R1003-L1037 HydrophobicContact CG-CB 4.42Å; R1003-L1037 VanDerWaalsContact CG-O 3.28Å; R1003-L1037 WeakPolarHBondContact CG-O 3.47Å; R1003-L1037 PolarHBondContact NE-O 3.11Å; F1009-L1037 HydrophobicContact CD2-CD1 4.45Å; L1033-L1037 VanDerWaalsContact O-CB 3.29Å; L1033-L1037 WeakPolarHBondContact O-CB 3.37Å; L1033-L1037 WeakPolarHBondContact O-CG 3.49Å; L1033-L1037 PolarHBondContact O-N 2.87Å; L1037-L1039 VanDerWaalsContact C-N 3.27Å; L1037-L1039 HydrophobicContact CB-CD2 3.78Å; L1037-L1039 HydrophobicContact CB-CG 3.91Å; L1037-L1039 HydrophobicContact CD1-CD2 4.46Å; L1037-L1039 PolarHBondContact O-N 3.26Å |
| 1038 | A | 92.4 | Very high | 90.5 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 45.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1034 D1035 S1036 G1040 K1041 A1046 | K1034-A1038 WeakPolarHBondContact O-CA 3.15Å; K1034-A1038 PolarHBondContact O-N 2.59Å; D1035-A1038 PolarHBondContact O-N 3.35Å; S1036-A1038 VanDerWaalsContact C-N 3.3Å; A1038-G1040 PolarHBondContact O-N 3.41Å; A1038-G1040 VanDerWaalsContact O-N 3.12Å; A1038-K1041 HydrophobicContact CB-CD 4.27Å; A1038-K1041 HydrophobicContact CB-CG 4.5Å; A1038-K1041 PolarHBondContact O-N 3.15Å; A1038-A1046 HydrophobicContact CB-CB 3.89Å |
| 1039 | L | 88.8 | Confident | 91 | Very high | 31 Ų | 31 | 52.9 Ų | 52.9 | 16% | 0.162 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.5 | -173.4 | -60 | 178.6 | 0 | 0 | 0 | 113.8 | R1003 I1010 K1034 L1037 K1041 | R1003-L1039 HydrophobicContact CG-CD2 3.84Å; I1010-L1039 HydrophobicContact CD1-CD1 3.45Å; I1010-L1039 VanDerWaalsContact CD1-CD1 3.45Å; K1034-L1039 HydrophobicContact CG-CB 4.35Å; K1034-L1039 PolarHBondContact O-N 2.83Å; L1037-L1039 VanDerWaalsContact C-N 3.27Å; L1037-L1039 HydrophobicContact CB-CD2 3.78Å; L1037-L1039 HydrophobicContact CB-CG 3.91Å; L1037-L1039 HydrophobicContact CD1-CD2 4.46Å; L1037-L1039 PolarHBondContact O-N 3.26Å; L1039-K1041 VanDerWaalsContact C-N 3.28Å; L1039-K1041 PolarHBondContact O-N 3.25Å |
| 1040 | G | 85.5 | Confident | 91.4 | Very high | 73 Ų | 73 | 51.6 Ų | 51.6 | 75% | 0.753 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 5.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1038 | A1038-G1040 PolarHBondContact O-N 3.41Å; A1038-G1040 VanDerWaalsContact O-N 3.12Å |
| 1041 | K | 89.1 | Confident | 91.7 | Very high | 96 Ų | 96 | 56.3 Ų | 56.3 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -118.8 | 162.9 | -179.2 | -62.9 | -172.2 | 179.7 | 179 | 0 | 111 | R1003 A1038 L1039 E1045 | R1003-K1041 PolarHBondContact NH2-O 2.86Å; A1038-K1041 HydrophobicContact CB-CD 4.27Å; A1038-K1041 HydrophobicContact CB-CG 4.5Å; A1038-K1041 PolarHBondContact O-N 3.15Å; L1039-K1041 VanDerWaalsContact C-N 3.28Å; L1039-K1041 PolarHBondContact O-N 3.25Å; K1041-E1045 HydrophobicContact CB-CB 4.02Å; K1041-E1045 HydrophobicContact CD-CB 4.27Å |
| 1042 | T | 90.8 | Very high | 91.9 | Very high | 78 Ų | 78 | 58.4 Ų | 58.4 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | trans | -68.5 | 161.3 | 169.5 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | D1044 E1045 A1046 | T1042-D1044 VanDerWaalsContact C-N 3.3Å; T1042-D1044 PolarHBondContact O-N 2.93Å; T1042-E1045 PolarHBondContact N-OE2 3.47Å; T1042-E1045 PolarHBondContact O-N 2.83Å; T1042-E1045 WeakPolarHBondContact OG1-CB 3.36Å; T1042-E1045 VanDerWaalsContact OG1-CD 3.24Å; T1042-E1045 WeakPolarHBondContact OG1-CG 3.49Å; T1042-E1045 PolarHBondContact OG1-N 2.82Å; T1042-E1045 PolarHBondContact OG1-OE2 3.09Å; T1042-A1046 WeakPolarHBondContact O-CB 3.06Å; T1042-A1046 PolarHBondContact O-N 2.91Å | ||
| 1043 | D | 91.6 | Very high | 91.9 | Very high | 90 Ų | 90 | 58.9 Ų | 58.9 | 48% | 0.481 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57 | -43 | -179.3 | -68.1 | 29.9 | 0 | 0 | 0 | 111.8 | R1003 A1046 L1047 | R1003-D1043 IonicContact CZ-OD1 3.69Å; R1003-D1043 IonicContact NH1-OD1 2.75Å; R1003-D1043 PolarHBondContact NH1-OD1 2.99Å; R1003-D1043 IonicContact NH1-OD2 2.63Å; R1003-D1043 IonicContact NH2-OD1 2.84Å; R1003-D1043 PolarHBondContact NH2-OD1 2.94Å; D1043-A1046 PolarHBondContact O-N 2.94Å; D1043-L1047 VanDerWaalsContact O-CB 3.27Å; D1043-L1047 WeakPolarHBondContact O-CB 3.35Å; D1043-L1047 PolarHBondContact O-N 2.95Å |
| 1044 | D | 93.8 | Very high | 91.8 | Very high | 135 Ų | 135 | 58.9 Ų | 58.9 | 72% | 0.722 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.8 | -41.5 | 178.4 | -72.8 | -30.3 | 0 | 0 | 0 | 112.7 | T1042 K1048 | T1042-D1044 VanDerWaalsContact C-N 3.3Å; T1042-D1044 PolarHBondContact O-N 2.93Å; D1044-K1048 VanDerWaalsContact O-CB 3.3Å; D1044-K1048 WeakPolarHBondContact O-CB 3.35Å; D1044-K1048 PolarHBondContact O-N 2.95Å |
| 1045 | E | 95.3 | Very high | 91.8 | Very high | 104 Ų | 104 | 59.7 Ų | 59.7 | 49% | 0.486 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.8 | -41.2 | 178.3 | -71.7 | 171.3 | 141.6 | 0 | 0 | 112 | K1041 T1042 K1048 Q1049 | K1041-E1045 HydrophobicContact CB-CB 4.02Å; K1041-E1045 HydrophobicContact CD-CB 4.27Å; T1042-E1045 PolarHBondContact N-OE2 3.47Å; T1042-E1045 PolarHBondContact O-N 2.83Å; T1042-E1045 WeakPolarHBondContact OG1-CB 3.36Å; T1042-E1045 VanDerWaalsContact OG1-CD 3.24Å; T1042-E1045 WeakPolarHBondContact OG1-CG 3.49Å; T1042-E1045 PolarHBondContact OG1-N 2.82Å; T1042-E1045 PolarHBondContact OG1-OE2 3.09Å; E1045-K1048 PolarHBondContact O-N 2.74Å; E1045-Q1049 PolarHBondContact O-N 2.87Å |
| 1046 | A | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63 | -46.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y999 A1038 T1042 D1043 K1048 Q1049 F1050 | Y999-A1046 HydrophobicContact CE1-CB 4.3Å; A1038-A1046 HydrophobicContact CB-CB 3.89Å; T1042-A1046 WeakPolarHBondContact O-CB 3.06Å; T1042-A1046 PolarHBondContact O-N 2.91Å; D1043-A1046 PolarHBondContact O-N 2.94Å; A1046-K1048 VanDerWaalsContact C-N 3.35Å; A1046-K1048 PolarHBondContact O-N 2.78Å; A1046-Q1049 WeakPolarHBondContact O-CB 3.45Å; A1046-Q1049 PolarHBondContact O-N 2.95Å; A1046-F1050 PolarHBondContact O-N 2.97Å |
| 1047 | L | 95.5 | Very high | 91.3 | Very high | 19 Ų | 19 | 56.9 Ų | 56.9 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 176.4 | -176.7 | 61.7 | 0 | 0 | 0 | 111.8 | E996 L1000 D1043 Q1049 F1050 R1051 | E996-L1047 HydrophobicContact CB-CD1 3.81Å; E996-L1047 HydrophobicContact CG-CD1 3.81Å; L1000-L1047 HydrophobicContact CD1-CD1 4.38Å; L1000-L1047 HydrophobicContact CD1-CD2 4.32Å; L1000-L1047 HydrophobicContact CD2-CB 4.4Å; L1000-L1047 HydrophobicContact CG-CD1 4.45Å; D1043-L1047 VanDerWaalsContact O-CB 3.27Å; D1043-L1047 WeakPolarHBondContact O-CB 3.35Å; D1043-L1047 PolarHBondContact O-N 2.95Å; L1047-Q1049 VanDerWaalsContact C-N 3.33Å; L1047-Q1049 PolarHBondContact O-N 3Å; L1047-F1050 PolarHBondContact O-N 2.82Å; L1047-R1051 WeakPolarHBondContact O-CB 3.31Å; L1047-R1051 VanDerWaalsContact O-CG 3.31Å; L1047-R1051 WeakPolarHBondContact O-CG 3.43Å; L1047-R1051 PolarHBondContact O-N 2.87Å |
| 1048 | K | 95.1 | Very high | 90.8 | Very high | 155 Ų | 155 | 59.5 Ų | 59.5 | 67% | 0.674 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.1 | -41.8 | 175.3 | -176.3 | 177.3 | 179 | -179.4 | 0 | 111.9 | D1044 E1045 A1046 Q1052 | D1044-K1048 VanDerWaalsContact O-CB 3.3Å; D1044-K1048 WeakPolarHBondContact O-CB 3.35Å; D1044-K1048 PolarHBondContact O-N 2.95Å; E1045-K1048 PolarHBondContact O-N 2.74Å; A1046-K1048 VanDerWaalsContact C-N 3.35Å; A1046-K1048 PolarHBondContact O-N 2.78Å; K1048-Q1052 PolarHBondContact O-N 2.84Å; K1048-Q1052 VanDerWaalsContact O-N 3.08Å |
| 1049 | Q | 92.5 | Very high | 90.4 | Very high | 44 Ų | 44 | 67.6 Ų | 67.6 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64 | -44.7 | 174 | 173.9 | -179.5 | -29.9 | 0 | 0 | 111.6 | E1045 A1046 L1047 Q1052 K1053 | E1045-Q1049 PolarHBondContact O-N 2.87Å; A1046-Q1049 WeakPolarHBondContact O-CB 3.45Å; A1046-Q1049 PolarHBondContact O-N 2.95Å; L1047-Q1049 VanDerWaalsContact C-N 3.33Å; L1047-Q1049 PolarHBondContact O-N 3Å; Q1049-Q1052 WeakPolarHBondContact O-CB 3.39Å; Q1049-Q1052 PolarHBondContact O-N 2.82Å; Q1049-K1053 WeakPolarHBondContact O-CG 3.49Å; Q1049-K1053 PolarHBondContact O-N 2.85Å |
| 1050 | F | 93.6 | Very high | 90 | Very high | 1 Ų | 1 | 69.6 Ų | 69.6 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 177.6 | 179.2 | -102.4 | 0 | 0 | 0 | 111.6 | V919 Y922 F967 C995 E996 Y999 A1046 L1047 Q1052 K1053 F1054 | V919-F1050 HydrophobicContact CG2-CZ 4Å; Y922-F1050 HydrophobicContact CD1-CD2 4.1Å; Y922-F1050 AromaticContact CD1-CE2 3.93Å; Y922-F1050 HydrophobicContact CD1-CE2 3.93Å; Y922-F1050 AromaticContact CE1-CD2 3.85Å; Y922-F1050 HydrophobicContact CE1-CD2 3.85Å; Y922-F1050 HydrophobicContact CE1-CE2 4.18Å; F967-F1050 HydrophobicContact CD2-CE2 4.4Å; F967-F1050 HydrophobicContact CE2-CE2 4.23Å; F967-F1050 HydrophobicContact CE2-CZ 4.02Å; C995-F1050 HydrophobicContact CB-CE1 4.1Å; C995-F1050 HydrophobicContact CB-CZ 4.13Å; E996-F1050 HydrophobicContact CG-CD1 4.31Å; E996-F1050 HydrophobicContact CG-CE1 4.28Å; Y999-F1050 HydrophobicContact CD1-CB 3.91Å; Y999-F1050 HydrophobicContact CD1-CD1 4.33Å; Y999-F1050 HydrophobicContact CD1-CD2 4.23Å; Y999-F1050 AromaticContact CD1-CG 3.89Å; Y999-F1050 HydrophobicContact CD1-CG 3.89Å; Y999-F1050 AromaticContact CD2-CD2 3.71Å; Y999-F1050 HydrophobicContact CD2-CD2 3.71Å; Y999-F1050 HydrophobicContact CD2-CE2 4.04Å; Y999-F1050 HydrophobicContact CD2-CG 4.23Å; Y999-F1050 HydrophobicContact CE1-CB 3.8Å; Y999-F1050 HydrophobicContact CE1-CG 4.23Å; Y999-F1050 HydrophobicContact CE2-CD2 4.04Å; Y999-F1050 HydrophobicContact CG-CB 4.35Å; Y999-F1050 HydrophobicContact CG-CD1 4.28Å; Y999-F1050 AromaticContact CG-CD2 3.8Å; Y999-F1050 HydrophobicContact CG-CD2 3.8Å; Y999-F1050 HydrophobicContact CG-CE2 4.16Å; Y999-F1050 AromaticContact CG-CG 3.87Å; Y999-F1050 HydrophobicContact CG-CG 3.87Å; A1046-F1050 PolarHBondContact O-N 2.97Å; L1047-F1050 PolarHBondContact O-N 2.82Å; F1050-Q1052 VanDerWaalsContact C-N 3.31Å; F1050-Q1052 PolarHBondContact O-N 3.4Å; F1050-K1053 WeakPolarHBondContact O-CA 3.13Å; F1050-K1053 WeakPolarHBondContact O-CB 3.46Å; F1050-K1053 PolarHBondContact O-N 3.08Å; F1050-F1054 PolarHBondContact O-N 2.86Å |
| 1051 | R | 93.5 | Very high | 89.6 | Confident | 98 Ų | 98 | 66.7 Ų | 66.7 | 37% | 0.37 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.7 | -43.9 | 173.4 | -77.4 | 177.1 | 172.8 | 159.6 | 3.3 | 112.3 | E996 L1047 K1053 F1054 D1055 | E996-R1051 HydrophobicContact CG-CG 4.47Å; E996-R1051 VanDerWaalsContact OE1-CG 3.24Å; E996-R1051 WeakPolarHBondContact OE1-CG 3.38Å; E996-R1051 IonicContact OE1-CZ 2.74Å; E996-R1051 IonicContact OE1-NE 3.58Å; E996-R1051 PolarHBondContact OE1-NE 2.96Å; E996-R1051 IonicContact OE1-NH2 3.84Å; E996-R1051 IonicContact OE2-CZ 3.88Å; E996-R1051 VanDerWaalsContact OE2-CZ 3.27Å; E996-R1051 IonicContact OE2-NE 2.91Å; E996-R1051 PolarHBondContact OE2-NE 3.11Å; E996-R1051 IonicContact OE2-NH2 3.59Å; E996-R1051 PolarHBondContact OE2-NH2 2.92Å; L1047-R1051 WeakPolarHBondContact O-CB 3.31Å; L1047-R1051 VanDerWaalsContact O-CG 3.31Å; L1047-R1051 WeakPolarHBondContact O-CG 3.43Å; L1047-R1051 PolarHBondContact O-N 2.87Å; R1051-K1053 VanDerWaalsContact C-N 3.33Å; R1051-K1053 PolarHBondContact O-N 2.81Å; R1051-F1054 WeakPolarHBondContact O-CB 3.37Å; R1051-F1054 PolarHBondContact O-N 3.05Å; R1051-D1055 WeakPolarHBondContact O-CB 3.35Å; R1051-D1055 VanDerWaalsContact O-CG 3.24Å; R1051-D1055 PolarHBondContact O-N 3.21Å |
| 1052 | Q | 91.4 | Very high | 88.8 | Confident | 110 Ų | 110 | 67.7 Ų | 67.7 | 51% | 0.514 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 175.3 | -178.1 | -174.5 | -12.2 | 0 | 0 | 111.6 | K1048 Q1049 F1050 D1055 E1056 | K1048-Q1052 PolarHBondContact O-N 2.84Å; K1048-Q1052 VanDerWaalsContact O-N 3.08Å; Q1049-Q1052 WeakPolarHBondContact O-CB 3.39Å; Q1049-Q1052 PolarHBondContact O-N 2.82Å; F1050-Q1052 VanDerWaalsContact C-N 3.31Å; F1050-Q1052 PolarHBondContact O-N 3.4Å; Q1052-D1055 PolarHBondContact O-N 2.87Å; Q1052-E1056 WeakPolarHBondContact CG-OE1 3.46Å; Q1052-E1056 PolarHBondContact NE2-OE1 2.79Å; Q1052-E1056 WeakPolarHBondContact O-CB 3.5Å; Q1052-E1056 VanDerWaalsContact O-CG 3.29Å; Q1052-E1056 WeakPolarHBondContact O-CG 3.25Å; Q1052-E1056 PolarHBondContact O-N 2.89Å |
| 1053 | K | 89.9 | Confident | 87.9 | Confident | 59 Ų | 59 | 67.2 Ų | 67.2 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 177.8 | -70.9 | -73.8 | 161.5 | -149.5 | 0 | 112.4 | P966 Q1049 F1050 R1051 E1056 A1057 | P966-K1053 HydrophobicContact CG-CD 4.38Å; Q1049-K1053 WeakPolarHBondContact O-CG 3.49Å; Q1049-K1053 PolarHBondContact O-N 2.85Å; F1050-K1053 WeakPolarHBondContact O-CA 3.13Å; F1050-K1053 WeakPolarHBondContact O-CB 3.46Å; F1050-K1053 PolarHBondContact O-N 3.08Å; R1051-K1053 VanDerWaalsContact C-N 3.33Å; R1051-K1053 PolarHBondContact O-N 2.81Å; K1053-E1056 IonicContact NZ-OE2 3.62Å; K1053-E1056 PolarHBondContact NZ-OE2 2.78Å; K1053-E1056 PolarHBondContact O-N 3.33Å; K1053-A1057 PolarHBondContact O-N 2.76Å |
| 1054 | F | 90 | Very high | 86.9 | Confident | 1 Ų | 1 | 64 Ų | 64 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61 | -48.9 | 173.2 | -175.3 | -81.7 | 0 | 0 | 0 | 111.3 | F967 L969 F988 F991 R992 C995 F1050 R1051 E1056 A1057 L1058 | F967-F1054 AromaticContact CE1-CD2 3.71Å; F967-F1054 HydrophobicContact CE1-CD2 3.71Å; F967-F1054 HydrophobicContact CE1-CE2 4.02Å; F967-F1054 HydrophobicContact CE1-CG 4.48Å; F967-F1054 HydrophobicContact CE2-CD2 4.13Å; F967-F1054 AromaticContact CZ-CD2 3.38Å; F967-F1054 HydrophobicContact CZ-CD2 3.38Å; F967-F1054 AromaticContact CZ-CE2 3.72Å; F967-F1054 HydrophobicContact CZ-CE2 3.72Å; F967-F1054 HydrophobicContact CZ-CG 4.44Å; L969-F1054 HydrophobicContact CD2-CZ 4.27Å; F988-F1054 HydrophobicContact CE1-CE1 4.3Å; F988-F1054 HydrophobicContact CZ-CE1 4.03Å; F988-F1054 HydrophobicContact CZ-CZ 4.03Å; F991-F1054 HydrophobicContact CD1-CE2 4.19Å; F991-F1054 AromaticContact CD1-CZ 3.89Å; F991-F1054 HydrophobicContact CD1-CZ 3.89Å; F991-F1054 AromaticContact CE1-CE2 3.62Å; F991-F1054 HydrophobicContact CE1-CE2 3.62Å; F991-F1054 AromaticContact CE1-CZ 3.63Å; F991-F1054 HydrophobicContact CE1-CZ 3.63Å; F991-F1054 HydrophobicContact CZ-CE2 4.44Å; R992-F1054 HydrophobicContact CB-CE1 4.38Å; R992-F1054 HydrophobicContact CB-CZ 4.12Å; R992-F1054 HydrophobicContact CG-CE1 4.18Å; R992-F1054 HydrophobicContact CG-CZ 4.26Å; C995-F1054 HydrophobicContact CB-CE2 4.33Å; F1050-F1054 PolarHBondContact O-N 2.86Å; R1051-F1054 WeakPolarHBondContact O-CB 3.37Å; R1051-F1054 PolarHBondContact O-N 3.05Å; F1054-E1056 VanDerWaalsContact C-N 3.34Å; F1054-E1056 PolarHBondContact O-N 2.75Å; F1054-A1057 PolarHBondContact O-N 3.41Å; F1054-L1058 PolarHBondContact O-N 2.88Å |
| 1055 | D | 88.9 | Confident | 85.9 | Confident | 49 Ų | 49 | 57.9 Ų | 57.9 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67 | -33.9 | 179.7 | -65.5 | -31.9 | 0 | 0 | 0 | 111.8 | R992 R1051 Q1052 L1058 R1059 | R992-D1055 IonicContact CZ-OD1 3.72Å; R992-D1055 IonicContact NH1-OD1 3.94Å; R992-D1055 PolarHBondContact NH1-OD1 3.41Å; R992-D1055 IonicContact NH1-OD2 3.67Å; R992-D1055 IonicContact NH2-OD1 2.68Å; R992-D1055 IonicContact NH2-OD2 3.11Å; R992-D1055 PolarHBondContact NH2-OD2 3.25Å; R1051-D1055 WeakPolarHBondContact O-CB 3.35Å; R1051-D1055 VanDerWaalsContact O-CG 3.24Å; R1051-D1055 PolarHBondContact O-N 3.21Å; Q1052-D1055 PolarHBondContact O-N 2.87Å; D1055-L1058 PolarHBondContact O-N 3.39Å; D1055-R1059 WeakPolarHBondContact O-CG 3.27Å; D1055-R1059 PolarHBondContact O-N 2.85Å; D1055-R1059 VanDerWaalsContact O-N 3.12Å |
| 1056 | E | 86.5 | Confident | 84.7 | Confident | 42 Ų | 42 | 55.5 Ų | 55.5 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 170.2 | -78.6 | 169.4 | -168.7 | 0 | 0 | 111.6 | Q1052 K1053 F1054 L1058 R1059 E1060 | Q1052-E1056 WeakPolarHBondContact CG-OE1 3.46Å; Q1052-E1056 PolarHBondContact NE2-OE1 2.79Å; Q1052-E1056 WeakPolarHBondContact O-CB 3.5Å; Q1052-E1056 VanDerWaalsContact O-CG 3.29Å; Q1052-E1056 WeakPolarHBondContact O-CG 3.25Å; Q1052-E1056 PolarHBondContact O-N 2.89Å; K1053-E1056 IonicContact NZ-OE2 3.62Å; K1053-E1056 PolarHBondContact NZ-OE2 2.78Å; K1053-E1056 PolarHBondContact O-N 3.33Å; F1054-E1056 VanDerWaalsContact C-N 3.34Å; F1054-E1056 PolarHBondContact O-N 2.75Å; E1056-L1058 VanDerWaalsContact C-N 3.33Å; E1056-L1058 PolarHBondContact O-N 2.8Å; E1056-R1059 PolarHBondContact O-N 2.96Å; E1056-E1060 PolarHBondContact O-N 3.49Å |
| 1057 | A | 84.6 | Confident | 83.6 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V965 F967 K1053 F1054 R1059 E1060 S1061 | V965-A1057 HydrophobicContact CG1-CB 3.94Å; F967-A1057 HydrophobicContact CB-CB 3.94Å; F967-A1057 HydrophobicContact CD1-CB 3.41Å; F967-A1057 VanDerWaalsContact CD1-CB 3.41Å; F967-A1057 HydrophobicContact CE1-CB 4.32Å; F967-A1057 HydrophobicContact CG-CB 4.08Å; F967-A1057 WeakPolarHBondContact O-CB 3.4Å; K1053-A1057 PolarHBondContact O-N 2.76Å; F1054-A1057 PolarHBondContact O-N 3.41Å; A1057-R1059 VanDerWaalsContact C-N 3.34Å; A1057-R1059 PolarHBondContact O-N 3.47Å; A1057-E1060 CarbonylContact O-C 3.41Å; A1057-E1060 PolarHBondContact O-N 3.31Å; A1057-S1061 PolarHBondContact O-N 2.83Å |
| 1058 | L | 84.1 | Confident | 82.4 | Confident | 56 Ų | 56 | 59 Ų | 59 | 29% | 0.293 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 174.2 | -175.2 | 59.8 | 0 | 0 | 0 | 111.4 | L969 I974 F988 F1054 D1055 E1056 E1060 S1061 | L969-L1058 HydrophobicContact CD2-CD1 4.22Å; I974-L1058 HydrophobicContact CD1-CD1 3.4Å; I974-L1058 HydrophobicContact CG1-CD1 4.36Å; F988-L1058 HydrophobicContact CE1-CD2 4.03Å; F988-L1058 HydrophobicContact CZ-CD1 3.8Å; F988-L1058 HydrophobicContact CZ-CD2 4.05Å; F1054-L1058 PolarHBondContact O-N 2.88Å; D1055-L1058 PolarHBondContact O-N 3.39Å; E1056-L1058 VanDerWaalsContact C-N 3.33Å; E1056-L1058 PolarHBondContact O-N 2.8Å; L1058-E1060 VanDerWaalsContact C-N 3.35Å; L1058-S1061 WeakPolarHBondContact O-CB 3.32Å; L1058-S1061 PolarHBondContact O-N 2.89Å; L1058-S1061 PolarHBondContact O-OG 2.75Å |
| 1059 | R | 83.8 | Confident | 81 | Confident | 176 Ų | 176 | 53.9 Ų | 53.9 | 66% | 0.664 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.2 | -37.2 | 174.6 | -71.7 | -171.9 | -64.2 | -103.9 | 4.7 | 112.6 | D1055 E1056 A1057 | D1055-R1059 WeakPolarHBondContact O-CG 3.27Å; D1055-R1059 PolarHBondContact O-N 2.85Å; D1055-R1059 VanDerWaalsContact O-N 3.12Å; E1056-R1059 PolarHBondContact O-N 2.96Å; A1057-R1059 VanDerWaalsContact C-N 3.34Å; A1057-R1059 PolarHBondContact O-N 3.47Å |
| 1060 | E | 80.4 | Confident | 79.5 | Confident | 74 Ų | 74 | 54.3 Ų | 54.3 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -89.5 | 3.7 | -179.8 | -67.7 | -160.7 | -160.9 | 0 | 0 | 114.3 | V965 E1056 A1057 L1058 W1062 T1063 T1064 | V965-E1060 HydrophobicContact CG2-CB 4.01Å; V965-E1060 HydrophobicContact CG2-CG 4.17Å; V965-E1060 WeakPolarHBondContact CG2-OE2 3.37Å; E1056-E1060 PolarHBondContact O-N 3.49Å; A1057-E1060 CarbonylContact O-C 3.41Å; A1057-E1060 PolarHBondContact O-N 3.31Å; L1058-E1060 VanDerWaalsContact C-N 3.35Å; E1060-W1062 VanDerWaalsContact C-N 3.26Å; E1060-W1062 PolarHBondContact O-N 2.71Å; E1060-W1062 VanDerWaalsContact O-N 3.16Å; E1060-T1063 WeakPolarHBondContact CA-OG1 3.31Å; E1060-T1063 WeakPolarHBondContact CB-OG1 3.4Å; E1060-T1063 PolarHBondContact O-N 3.4Å; E1060-T1063 PolarHBondContact O-OG1 3.45Å; E1060-T1064 PolarHBondContact O-N 3.04Å; E1060-T1064 PolarHBondContact O-OG1 2.8Å |
| 1061 | S | 77.3 | Confident | 78.1 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.2 | -35 | -175.6 | 61 | 0 | 0 | 0 | 0 | 113.9 | L969 A1057 L1058 K1065 | L969-S1061 WeakPolarHBondContact O-CA 3.37Å; L969-S1061 VanDerWaalsContact O-CB 3.25Å; L969-S1061 WeakPolarHBondContact O-CB 3.25Å; A1057-S1061 PolarHBondContact O-N 2.83Å; L1058-S1061 WeakPolarHBondContact O-CB 3.32Å; L1058-S1061 PolarHBondContact O-N 2.89Å; L1058-S1061 PolarHBondContact O-OG 2.75Å; S1061-K1065 PolarHBondContact O-N 3.42Å |
| 1062 | W | 71.1 | Confident | 76.6 | Confident | 116 Ų | 116 | 52.7 Ų | 52.7 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.9 | -41.3 | 173.9 | -178.7 | -106.7 | 0 | 0 | 0 | 112.5 | F885 K887 E1060 T1064 K1065 V1066 | F885-W1062 HydrophobicContact CD1-CH2 4.24Å; F885-W1062 HydrophobicContact CE1-CH2 4.47Å; K887-W1062 VanDerWaalsContact CE-CZ3 3.45Å; E1060-W1062 VanDerWaalsContact C-N 3.26Å; E1060-W1062 PolarHBondContact O-N 2.71Å; E1060-W1062 VanDerWaalsContact O-N 3.16Å; W1062-T1064 VanDerWaalsContact C-N 3.32Å; W1062-T1064 PolarHBondContact O-N 3.12Å; W1062-K1065 HydrophobicContact CE3-CD 4.38Å; W1062-K1065 HydrophobicContact CZ3-CD 4.17Å; W1062-K1065 WeakPolarHBondContact O-CB 3.43Å; W1062-K1065 PolarHBondContact O-N 3.34Å; W1062-V1066 PolarHBondContact O-N 2.99Å; W1062-V1066 VanDerWaalsContact O-N 3.15Å |
| 1063 | T | 72.8 | Confident | 75.1 | Confident | 69 Ų | 69 | 50.6 Ų | 50.6 | 42% | 0.423 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.9 | -35.6 | 178 | 44.2 | 0 | 0 | 0 | 0 | 112.2 | E1060 K1065 V1066 N1067 | E1060-T1063 WeakPolarHBondContact CA-OG1 3.31Å; E1060-T1063 WeakPolarHBondContact CB-OG1 3.4Å; E1060-T1063 PolarHBondContact O-N 3.4Å; E1060-T1063 PolarHBondContact O-OG1 3.45Å; T1063-K1065 VanDerWaalsContact C-N 3.35Å; T1063-K1065 PolarHBondContact O-N 2.85Å; T1063-V1066 PolarHBondContact O-N 3.31Å; T1063-N1067 PolarHBondContact O-N 2.97Å |
| 1064 | T | 71.6 | Confident | 73.5 | Confident | 21 Ų | 21 | 49.5 Ų | 49.5 | 13% | 0.129 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 173.3 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | I968 T970 E1060 W1062 V1066 N1067 W1068 | I968-T1064 HydrophobicContact CG2-CG2 4.46Å; T970-T1064 HydrophobicContact CG2-CG2 4.02Å; E1060-T1064 PolarHBondContact O-N 3.04Å; E1060-T1064 PolarHBondContact O-OG1 2.8Å; W1062-T1064 VanDerWaalsContact C-N 3.32Å; W1062-T1064 PolarHBondContact O-N 3.12Å; T1064-V1066 VanDerWaalsContact C-N 3.35Å; T1064-V1066 PolarHBondContact O-N 2.91Å; T1064-N1067 WeakPolarHBondContact O-CB 3.42Å; T1064-N1067 PolarHBondContact O-N 3.11Å; T1064-W1068 PolarHBondContact O-N 2.84Å |
| 1065 | K | 72.1 | Confident | 71.7 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 3% | 0.03 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 175.1 | -175.4 | 172.5 | -178.9 | 164.3 | 0 | 112.4 | A884 F885 D972 S1061 W1062 T1063 N1067 W1068 M1069 | A884-K1065 WeakPolarHBondContact O-CE 3.25Å; A884-K1065 PolarHBondContact O-NZ 2.83Å; F885-K1065 PolarHBondContact O-NZ 3.31Å; D972-K1065 WeakPolarHBondContact OD1-CE 3.33Å; D972-K1065 IonicContact OD1-NZ 3Å; D972-K1065 PolarHBondContact OD1-NZ 3.13Å; D972-K1065 IonicContact OD2-NZ 3.96Å; D972-K1065 PolarHBondContact OD2-NZ 2.82Å; S1061-K1065 PolarHBondContact O-N 3.42Å; W1062-K1065 HydrophobicContact CE3-CD 4.38Å; W1062-K1065 HydrophobicContact CZ3-CD 4.17Å; W1062-K1065 WeakPolarHBondContact O-CB 3.43Å; W1062-K1065 PolarHBondContact O-N 3.34Å; T1063-K1065 VanDerWaalsContact C-N 3.35Å; T1063-K1065 PolarHBondContact O-N 2.85Å; K1065-N1067 VanDerWaalsContact C-N 3.34Å; K1065-N1067 PolarHBondContact O-N 3.37Å; K1065-W1068 PolarHBondContact O-N 2.95Å; K1065-M1069 PolarHBondContact O-N 2.8Å; K1065-M1069 VanDerWaalsContact O-N 3.13Å |
| 1066 | V | 70.1 | Confident | 69.9 | Low | 54 Ų | 54 | 56.4 Ų | 56.4 | 33% | 0.327 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 176.1 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | W1062 T1063 T1064 M1069 A1070 | W1062-V1066 PolarHBondContact O-N 2.99Å; W1062-V1066 VanDerWaalsContact O-N 3.15Å; T1063-V1066 PolarHBondContact O-N 3.31Å; T1064-V1066 VanDerWaalsContact C-N 3.35Å; T1064-V1066 PolarHBondContact O-N 2.91Å; V1066-M1069 WeakPolarHBondContact O-CB 3.39Å; V1066-M1069 PolarHBondContact O-N 3Å; V1066-A1070 PolarHBondContact O-N 3.02Å |
| 1067 | N | 70.4 | Confident | 67.5 | Low | 79 Ų | 79 | 60.7 Ų | 60.7 | 42% | 0.422 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 175.1 | -73 | -23.4 | 0 | 0 | 0 | 112.3 | T1063 T1064 K1065 M1069 A1070 H1071 | T1063-N1067 PolarHBondContact O-N 2.97Å; T1064-N1067 WeakPolarHBondContact O-CB 3.42Å; T1064-N1067 PolarHBondContact O-N 3.11Å; K1065-N1067 VanDerWaalsContact C-N 3.34Å; K1065-N1067 PolarHBondContact O-N 3.37Å; N1067-M1069 VanDerWaalsContact C-N 3.33Å; N1067-M1069 PolarHBondContact O-N 2.78Å; N1067-A1070 PolarHBondContact O-N 3.46Å; N1067-H1071 PolarHBondContact O-N 3.33Å |
| 1068 | W | 71 | Confident | 65.1 | Low | 13 Ų | 13 | 70.8 Ų | 70.8 | 5% | 0.049 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 174.8 | -70.6 | 9.9 | 0 | 0 | 0 | 111.8 | I869 R929 H930 I934 I968 T970 F973 T1064 K1065 H1071 N1072 | I869-W1068 HydrophobicContact CD1-CH2 4.48Å; I869-W1068 HydrophobicContact CD1-CZ3 4.24Å; R929-W1068 PolarHBondContact O-NE1 2.83Å; H930-W1068 HydrophobicContact CB-CG 4.38Å; I934-W1068 HydrophobicContact CD1-CH2 3.43Å; I934-W1068 VanDerWaalsContact CD1-CH2 3.43Å; I934-W1068 HydrophobicContact CD1-CZ2 3.56Å; I968-W1068 HydrophobicContact CG2-CZ2 3.86Å; T970-W1068 HydrophobicContact CG2-CD2 4.16Å; T970-W1068 HydrophobicContact CG2-CE3 4.05Å; T970-W1068 HydrophobicContact CG2-CH2 3.31Å; T970-W1068 HydrophobicContact CG2-CZ2 3.43Å; T970-W1068 VanDerWaalsContact CG2-CZ2 3.43Å; T970-W1068 HydrophobicContact CG2-CZ3 3.65Å; F973-W1068 HydrophobicContact CE1-CH2 4.45Å; F973-W1068 HydrophobicContact CE2-CH2 4.03Å; F973-W1068 AromaticContact CZ-CH2 3.63Å; F973-W1068 HydrophobicContact CZ-CH2 3.63Å; F973-W1068 HydrophobicContact CZ-CZ3 4.2Å; T1064-W1068 PolarHBondContact O-N 2.84Å; K1065-W1068 PolarHBondContact O-N 2.95Å; W1068-H1071 WeakPolarHBondContact O-CB 3.32Å; W1068-H1071 PolarHBondContact O-N 3.09Å; W1068-N1072 PolarHBondContact O-N 3.16Å; W1068-N1072 VanDerWaalsContact O-N 3.07Å; W1068-N1072 PolarHBondContact O-OD1 2.65Å |
| 1069 | M | 64.7 | Low | 62.5 | Low | 49 Ų | 49 | 73.1 Ų | 73.1 | 24% | 0.241 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 173.4 | -179 | -155.8 | 69.9 | 0 | 0 | 111.9 | A884 F885 K1065 V1066 N1067 H1071 N1072 V1073 | A884-M1069 HydrophobicContact CB-CB 4.33Å; A884-M1069 HydrophobicContact CB-CG 4.37Å; F885-M1069 HydrophobicContact CE1-SD 4.4Å; F885-M1069 HydrophobicContact CE2-CG 4.45Å; F885-M1069 HydrophobicContact CE2-SD 3.35Å; F885-M1069 WeakPolarHBondContact CE2-SD 3.5Å; F885-M1069 HydrophobicContact CZ-CE 4.45Å; F885-M1069 HydrophobicContact CZ-SD 3.28Å; F885-M1069 WeakPolarHBondContact CZ-SD 3.04Å; K1065-M1069 PolarHBondContact O-N 2.8Å; K1065-M1069 VanDerWaalsContact O-N 3.13Å; V1066-M1069 WeakPolarHBondContact O-CB 3.39Å; V1066-M1069 PolarHBondContact O-N 3Å; N1067-M1069 VanDerWaalsContact C-N 3.33Å; N1067-M1069 PolarHBondContact O-N 2.78Å; M1069-H1071 PolarHBondContact O-N 3.12Å; M1069-N1072 PolarHBondContact O-N 2.93Å; M1069-N1072 VanDerWaalsContact O-N 3.09Å; M1069-V1073 HydrophobicContact CG-CG2 4.27Å; M1069-V1073 WeakPolarHBondContact O-CG2 3.27Å; M1069-V1073 PolarHBondContact O-N 2.92Å |
| 1070 | A | 62.3 | Low | 61.4 | Low | 52 Ų | 52 | 68 Ų | 68 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.3 | -30.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1066 N1067 A1074 | V1066-A1070 PolarHBondContact O-N 3.02Å; N1067-A1070 PolarHBondContact O-N 3.46Å; A1070-A1074 VanDerWaalsContact O-CB 3.3Å; A1070-A1074 WeakPolarHBondContact O-CB 3.32Å; A1070-A1074 PolarHBondContact O-N 2.7Å |
| 1071 | H | 63.6 | Low | 60.4 | Low | 41 Ų | 41 | 67.6 Ų | 67.6 | 19% | 0.19 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.3 | -51.6 | 171.3 | -173 | -93.4 | 0 | 0 | 0 | 111.9 | H930 D932 N1067 W1068 M1069 V1073 A1074 K1075 | H930-H1071 AromaticContact CD2-CD2 3.91Å; H930-H1071 AromaticContact CD2-CE1 3.5Å; H930-H1071 PolarHBondContact CD2-CE1 3.21Å; H930-H1071 VanDerWaalsContact CD2-CE1 3.5Å; H930-H1071 AromaticContact CD2-ND1 3.78Å; H930-H1071 AromaticContact CD2-NE2 3.64Å; H930-H1071 AromaticContact CE1-CE1 3.59Å; H930-H1071 AromaticContact CG-CE1 3.82Å; H930-H1071 AromaticContact CG-ND1 3.72Å; H930-H1071 AromaticContact ND1-CE1 3.88Å; H930-H1071 AromaticContact ND1-ND1 3.95Å; H930-H1071 AromaticContact NE2-CE1 3.32Å; H930-H1071 PolarHBondContact NE2-CE1 2.95Å; H930-H1071 VanDerWaalsContact NE2-CE1 3.32Å; H930-H1071 AromaticContact NE2-NE2 3.58Å; D932-H1071 IonicContact OD2-CE1 3.5Å; D932-H1071 IonicContact OD2-ND1 2.69Å; N1067-H1071 PolarHBondContact O-N 3.33Å; W1068-H1071 WeakPolarHBondContact O-CB 3.32Å; W1068-H1071 PolarHBondContact O-N 3.09Å; M1069-H1071 PolarHBondContact O-N 3.12Å; H1071-V1073 PolarHBondContact O-N 2.79Å; H1071-A1074 PolarHBondContact O-N 2.9Å; H1071-A1074 VanDerWaalsContact O-N 3.15Å; H1071-K1075 PolarHBondContact O-N 3.12Å |
| 1072 | N | 62.2 | Low | 59.5 | Low | 24 Ų | 24 | 70.7 Ų | 70.7 | 13% | 0.128 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.5 | -44.2 | -179.1 | -66.3 | 1 | 0 | 0 | 0 | 111.8 | S931 D932 W1068 M1069 A1074 K1075 D1076 | S931-N1072 PolarHBondContact OG-ND2 2.98Å; S931-N1072 VanDerWaalsContact OG-ND2 3.15Å; D932-N1072 PolarHBondContact OD2-OD1 3.21Å; W1068-N1072 PolarHBondContact O-N 3.16Å; W1068-N1072 VanDerWaalsContact O-N 3.07Å; W1068-N1072 PolarHBondContact O-OD1 2.65Å; M1069-N1072 PolarHBondContact O-N 2.93Å; M1069-N1072 VanDerWaalsContact O-N 3.09Å; N1072-A1074 VanDerWaalsContact C-N 3.31Å; N1072-A1074 PolarHBondContact O-N 2.88Å; N1072-K1075 WeakPolarHBondContact O-CB 3.48Å; N1072-K1075 PolarHBondContact O-N 3.48Å; N1072-K1075 VanDerWaalsContact O-N 3.11Å; N1072-D1076 PolarHBondContact O-N 3.31Å |
| 1073 | V | 58.9 | Low | 58.8 | Low | 67 Ų | 67 | 68.1 Ų | 68.1 | 41% | 0.406 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.9 | -34.6 | 176.3 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | M1069 H1071 K1075 N1077 | M1069-V1073 HydrophobicContact CG-CG2 4.27Å; M1069-V1073 WeakPolarHBondContact O-CG2 3.27Å; M1069-V1073 PolarHBondContact O-N 2.92Å; H1071-V1073 PolarHBondContact O-N 2.79Å; V1073-K1075 VanDerWaalsContact C-N 3.32Å; V1073-N1077 WeakPolarHBondContact O-CB 3.38Å; V1073-N1077 PolarHBondContact O-N 2.96Å; V1073-N1077 PolarHBondContact O-ND2 3.03Å |
| 1074 | A | 56.8 | Low | 57.9 | Low | 35 Ų | 35 | 68 Ų | 68 | 29% | 0.289 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.8 | -26.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | A1070 H1071 N1072 R1078 | A1070-A1074 VanDerWaalsContact O-CB 3.3Å; A1070-A1074 WeakPolarHBondContact O-CB 3.32Å; A1070-A1074 PolarHBondContact O-N 2.7Å; H1071-A1074 PolarHBondContact O-N 2.9Å; H1071-A1074 VanDerWaalsContact O-N 3.15Å; N1072-A1074 VanDerWaalsContact C-N 3.31Å; N1072-A1074 PolarHBondContact O-N 2.88Å; A1074-R1078 WeakPolarHBondContact O-CG 3.06Å |
| 1075 | K | 53.4 | Low | 57 | Low | 102 Ų | 102 | 71.1 Ų | 71.1 | 44% | 0.443 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -74.4 | -49.1 | 173.5 | -178.8 | 179.9 | 168.9 | -178.3 | 0 | 110.5 | D932 H1071 N1072 V1073 N1077 R1078 S1079 | D932-K1075 IonicContact OD1-NZ 3.97Å; D932-K1075 PolarHBondContact OD1-NZ 2.82Å; D932-K1075 IonicContact OD2-NZ 3.69Å; D932-K1075 PolarHBondContact OD2-NZ 3.31Å; H1071-K1075 PolarHBondContact O-N 3.12Å; N1072-K1075 WeakPolarHBondContact O-CB 3.48Å; N1072-K1075 PolarHBondContact O-N 3.48Å; N1072-K1075 VanDerWaalsContact O-N 3.11Å; V1073-K1075 VanDerWaalsContact C-N 3.32Å; K1075-N1077 VanDerWaalsContact C-N 3.27Å; K1075-N1077 PolarHBondContact O-N 3.36Å; K1075-R1078 PolarHBondContact O-N 2.96Å; K1075-S1079 PolarHBondContact O-N 2.97Å; K1075-S1079 PolarHBondContact O-OG 3.08Å |
| 1076 | D | 50.4 | Low | 56 | Low | 93 Ų | 93 | 75.7 Ų | 75.7 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.9 | -32.9 | -180 | -70 | -14.4 | 0 | 0 | 0 | 113 | N1072 R1078 S1079 | N1072-D1076 PolarHBondContact O-N 3.31Å; D1076-R1078 VanDerWaalsContact C-N 3.3Å; D1076-R1078 PolarHBondContact O-N 3.24Å; D1076-S1079 VanDerWaalsContact C-OG 3.31Å; D1076-S1079 VanDerWaalsContact CA-OG 3.28Å; D1076-S1079 WeakPolarHBondContact CA-OG 3.02Å; D1076-S1079 PolarHBondContact O-OG 2.71Å |
| 1077 | N | 35.8 | Very low | 54.9 | Low | 132 Ų | 132 | 77.4 Ų | 77.4 | 71% | 0.706 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -8.3 | 174.4 | -76.4 | -50.6 | 0 | 0 | 0 | 114.4 | V1073 K1075 | V1073-N1077 WeakPolarHBondContact O-CB 3.38Å; V1073-N1077 PolarHBondContact O-N 2.96Å; V1073-N1077 PolarHBondContact O-ND2 3.03Å; K1075-N1077 VanDerWaalsContact C-N 3.27Å; K1075-N1077 PolarHBondContact O-N 3.36Å |
| 1078 | R | 33.7 | Very low | 53.6 | Low | 214 Ų | 214 | 77.3 Ų | 77.3 | 81% | 0.808 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -22.8 | 177.5 | -77.6 | 179.5 | 173.8 | -170.8 | -3.4 | 113.1 | A1074 K1075 D1076 | A1074-R1078 WeakPolarHBondContact O-CG 3.06Å; K1075-R1078 PolarHBondContact O-N 2.96Å; D1076-R1078 VanDerWaalsContact C-N 3.3Å; D1076-R1078 PolarHBondContact O-N 3.24Å |
| 1079 | S | 30.2 | Very low | 52 | Low | 105 Ų | 105 | 83.1 Ų | 83.1 | 73% | 0.734 | 44% | 0.443 | S | S | * | . | trans | -67.7 | 0 | 165.7 | 39.8 | 0 | 0 | 0 | 0 | 112.4 | K740 K1075 D1076 | K740-S1079 VanDerWaalsContact NZ-C 3.34Å; K740-S1079 PolarHBondContact NZ-O 3.07Å; K1075-S1079 PolarHBondContact O-N 2.97Å; K1075-S1079 PolarHBondContact O-OG 3.08Å; D1076-S1079 VanDerWaalsContact C-OG 3.31Å; D1076-S1079 VanDerWaalsContact CA-OG 3.28Å; D1076-S1079 WeakPolarHBondContact CA-OG 3.02Å; D1076-S1079 PolarHBondContact O-OG 2.71Å |
Retrieved 1,079 of 1,079 residues in 435.8 ms
(Link to these results)