| 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 | 29.1 | Very low | 31.5 | Very low | 248 Ų | 248 | 153.5 Ų | 153.5 | 100% | 1.222 | 76% | 0.757 | S | S | * | * | 0 | 32.1 | 0 | -73.5 | -165.7 | -77.9 | 0 | 0 | 113.4 | |||||
| 2 | A | 27.6 | Very low | 32.2 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 90% | 0.901 | 76% | 0.76 | S | S | * | * | trans | -115.3 | 36 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3 | A | 25.9 | Very low | 33.5 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | -127.2 | 59 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 4 | E | 26.2 | Very low | 35.4 | Very low | 186 Ų | 186 | 135 Ų | 135 | 87% | 0.869 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -154.4 | 130.1 | 169 | -115.6 | 166.3 | -167.6 | 0 | 0 | 110.3 | ||
| 5 | K | 28.1 | Very low | 37.6 | Very low | 201 Ų | 201 | 126.4 Ų | 126.4 | 87% | 0.874 | 67% | 0.671 | S | S | * | * | trans | 73.6 | 67.5 | 177.8 | -59.8 | -177.7 | 177.6 | -179.5 | 0 | 117.6 | E7 | K5-E7 PolarHBondContact O-N 3.28Š| ||
| 6 | R | 29.2 | Very low | 40.4 | Very low | 202 Ų | 202 | 121.6 Ų | 121.6 | 76% | 0.762 | 65% | 0.646 | S | S | * | * | trans | -83.6 | 95 | 139.5 | -87.8 | -175 | 175.5 | -170.2 | -0.4 | 107.5 | R8 E22 | R6-R8 PolarHBondContact O-N 3.32Å; R6-E22 IonicContact NH1-OE2 2.82Å; R6-E22 PolarHBondContact NH1-OE2 3.35Å | ||
| 7 | E | 27.5 | Very low | 43.1 | Very low | 182 Ų | 182 | 118.5 Ų | 118.5 | 85% | 0.85 | 63% | 0.629 | S | S | * | * | trans | -56.7 | 107.5 | 169.1 | -115.7 | 173.8 | -178.4 | 0 | 0 | 108.5 | K5 R9 | K5-E7 PolarHBondContact O-N 3.28Å; E7-R9 PolarHBondContact O-N 3.34Å | ||
| 8 | R | 38.1 | Very low | 45.3 | Very low | 127 Ų | 127 | 112.7 Ų | 112.7 | 48% | 0.479 | 60% | 0.602 | S | S | . | * | trans | -67.3 | 105.2 | 175.1 | -70.8 | -178 | -178.6 | -175.5 | -0.9 | 106.9 | R6 T10 L16 | R6-R8 PolarHBondContact O-N 3.32Å; R8-T10 PolarHBondContact O-N 2.82Å; R8-L16 HydrophobicContact CB-CD2 4.05Å | ||
| 9 | R | 36.6 | Very low | 47.4 | Very low | 208 Ų | 208 | 110.7 Ų | 110.7 | 79% | 0.785 | 59% | 0.585 | S | S | * | * | trans | -55.5 | 101.6 | 177.2 | -79.2 | -179.1 | 175.8 | -179.5 | -1.9 | 109.7 | E7 L17 | E7-R9 PolarHBondContact O-N 3.34Å; R9-L17 HydrophobicContact CB-CD1 3.94Å | ||
| 10 | T | 33.5 | Very low | 49.1 | Very low | 106 Ų | 106 | 107.2 Ų | 107.2 | 65% | 0.65 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.8 | 128.8 | 172.8 | 44.2 | 0 | 0 | 0 | 0 | 109.1 | R8 L16 | R8-T10 PolarHBondContact O-N 2.82Å; T10-L16 HydrophobicContact CG2-CD2 4.07Å |
| 11 | T | 45 | Very low | 50.5 | Low | 24 Ų | 24 | 103.9 Ų | 103.9 | 15% | 0.147 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.6 | 155.1 | 172.7 | 53.6 | 0 | 0 | 0 | 0 | 109.9 | G13 G14 S15 L17 | T11-G13 PolarHBondContact O-N 2.98Å; T11-G14 PolarHBondContact O-N 3.41Å; T11-S15 PolarHBondContact N-O 3.17Å; T11-S15 VanDerWaalsContact OG1-CB 3.31Å; T11-S15 WeakPolarHBondContact OG1-CB 3.47Å; T11-S15 PolarHBondContact OG1-O 3.17Å; T11-S15 PolarHBondContact OG1-OG 3.13Å; T11-L17 HydrophobicContact CG2-CD2 4.31Å; T11-L17 HydrophobicContact CG2-CG 4.15Å |
| 12 | S | 40.1 | Very low | 53.2 | Low | 114 Ų | 114 | 95.6 Ų | 95.6 | 80% | 0.797 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 110.2 | -178.9 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 13 | G | 49 | Very low | 55.8 | Low | 41 Ų | 41 | 96.3 Ų | 96.3 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 119.5 | 2.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | T11 K366 | T11-G13 PolarHBondContact O-N 2.98Å; G13-K366 PolarHBondContact O-NZ 3.2Å |
| 14 | G | 59 | Low | 58.5 | Low | 47 Ų | 47 | 92.9 Ų | 92.9 | 49% | 0.485 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 10.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T11 | T11-G14 PolarHBondContact O-N 3.41Š|
| 15 | S | 69 | Low | 61.4 | Low | 6 Ų | 6 | 92.6 Ų | 92.6 | 4% | 0.042 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 133.5 | 174.3 | 32.8 | 0 | 0 | 0 | 0 | 111.3 | T11 R361 | T11-S15 PolarHBondContact N-O 3.17Å; T11-S15 VanDerWaalsContact OG1-CB 3.31Å; T11-S15 WeakPolarHBondContact OG1-CB 3.47Å; T11-S15 PolarHBondContact OG1-O 3.17Å; T11-S15 PolarHBondContact OG1-OG 3.13Å; S15-R361 WeakPolarHBondContact CA-O 3.44Å |
| 16 | L | 83 | Confident | 64.2 | Low | 49 Ų | 49 | 86.1 Ų | 86.1 | 26% | 0.257 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 138.9 | 174.3 | -65 | 169.4 | 0 | 0 | 0 | 109.2 | R8 T10 V360 R361 | R8-L16 HydrophobicContact CB-CD2 4.05Å; T10-L16 HydrophobicContact CG2-CD2 4.07Å; L16-V360 CarbonylContact O-C 3.54Å; L16-V360 WeakPolarHBondContact O-CA 3.33Å; L16-V360 WeakPolarHBondContact O-CB 3.28Å; L16-R361 HydrophobicContact CB-CB 4.32Å; L16-R361 PolarHBondContact N-O 2.96Å; L16-R361 PolarHBondContact O-N 3.18Å |
| 17 | L | 85.4 | Confident | 67.1 | Low | 69 Ų | 69 | 82 Ų | 82 | 36% | 0.361 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 142.2 | 170.8 | -74.1 | 161.8 | 0 | 0 | 0 | 110.2 | R9 T11 T358 V360 | R9-L17 HydrophobicContact CB-CD1 3.94Å; T11-L17 HydrophobicContact CG2-CD2 4.31Å; T11-L17 HydrophobicContact CG2-CG 4.15Å; L17-T358 HydrophobicContact CD2-CG2 4.04Å; L17-V360 HydrophobicContact CD2-CG1 4.41Å |
| 18 | G | 83.5 | Confident | 70.1 | Confident | 14 Ų | 14 | 77 Ų | 77 | 14% | 0.144 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 172.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E335 V359 | G18-E335 VanDerWaalsContact CA-OE1 3.31Å; G18-E335 WeakPolarHBondContact CA-OE1 3.48Å; G18-V359 WeakPolarHBondContact CA-O 3.46Å; G18-V359 PolarHBondContact N-O 3.49Å |
| 19 | R | 84.8 | Confident | 72.7 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 29% | 0.287 | 40% | 0.398 | S | S | . | . | trans | -99.6 | 26 | -177.6 | -70.9 | -166.2 | 163.9 | 171.4 | 4.4 | 113.5 | G21 E22 E335 T338 D342 | R19-G21 PolarHBondContact O-N 3.48Å; R19-E22 HydrophobicContact CB-CB 4.3Å; R19-E22 HydrophobicContact CB-CG 4.25Å; R19-E22 IonicContact NE-OE2 3.13Å; R19-E22 WeakPolarHBondContact O-CB 3.44Å; R19-E22 PolarHBondContact O-N 3.48Å; R19-E335 PolarHBondContact N-OE1 2.92Å; R19-E335 PolarHBondContact N-OE2 3.06Å; R19-T338 HydrophobicContact CB-CG2 4.28Å; R19-T338 HydrophobicContact CG-CG2 4.42Å; R19-D342 IonicContact CZ-OD1 3.96Å; R19-D342 IonicContact CZ-OD2 3.5Å; R19-D342 IonicContact NE-OD2 3.74Å; R19-D342 PolarHBondContact NE-OD2 3.18Å; R19-D342 IonicContact NH1-OD1 3.47Å; R19-D342 PolarHBondContact NH1-OD1 2.72Å; R19-D342 IonicContact NH1-OD2 3.9Å; R19-D342 PolarHBondContact NH1-OD2 2.81Å; R19-D342 IonicContact NH2-OD1 3.26Å; R19-D342 IonicContact NH2-OD2 2.99Å | ||
| 20 | E | 81 | Confident | 75.2 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 128.7 | 178.6 | -65.8 | -170.2 | 129.5 | 0 | 0 | 111.5 | E22 R331 V359 | E20-E22 VanDerWaalsContact C-N 3.3Å; E20-R331 VanDerWaalsContact CD-NH2 3.34Å; E20-R331 WeakPolarHBondContact OE1-CB 3.43Å; E20-R331 IonicContact OE1-CZ 3.13Å; E20-R331 IonicContact OE1-NE 2.84Å; E20-R331 PolarHBondContact OE1-NE 2.66Å; E20-R331 IonicContact OE1-NH2 3.11Å; E20-R331 PolarHBondContact OE1-NH2 2.66Å; E20-R331 VanDerWaalsContact OE1-NH2 3.13Å; E20-R331 IonicContact OE2-CZ 2.66Å; E20-R331 IonicContact OE2-NE 3.75Å; E20-R331 IonicContact OE2-NH2 3.36Å; E20-R331 PolarHBondContact OE2-NH2 2.73Å; E20-V359 HydrophobicContact CG-CB 4.2Å; E20-V359 HydrophobicContact CG-CG2 4.37Å; E20-V359 VanDerWaalsContact OE1-CG2 3.23Å; E20-V359 WeakPolarHBondContact OE1-CG2 3.32Å |
| 21 | G | 79.8 | Confident | 77.9 | Confident | 39 Ų | 39 | 65.2 Ų | 65.2 | 40% | 0.402 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -11.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R19 K766 | R19-G21 PolarHBondContact O-N 3.48Å; G21-K766 WeakPolarHBondContact CA-O 3.49Å; G21-K766 PolarHBondContact N-O 3.25Å |
| 22 | E | 84.6 | Confident | 80.3 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 34% | 0.341 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -73.1 | 145.3 | 173.2 | -63.1 | -166.9 | -151.3 | 0 | 0 | 111.2 | R6 R19 E20 V24 | R6-E22 IonicContact NH1-OE2 2.82Å; R6-E22 PolarHBondContact NH1-OE2 3.35Å; R19-E22 HydrophobicContact CB-CB 4.3Å; R19-E22 HydrophobicContact CB-CG 4.25Å; R19-E22 IonicContact NE-OE2 3.13Å; R19-E22 WeakPolarHBondContact O-CB 3.44Å; R19-E22 PolarHBondContact O-N 3.48Å; E20-E22 VanDerWaalsContact C-N 3.3Å; E22-V24 PolarHBondContact O-N 3.4Å |
| 23 | H | 81.5 | Confident | 83.1 | Confident | 125 Ų | 125 | 62 Ų | 62 | 58% | 0.579 | 36% | 0.363 | S | S | * | . | trans | -71.9 | 113.1 | 174.3 | -176.9 | 75.2 | 0 | 0 | 0 | 110.2 | ||||
| 24 | V | 84.6 | Confident | 85.4 | Confident | 22 Ų | 22 | 60 Ų | 60 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 121 | 170.7 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | E22 M56 Y59 M60 I773 | E22-V24 PolarHBondContact O-N 3.4Å; V24-M56 HydrophobicContact CG1-SD 4.42Å; V24-M56 HydrophobicContact CG2-CE 4.12Å; V24-Y59 HydrophobicContact CB-CE1 4.25Å; V24-Y59 HydrophobicContact CG1-CD1 4.27Å; V24-Y59 HydrophobicContact CG1-CE1 4.05Å; V24-Y59 WeakPolarHBondContact O-CE1 3.48Å; V24-Y59 PolarHBondContact O-OH 3.29Å; V24-M60 HydrophobicContact CG1-CE 4.27Å; V24-M60 HydrophobicContact CG1-CG 3.89Å; V24-M60 HydrophobicContact CG1-SD 4.08Å; V24-I773 HydrophobicContact CB-CD1 4.24Å |
| 25 | R | 85.4 | Confident | 87.3 | Confident | 180 Ų | 180 | 57.8 Ų | 57.8 | 68% | 0.679 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -76 | 139.1 | 174.8 | -72 | -177 | -178 | -175.7 | 0.6 | 109.8 | T28 | R25-T28 HydrophobicContact CB-CG2 3.6Å; R25-T28 WeakPolarHBondContact O-CG2 3.5Å |
| 26 | P | 88.1 | Confident | 88.7 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 43% | 0.429 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 153.8 | 176 | 29.4 | -33.9 | 0 | 0 | 0 | 111.3 | T28 Y59 | P26-T28 PolarHBondContact O-N 3.34Å; P26-T28 VanDerWaalsContact O-N 3.17Å; P26-Y59 WeakPolarHBondContact CA-O 3.39Å; P26-Y59 HydrophobicContact CB-CD2 4.44Å; P26-Y59 HydrophobicContact CB-CE1 4.19Å; P26-Y59 HydrophobicContact CB-CE2 3.95Å |
| 27 | L | 90 | Very high | 89.4 | Confident | 114 Ų | 114 | 55.2 Ų | 55.2 | 60% | 0.597 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 19.4 | 171.5 | -53.3 | 177.4 | 0 | 0 | 0 | 116.6 | N29 T30 Y59 M60 | L27-N29 VanDerWaalsContact C-N 3.27Å; L27-N29 PolarHBondContact O-N 2.89Å; L27-T30 PolarHBondContact O-OG1 3.29Å; L27-Y59 PolarHBondContact N-O 3.1Å; L27-M60 CarbonylContact C-O 3.56Å; L27-M60 VanDerWaalsContact C-O 3.22Å; L27-M60 VanDerWaalsContact CA-O 3.28Å; L27-M60 WeakPolarHBondContact CA-O 3.36Å |
| 28 | T | 89.7 | Confident | 90 | Very high | 78 Ų | 78 | 51.9 Ų | 51.9 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -21.4 | -179.9 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | R25 P26 M60 | R25-T28 HydrophobicContact CB-CG2 3.6Å; R25-T28 WeakPolarHBondContact O-CG2 3.5Å; P26-T28 PolarHBondContact O-N 3.34Å; P26-T28 VanDerWaalsContact O-N 3.17Å; T28-M60 PolarHBondContact N-O 3.44Å; T28-M60 VanDerWaalsContact N-O 3.13Å |
| 29 | N | 92.4 | Very high | 90.5 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | 34.8 | -170.9 | -71.7 | 89 | 0 | 0 | 0 | 111.4 | L27 G31 D32 M60 M341 | L27-N29 VanDerWaalsContact C-N 3.27Å; L27-N29 PolarHBondContact O-N 2.89Å; N29-G31 PolarHBondContact O-N 3.3Å; N29-G31 VanDerWaalsContact O-N 3.17Å; N29-D32 HydrophobicContact CB-CB 4.4Å; N29-D32 WeakPolarHBondContact CB-OD2 3.38Å; N29-D32 PolarHBondContact ND2-OD2 3.48Å; N29-D32 WeakPolarHBondContact O-CB 3.41Å; N29-D32 PolarHBondContact O-N 3.09Å; N29-D32 VanDerWaalsContact O-N 3.11Å; N29-M60 WeakPolarHBondContact CA-O 3.46Å; N29-M60 HydrophobicContact CB-CB 4.4Å; N29-M60 PolarHBondContact N-O 2.89Å; N29-M60 VanDerWaalsContact OD1-CE 3.31Å; N29-M60 WeakPolarHBondContact OD1-CE 3.42Å; N29-M341 HydrophobicContact CB-CG 4.35Å; N29-M341 HydrophobicContact CB-SD 3.81Å; N29-M341 PolarHBondContact ND2-SD 2.98Å; N29-M341 VanDerWaalsContact ND2-SD 3.43Å |
| 30 | T | 90.4 | Very high | 90.9 | Very high | 104 Ų | 104 | 49.7 Ų | 49.7 | 64% | 0.638 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 120.6 | 177.5 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | L27 G61 | L27-T30 PolarHBondContact O-OG1 3.29Å; T30-G61 WeakPolarHBondContact CA-O 3.33Å |
| 31 | G | 90.6 | Very high | 91.4 | Very high | 61 Ų | 61 | 50 Ų | 50 | 63% | 0.629 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.2 | -17.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | N29 | N29-G31 PolarHBondContact O-N 3.3Å; N29-G31 VanDerWaalsContact O-N 3.17Å |
| 32 | D | 94.9 | Very high | 92.1 | Very high | 54 Ų | 54 | 50.9 Ų | 50.9 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | trans | -69.3 | 145.4 | 171 | -74.5 | -47.2 | 0 | 0 | 0 | 110.7 | N29 C62 K63 M341 | N29-D32 HydrophobicContact CB-CB 4.4Å; N29-D32 WeakPolarHBondContact CB-OD2 3.38Å; N29-D32 PolarHBondContact ND2-OD2 3.48Å; N29-D32 WeakPolarHBondContact O-CB 3.41Å; N29-D32 PolarHBondContact O-N 3.09Å; N29-D32 VanDerWaalsContact O-N 3.11Å; D32-C62 HydrophobicContact CB-CB 4.47Å; D32-C62 CarbonylContact O-C 3.31Å; D32-C62 VanDerWaalsContact O-CA 3.25Å; D32-C62 WeakPolarHBondContact O-CA 3.44Å; D32-C62 WeakPolarHBondContact O-CB 3.49Å; D32-K63 PolarHBondContact O-N 3.21Å; D32-M341 HydrophobicContact CB-SD 4.06Å | ||
| 33 | V | 97.6 | Very high | 92.7 | Very high | 16 Ų | 16 | 47.4 Ų | 47.4 | 10% | 0.097 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.7 | -179.6 | -170.2 | 0 | 0 | 0 | 0 | 109.8 | K63 Y65 G125 I126 N128 | V33-K63 CarbonylContact C-O 3.34Å; V33-K63 WeakPolarHBondContact CA-O 3.35Å; V33-K63 HydrophobicContact CG1-CB 4.29Å; V33-K63 HydrophobicContact CG2-CB 4.35Å; V33-Y65 HydrophobicContact CG1-CD2 3.54Å; V33-Y65 HydrophobicContact CG1-CE2 3.64Å; V33-G125 WeakPolarHBondContact CB-O 3.34Å; V33-I126 HydrophobicContact CG1-CG1 3.78Å; V33-N128 WeakPolarHBondContact O-CB 3.47Å; V33-N128 PolarHBondContact O-N 3.36Å; V33-N128 PolarHBondContact O-ND2 2.97Å |
| 34 | I | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.8 | -179.4 | -58.1 | 172.8 | 0 | 0 | 0 | 108.7 | V53 C62 K63 V64 Y65 N128 V130 V337 L340 M341 | I34-V53 HydrophobicContact CG2-CG1 4.36Å; I34-C62 HydrophobicContact CD1-CB 3.89Å; I34-C62 HydrophobicContact CG1-CB 4.21Å; I34-K63 PolarHBondContact N-O 3.09Å; I34-V64 CarbonylContact O-C 3.48Å; I34-V64 WeakPolarHBondContact O-CA 3.25Å; I34-Y65 PolarHBondContact O-N 3.48Å; I34-N128 CarbonylContact C-O 3.58Å; I34-N128 WeakPolarHBondContact CA-O 3.36Å; I34-N128 HydrophobicContact CG1-CB 4.18Å; I34-V130 HydrophobicContact CG2-CG2 4.11Å; I34-V337 HydrophobicContact CD1-CG1 3.92Å; I34-V337 HydrophobicContact CD1-CG2 4.35Å; I34-L340 HydrophobicContact CG2-CD1 4.2Å; I34-M341 HydrophobicContact CD1-CE 3.9Å; I34-M341 HydrophobicContact CG1-CE 4.02Å |
| 35 | G | 98.4 | Very high | 94 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 139 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y65 N128 L129 V130 | G35-Y65 CarbonylContact C-O 3.51Å; G35-Y65 WeakPolarHBondContact CA-O 3.19Å; G35-N128 PolarHBondContact N-O 3.27Å; G35-L129 CarbonylContact O-C 3.41Å; G35-L129 WeakPolarHBondContact O-CA 3.47Å; G35-V130 PolarHBondContact O-N 2.99Å |
| 36 | V | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 137.9 | 172.6 | 58 | 0 | 0 | 0 | 0 | 110.4 | L50 V53 V64 Y65 F66 I67 V130 I132 | V36-L50 HydrophobicContact CB-CD1 4.22Å; V36-L50 HydrophobicContact CG1-CD1 3.5Å; V36-L50 VanDerWaalsContact CG1-CD1 3.5Å; V36-L50 HydrophobicContact CG2-CD1 3.64Å; V36-V53 HydrophobicContact CB-CG1 3.98Å; V36-V53 HydrophobicContact CG1-CG1 4.25Å; V36-V53 HydrophobicContact CG2-CB 4.46Å; V36-V53 HydrophobicContact CG2-CG1 4.12Å; V36-V64 HydrophobicContact CG1-CG1 4.14Å; V36-Y65 PolarHBondContact N-O 2.82Å; V36-F66 HydrophobicContact CG1-CD1 3.43Å; V36-F66 VanDerWaalsContact CG1-CD1 3.43Å; V36-F66 HydrophobicContact CG1-CE1 3.63Å; V36-I67 PolarHBondContact O-N 3.32Å; V36-V130 WeakPolarHBondContact CA-O 3.48Å; V36-V130 HydrophobicContact CB-CB 4.18Å; V36-V130 HydrophobicContact CG2-CB 4Å; V36-V130 HydrophobicContact CG2-CG1 4.21Å; V36-I132 HydrophobicContact CG2-CD1 3.9Å; V36-I132 HydrophobicContact CG2-CG1 4.25Å |
| 37 | F | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 149 | -177.8 | 75.3 | -76.4 | 0 | 0 | 0 | 111.2 | I67 Y71 M74 L129 V130 C131 I132 | F37-I67 HydrophobicContact CB-CB 3.8Å; F37-I67 HydrophobicContact CB-CD1 4.32Å; F37-I67 HydrophobicContact CB-CG2 4.29Å; F37-Y71 AromaticContact CE2-CD1 3.94Å; F37-Y71 HydrophobicContact CE2-CD1 3.94Å; F37-Y71 HydrophobicContact CE2-CD2 4.21Å; F37-Y71 AromaticContact CE2-CE1 3.56Å; F37-Y71 HydrophobicContact CE2-CE1 3.56Å; F37-Y71 AromaticContact CE2-CE2 3.87Å; F37-Y71 HydrophobicContact CE2-CE2 3.87Å; F37-Y71 HydrophobicContact CE2-CG 4.24Å; F37-Y71 AromaticContact CE2-CZ 3.53Å; F37-Y71 HydrophobicContact CZ-CD1 4.33Å; F37-Y71 AromaticContact CZ-CE1 3.58Å; F37-Y71 HydrophobicContact CZ-CE1 3.58Å; F37-Y71 HydrophobicContact CZ-CE2 4.39Å; F37-Y71 AromaticContact CZ-CZ 3.61Å; F37-M74 HydrophobicContact CD1-CE 3.87Å; F37-M74 HydrophobicContact CD2-CE 4.21Å; F37-M74 HydrophobicContact CE1-CE 3.84Å; F37-M74 HydrophobicContact CE2-CE 4.16Å; F37-M74 HydrophobicContact CG-CE 4.06Å; F37-M74 HydrophobicContact CZ-CE 3.97Å; F37-L129 HydrophobicContact CD1-CD1 4.01Å; F37-L129 HydrophobicContact CD1-CD2 4.29Å; F37-L129 HydrophobicContact CD1-CG 4.05Å; F37-L129 HydrophobicContact CE1-CD1 4.11Å; F37-L129 HydrophobicContact CE1-CD2 3.55Å; F37-L129 HydrophobicContact CE1-CG 3.7Å; F37-L129 HydrophobicContact CZ-CD2 4.32Å; F37-V130 VanDerWaalsContact CD1-O 3.32Å; F37-V130 WeakPolarHBondContact CD1-O 3.16Å; F37-V130 PolarHBondContact N-O 3.47Å; F37-C131 HydrophobicContact CD1-CB 4.43Å; F37-C131 HydrophobicContact CE1-CB 3.53Å; F37-C131 HydrophobicContact CE2-CB 4.49Å; F37-C131 HydrophobicContact CZ-CB 3.59Å; F37-C131 WeakPolarHBondContact CZ-SG 3.06Å; F37-I132 PolarHBondContact O-N 3.25Å |
| 38 | T | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 133.9 | 170.4 | 41.5 | 0 | 0 | 0 | 0 | 109.7 | M46 G70 T98 I100 G101 I132 | T38-M46 HydrophobicContact CG2-CB 4.19Å; T38-M46 HydrophobicContact CG2-CG 4.39Å; T38-M46 HydrophobicContact CG2-SD 3.91Å; T38-G70 WeakPolarHBondContact O-CA 3.43Å; T38-T98 WeakPolarHBondContact CG2-OG1 3.46Å; T38-T98 WeakPolarHBondContact OG1-CB 3.45Å; T38-T98 WeakPolarHBondContact OG1-CG2 3.49Å; T38-T98 PolarHBondContact OG1-OG1 3.44Å; T38-I100 HydrophobicContact CG2-CD1 4.41Å; T38-I100 HydrophobicContact CG2-CG1 4.49Å; T38-I100 VanDerWaalsContact OG1-CG1 3.24Å; T38-I100 WeakPolarHBondContact OG1-CG1 3.45Å; T38-G101 PolarHBondContact OG1-O 2.87Å; T38-I132 CarbonylContact C-O 3.56Å; T38-I132 VanDerWaalsContact CA-O 3.25Å; T38-I132 WeakPolarHBondContact CA-O 3.48Å; T38-I132 HydrophobicContact CG2-CB 3.85Å; T38-I132 HydrophobicContact CG2-CD1 4.41Å; T38-I132 HydrophobicContact CG2-CG2 4.13Å |
| 39 | S | 95.3 | Very high | 95.8 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 6% | 0.056 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 142.6 | -178.4 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | Y71 S102 I132 G133 S137 | S39-Y71 VanDerWaalsContact OG-CD2 3.31Å; S39-Y71 WeakPolarHBondContact OG-CD2 3.18Å; S39-S102 VanDerWaalsContact CA-OG 3.31Å; S39-S102 WeakPolarHBondContact CA-OG 2.8Å; S39-I132 PolarHBondContact N-O 2.95Å; S39-G133 WeakPolarHBondContact O-CA 3.39Å; S39-S137 PolarHBondContact O-OG 3.09Å; S39-S137 PolarHBondContact OG-OG 2.89Å |
| 40 | G | 92.2 | Very high | 96.1 | Very high | 36 Ų | 36 | 18.2 Ų | 18.2 | 37% | 0.371 | 14% | 0.136 | S | C | . | . | S | Bend | trans | 99.5 | -159.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S102 | G40-S102 PolarHBondContact N-OG 3.25Å; G40-S102 PolarHBondContact O-OG 3.08Å |
| 41 | G | 92 | Very high | 96.5 | Very high | 44 Ų | 44 | 13.7 Ų | 13.7 | 45% | 0.454 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -66.1 | 136.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | M46 | G41-M46 WeakPolarHBondContact O-CE 3.48Š|
| 42 | D | 94.5 | Very high | 96.8 | Very high | 58 Ų | 58 | 10.8 Ų | 10.8 | 31% | 0.31 | 8% | 0.077 | S | C | . | . | trans | -67.2 | 154.3 | 175.4 | 68.5 | -51.2 | 0 | 0 | 0 | 111.1 | M46 G97 | D42-M46 HydrophobicContact CB-SD 4.47Å; D42-G97 WeakPolarHBondContact OD2-CA 3.27Å | ||
| 43 | S | 96.1 | Very high | 97 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -144.5 | 148.8 | 174.5 | 73.3 | 0 | 0 | 0 | 0 | 110.4 | G45 M46 G179 S180 I192 | S43-G45 PolarHBondContact O-N 3.29Å; S43-M46 VanDerWaalsContact O-CG 3.31Å; S43-M46 WeakPolarHBondContact O-CG 3.39Å; S43-M46 PolarHBondContact O-N 3.11Å; S43-G179 WeakPolarHBondContact OG-CA 3.35Å; S43-S180 PolarHBondContact OG-N 3.06Å; S43-I192 VanDerWaalsContact CB-O 3.3Å; S43-I192 WeakPolarHBondContact CB-O 3.49Å; S43-I192 PolarHBondContact OG-O 2.93Å | ||
| 44 | Q | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 131.4 | -177.4 | -49.8 | 90.8 | -33.9 | 0 | 0 | 109.3 | G193 T196 Q316 R317 G318 G319 P321 | Q44-G193 WeakPolarHBondContact O-CA 3.45Å; Q44-G193 PolarHBondContact O-N 2.96Å; Q44-T196 HydrophobicContact CB-CG2 3.59Å; Q44-T196 HydrophobicContact CG-CG2 3.53Å; Q44-Q316 PolarHBondContact NE2-O 3.09Å; Q44-R317 WeakPolarHBondContact CG-O 3.49Å; Q44-R317 PolarHBondContact NE2-O 2.97Å; Q44-R317 VanDerWaalsContact NE2-O 3.15Å; Q44-G318 PolarHBondContact NE2-O 2.94Å; Q44-G319 WeakPolarHBondContact CG-O 3.31Å; Q44-P321 HydrophobicContact CB-CB 3.99Å |
| 45 | G | 96.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.5 | -10.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S43 N47 A48 A49 I192 | S43-G45 PolarHBondContact O-N 3.29Å; G45-N47 PolarHBondContact O-N 3.07Å; G45-A48 WeakPolarHBondContact O-CA 3.25Å; G45-A48 WeakPolarHBondContact O-CB 3.42Å; G45-A48 PolarHBondContact O-N 3.26Å; G45-A49 PolarHBondContact O-N 3.49Å; G45-A49 VanDerWaalsContact O-N 3.1Å; G45-I192 VanDerWaalsContact C-CG2 3.49Å |
| 46 | M | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -54.9 | -40.5 | 170.8 | -76 | -173.8 | 173.8 | 0 | 0 | 112.1 | T38 G41 D42 S43 A48 A49 L50 I132 | T38-M46 HydrophobicContact CG2-CB 4.19Å; T38-M46 HydrophobicContact CG2-CG 4.39Å; T38-M46 HydrophobicContact CG2-SD 3.91Å; G41-M46 WeakPolarHBondContact O-CE 3.48Å; D42-M46 HydrophobicContact CB-SD 4.47Å; S43-M46 VanDerWaalsContact O-CG 3.31Å; S43-M46 WeakPolarHBondContact O-CG 3.39Å; S43-M46 PolarHBondContact O-N 3.11Å; M46-A48 VanDerWaalsContact C-N 3.3Å; M46-A48 PolarHBondContact O-N 3.5Å; M46-A49 PolarHBondContact O-N 3.02Å; M46-L50 WeakPolarHBondContact O-CB 3.41Å; M46-L50 PolarHBondContact O-N 3.32Å; M46-I132 HydrophobicContact CB-CG2 4.47Å; M46-I132 HydrophobicContact CG-CG2 3.97Å |
| 47 | N | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.3 | -32.4 | 174.5 | -71.6 | -38.9 | 0 | 0 | 0 | 113.5 | G45 R51 V92 R95 S96 G97 T98 I99 | G45-N47 PolarHBondContact O-N 3.07Å; N47-R51 WeakPolarHBondContact O-CB 3.37Å; N47-R51 PolarHBondContact O-N 2.95Å; N47-V92 HydrophobicContact CB-CB 4.39Å; N47-V92 HydrophobicContact CB-CG2 4.36Å; N47-V92 VanDerWaalsContact CB-O 3.3Å; N47-V92 WeakPolarHBondContact CB-O 3.44Å; N47-R95 PolarHBondContact ND2-O 2.97Å; N47-S96 PolarHBondContact ND2-O 3.33Å; N47-G97 PolarHBondContact ND2-O 2.9Å; N47-G97 VanDerWaalsContact ND2-O 3.08Å; N47-T98 WeakPolarHBondContact OD1-CA 3.5Å; N47-I99 WeakPolarHBondContact OD1-CG2 3.47Å; N47-I99 PolarHBondContact OD1-N 3.22Å |
| 48 | A | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.7 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | G45 M46 R51 A52 I93 | G45-A48 WeakPolarHBondContact O-CA 3.25Å; G45-A48 WeakPolarHBondContact O-CB 3.42Å; G45-A48 PolarHBondContact O-N 3.26Å; M46-A48 VanDerWaalsContact C-N 3.3Å; M46-A48 PolarHBondContact O-N 3.5Å; A48-R51 PolarHBondContact O-N 3.27Å; A48-A52 WeakPolarHBondContact O-CB 3.25Å; A48-A52 PolarHBondContact O-N 2.93Å; A48-I93 HydrophobicContact CB-CG1 3.95Å |
| 49 | A | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.6 | -49.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G45 M46 R51 A52 V53 I132 L177 I192 G329 | G45-A49 PolarHBondContact O-N 3.49Å; G45-A49 VanDerWaalsContact O-N 3.1Å; M46-A49 PolarHBondContact O-N 3.02Å; A49-R51 VanDerWaalsContact C-N 3.32Å; A49-R51 PolarHBondContact O-N 3.15Å; A49-A52 PolarHBondContact O-N 3.26Å; A49-A52 VanDerWaalsContact O-N 3.13Å; A49-V53 WeakPolarHBondContact O-CG2 3.39Å; A49-V53 PolarHBondContact O-N 3.31Å; A49-I132 HydrophobicContact CB-CD1 3.91Å; A49-L177 HydrophobicContact CB-CD1 3.91Å; A49-I192 HydrophobicContact CB-CD1 4.15Å; A49-G329 VanDerWaalsContact CA-O 3.24Å; A49-G329 WeakPolarHBondContact CA-O 3.2Å |
| 50 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -55.8 | -46.3 | 175.6 | -178.2 | 71 | 0 | 0 | 0 | 111.7 | V36 M46 A52 V53 C54 F66 I99 I100 I132 | V36-L50 HydrophobicContact CB-CD1 4.22Å; V36-L50 HydrophobicContact CG1-CD1 3.5Å; V36-L50 VanDerWaalsContact CG1-CD1 3.5Å; V36-L50 HydrophobicContact CG2-CD1 3.64Å; M46-L50 WeakPolarHBondContact O-CB 3.41Å; M46-L50 PolarHBondContact O-N 3.32Å; L50-A52 VanDerWaalsContact C-N 3.34Å; L50-A52 PolarHBondContact O-N 3.33Å; L50-V53 PolarHBondContact O-N 3.05Å; L50-C54 WeakPolarHBondContact O-CB 3.44Å; L50-C54 PolarHBondContact O-N 2.99Å; L50-F66 HydrophobicContact CD1-CD1 4.02Å; L50-F66 HydrophobicContact CD1-CE1 3.68Å; L50-F66 HydrophobicContact CD1-CZ 3.99Å; L50-F66 HydrophobicContact CD2-CE2 4.15Å; L50-F66 HydrophobicContact CD2-CZ 4.12Å; L50-F66 HydrophobicContact CG-CE1 4.1Å; L50-F66 HydrophobicContact CG-CE2 4.42Å; L50-F66 HydrophobicContact CG-CZ 3.9Å; L50-I99 HydrophobicContact CD2-CD1 3.73Å; L50-I99 HydrophobicContact CD2-CG1 3.53Å; L50-I100 HydrophobicContact CD1-CD1 3.81Å; L50-I100 HydrophobicContact CD2-CD1 4.27Å; L50-I100 HydrophobicContact CD2-CG1 4.28Å; L50-I100 HydrophobicContact CD2-CG2 3.87Å; L50-I132 HydrophobicContact CB-CD1 4.43Å |
| 51 | R | 97.9 | Very high | 96.6 | Very high | 9 Ų | 9 | 11.4 Ų | 11.4 | 3% | 0.034 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.4 | -44.9 | 176.3 | 174.8 | 178.9 | 173.4 | -82.2 | 1.1 | 111.8 | N47 A48 A49 C54 R55 V89 V92 L774 | N47-R51 WeakPolarHBondContact O-CB 3.37Å; N47-R51 PolarHBondContact O-N 2.95Å; A48-R51 PolarHBondContact O-N 3.27Å; A49-R51 VanDerWaalsContact C-N 3.32Å; A49-R51 PolarHBondContact O-N 3.15Å; R51-C54 PolarHBondContact O-N 2.71Å; R51-R55 WeakPolarHBondContact O-CB 3.48Å; R51-R55 WeakPolarHBondContact O-CG 3.49Å; R51-R55 PolarHBondContact O-N 3.43Å; R51-V89 HydrophobicContact CB-CB 4.02Å; R51-V89 HydrophobicContact CB-CG2 4.43Å; R51-V89 HydrophobicContact CG-CB 3.98Å; R51-V89 HydrophobicContact CG-CG2 3.98Å; R51-V92 HydrophobicContact CB-CG2 4.07Å; R51-L774 PolarHBondContact NH2-O 2.9Å |
| 52 | A | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -68.9 | -40.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A48 A49 L50 C54 R55 M56 S330 A334 L774 | A48-A52 WeakPolarHBondContact O-CB 3.25Å; A48-A52 PolarHBondContact O-N 2.93Å; A49-A52 PolarHBondContact O-N 3.26Å; A49-A52 VanDerWaalsContact O-N 3.13Å; L50-A52 VanDerWaalsContact C-N 3.34Å; L50-A52 PolarHBondContact O-N 3.33Å; A52-C54 VanDerWaalsContact C-N 3.34Å; A52-C54 PolarHBondContact O-N 3.14Å; A52-R55 PolarHBondContact O-N 2.85Å; A52-M56 WeakPolarHBondContact O-CB 3.34Å; A52-M56 PolarHBondContact O-N 3.44Å; A52-S330 WeakPolarHBondContact CB-O 3.48Å; A52-A334 HydrophobicContact CB-CB 4.49Å; A52-L774 HydrophobicContact CB-CD1 4.23Å; A52-L774 HydrophobicContact CB-CD2 4.2Å |
| 53 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -58.6 | -47.7 | 173.4 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | I34 V36 A49 L50 G57 V130 L177 G333 V337 | I34-V53 HydrophobicContact CG2-CG1 4.36Å; V36-V53 HydrophobicContact CB-CG1 3.98Å; V36-V53 HydrophobicContact CG1-CG1 4.25Å; V36-V53 HydrophobicContact CG2-CB 4.46Å; V36-V53 HydrophobicContact CG2-CG1 4.12Å; A49-V53 WeakPolarHBondContact O-CG2 3.39Å; A49-V53 PolarHBondContact O-N 3.31Å; L50-V53 PolarHBondContact O-N 3.05Å; V53-G57 PolarHBondContact O-N 3.22Å; V53-V130 HydrophobicContact CG1-CB 4.34Å; V53-V130 HydrophobicContact CG1-CG2 3.94Å; V53-V130 HydrophobicContact CG2-CG1 3.96Å; V53-V130 HydrophobicContact CG2-CG2 4.41Å; V53-L177 HydrophobicContact CG2-CD1 4.43Å; V53-G333 WeakPolarHBondContact CG2-O 3.44Å; V53-V337 HydrophobicContact CB-CG2 4.29Å; V53-V337 HydrophobicContact CG1-CG2 3.98Å; V53-V337 WeakPolarHBondContact O-CG2 3.38Å |
| 54 | C | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.1 | -55.4 | 178.1 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | L50 R51 A52 M56 G57 L58 F66 N85 V89 | L50-C54 WeakPolarHBondContact O-CB 3.44Å; L50-C54 PolarHBondContact O-N 2.99Å; R51-C54 PolarHBondContact O-N 2.71Å; A52-C54 VanDerWaalsContact C-N 3.34Å; A52-C54 PolarHBondContact O-N 3.14Å; C54-M56 PolarHBondContact O-N 3.11Å; C54-G57 PolarHBondContact O-N 3.2Å; C54-L58 VanDerWaalsContact O-CG 3.26Å; C54-L58 WeakPolarHBondContact O-CG 3.48Å; C54-L58 PolarHBondContact O-N 3.45Å; C54-F66 HydrophobicContact CB-CE1 4.05Å; C54-F66 HydrophobicContact CB-CZ 4.03Å; C54-N85 PolarHBondContact SG-O 2.94Å; C54-V89 HydrophobicContact CB-CG1 3.92Å; C54-V89 HydrophobicContact CB-CG2 4.09Å |
| 55 | R | 96.7 | Very high | 97.2 | Very high | 15 Ų | 15 | 14.4 Ų | 14.4 | 6% | 0.057 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -68.5 | -38.2 | -174.7 | -69.2 | -169.3 | 175.5 | -163.6 | -4.2 | 113 | R51 A52 Y59 W86 V89 S90 L774 | R51-R55 WeakPolarHBondContact O-CB 3.48Å; R51-R55 WeakPolarHBondContact O-CG 3.49Å; R51-R55 PolarHBondContact O-N 3.43Å; A52-R55 PolarHBondContact O-N 2.85Å; R55-Y59 VanDerWaalsContact O-CB 3.25Å; R55-Y59 WeakPolarHBondContact O-CB 3.49Å; R55-Y59 PolarHBondContact O-N 3.26Å; R55-W86 HydrophobicContact CB-CE3 4.36Å; R55-W86 HydrophobicContact CB-CH2 3.88Å; R55-W86 HydrophobicContact CB-CZ2 4.47Å; R55-W86 HydrophobicContact CB-CZ3 3.82Å; R55-W86 HydrophobicContact CG-CD2 4.18Å; R55-W86 HydrophobicContact CG-CE3 4.03Å; R55-W86 HydrophobicContact CG-CH2 3.96Å; R55-W86 HydrophobicContact CG-CZ2 4.1Å; R55-W86 HydrophobicContact CG-CZ3 3.93Å; R55-V89 HydrophobicContact CG-CG2 3.9Å; R55-S90 PolarHBondContact NH2-OG 2.98Å; R55-L774 HydrophobicContact CB-CD2 3.77Å; R55-L774 WeakPolarHBondContact CD-O 3.24Å; R55-L774 PolarHBondContact NH1-O 3.32Å |
| 56 | M | 96.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 14.5 Ų | 14.5 | 4% | 0.039 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68.5 | -41.6 | 175.7 | -174.6 | 60.6 | 112.2 | 0 | 0 | 111.3 | V24 A52 C54 Y59 M60 A334 V337 L770 I773 | V24-M56 HydrophobicContact CG1-SD 4.42Å; V24-M56 HydrophobicContact CG2-CE 4.12Å; A52-M56 WeakPolarHBondContact O-CB 3.34Å; A52-M56 PolarHBondContact O-N 3.44Å; C54-M56 PolarHBondContact O-N 3.11Å; M56-Y59 PolarHBondContact O-N 2.88Å; M56-Y59 HydrophobicContact SD-CD1 4.29Å; M56-M60 HydrophobicContact CG-SD 4.27Å; M56-M60 WeakPolarHBondContact O-CG 3.19Å; M56-M60 PolarHBondContact O-N 2.9Å; M56-M60 HydrophobicContact SD-CG 4.33Å; M56-M60 HydrophobicContact SD-SD 4.35Å; M56-A334 HydrophobicContact CB-CB 4.32Å; M56-A334 HydrophobicContact CE-CB 3.95Å; M56-A334 HydrophobicContact CG-CB 4.35Å; M56-V337 HydrophobicContact CB-CB 4.15Å; M56-V337 HydrophobicContact CB-CG1 4.4Å; M56-V337 HydrophobicContact CB-CG2 4.08Å; M56-V337 HydrophobicContact CG-CB 3.78Å; M56-V337 HydrophobicContact CG-CG1 3.9Å; M56-V337 HydrophobicContact CG-CG2 4.28Å; M56-L770 HydrophobicContact CE-CD1 4.34Å; M56-I773 HydrophobicContact CE-CD1 4.35Å; M56-I773 HydrophobicContact SD-CG2 3.94Å |
| 57 | G | 96.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.6 | -49.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V53 C54 Y59 M60 G61 C62 | V53-G57 PolarHBondContact O-N 3.22Å; C54-G57 PolarHBondContact O-N 3.2Å; G57-Y59 VanDerWaalsContact C-N 3.34Å; G57-Y59 PolarHBondContact O-N 2.98Å; G57-M60 PolarHBondContact O-N 3.19Å; G57-G61 PolarHBondContact O-N 3.44Å; G57-C62 WeakPolarHBondContact O-CB 3.37Å; G57-C62 PolarHBondContact O-N 2.61Å |
| 58 | L | 96.1 | Very high | 97.3 | Very high | 47 Ų | 47 | 16.7 Ų | 16.7 | 25% | 0.246 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.4 | -40 | 176.6 | -66.9 | 172.8 | 0 | 0 | 0 | 112.3 | C54 M60 G61 V64 W86 | C54-L58 VanDerWaalsContact O-CG 3.26Å; C54-L58 WeakPolarHBondContact O-CG 3.48Å; C54-L58 PolarHBondContact O-N 3.45Å; L58-M60 VanDerWaalsContact C-N 3.32Å; L58-M60 PolarHBondContact O-N 3.06Å; L58-G61 PolarHBondContact O-N 2.95Å; L58-V64 HydrophobicContact CG-CG2 4.45Å; L58-W86 HydrophobicContact CB-CE3 4.44Å; L58-W86 HydrophobicContact CD1-CB 4.41Å; L58-W86 HydrophobicContact CD1-CE3 4.2Å |
| 59 | Y | 95.1 | Very high | 97.3 | Very high | 31 Ų | 31 | 20.4 Ų | 20.4 | 12% | 0.122 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 176.8 | 179.7 | -98.2 | 0 | 0 | 0 | 112.3 | V24 P26 L27 R55 M56 G57 G61 I773 | V24-Y59 HydrophobicContact CB-CE1 4.25Å; V24-Y59 HydrophobicContact CG1-CD1 4.27Å; V24-Y59 HydrophobicContact CG1-CE1 4.05Å; V24-Y59 WeakPolarHBondContact O-CE1 3.48Å; V24-Y59 PolarHBondContact O-OH 3.29Å; P26-Y59 WeakPolarHBondContact CA-O 3.39Å; P26-Y59 HydrophobicContact CB-CD2 4.44Å; P26-Y59 HydrophobicContact CB-CE1 4.19Å; P26-Y59 HydrophobicContact CB-CE2 3.95Å; L27-Y59 PolarHBondContact N-O 3.1Å; R55-Y59 VanDerWaalsContact O-CB 3.25Å; R55-Y59 WeakPolarHBondContact O-CB 3.49Å; R55-Y59 PolarHBondContact O-N 3.26Å; M56-Y59 PolarHBondContact O-N 2.88Å; M56-Y59 HydrophobicContact SD-CD1 4.29Å; G57-Y59 VanDerWaalsContact C-N 3.34Å; G57-Y59 PolarHBondContact O-N 2.98Å; Y59-G61 PolarHBondContact O-N 3.36Å; Y59-I773 HydrophobicContact CD1-CD1 4.31Å; Y59-I773 HydrophobicContact CD1-CG1 4.24Å; Y59-I773 HydrophobicContact CD1-CG2 3.83Å; Y59-I773 HydrophobicContact CD2-CG1 4.42Å; Y59-I773 HydrophobicContact CD2-CG2 3.99Å; Y59-I773 HydrophobicContact CE1-CD1 3.89Å; Y59-I773 HydrophobicContact CE1-CG1 3.89Å; Y59-I773 HydrophobicContact CE1-CG2 4.35Å; Y59-I773 HydrophobicContact CE2-CG1 4.07Å; Y59-I773 HydrophobicContact CE2-CG2 4.48Å; Y59-I773 HydrophobicContact CG-CG1 4.5Å; Y59-I773 HydrophobicContact CG-CG2 3.64Å |
| 60 | M | 94.7 | Very high | 97.2 | Very high | 10 Ų | 10 | 20.4 Ų | 20.4 | 5% | 0.049 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -4.1 | 175.8 | -64.8 | -176.5 | 73.6 | 0 | 0 | 113.3 | V24 L27 T28 N29 M56 G57 L58 V337 M341 | V24-M60 HydrophobicContact CG1-CE 4.27Å; V24-M60 HydrophobicContact CG1-CG 3.89Å; V24-M60 HydrophobicContact CG1-SD 4.08Å; L27-M60 CarbonylContact C-O 3.56Å; L27-M60 VanDerWaalsContact C-O 3.22Å; L27-M60 VanDerWaalsContact CA-O 3.28Å; L27-M60 WeakPolarHBondContact CA-O 3.36Å; T28-M60 PolarHBondContact N-O 3.44Å; T28-M60 VanDerWaalsContact N-O 3.13Å; N29-M60 WeakPolarHBondContact CA-O 3.46Å; N29-M60 HydrophobicContact CB-CB 4.4Å; N29-M60 PolarHBondContact N-O 2.89Å; N29-M60 VanDerWaalsContact OD1-CE 3.31Å; N29-M60 WeakPolarHBondContact OD1-CE 3.42Å; M56-M60 HydrophobicContact CG-SD 4.27Å; M56-M60 WeakPolarHBondContact O-CG 3.19Å; M56-M60 PolarHBondContact O-N 2.9Å; M56-M60 HydrophobicContact SD-CG 4.33Å; M56-M60 HydrophobicContact SD-SD 4.35Å; G57-M60 PolarHBondContact O-N 3.19Å; L58-M60 VanDerWaalsContact C-N 3.32Å; L58-M60 PolarHBondContact O-N 3.06Å; M60-V337 HydrophobicContact SD-CG1 3.75Å; M60-M341 HydrophobicContact CE-CB 4Å; M60-M341 HydrophobicContact CE-CG 3.81Å; M60-M341 HydrophobicContact SD-CG 4.31Å |
| 61 | G | 95 | Very high | 97.2 | Very high | 16 Ų | 16 | 21.2 Ų | 21.2 | 17% | 0.165 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | 4.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | T30 G57 L58 Y59 | T30-G61 WeakPolarHBondContact CA-O 3.33Å; G57-G61 PolarHBondContact O-N 3.44Å; L58-G61 PolarHBondContact O-N 2.95Å; Y59-G61 PolarHBondContact O-N 3.36Å |
| 62 | C | 96.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 3% | 0.027 | 10% | 0.104 | C | C | . | . | trans | -73.1 | 153.6 | 177.8 | -49.1 | 0 | 0 | 0 | 0 | 111.2 | D32 I34 G57 | D32-C62 HydrophobicContact CB-CB 4.47Å; D32-C62 CarbonylContact O-C 3.31Å; D32-C62 VanDerWaalsContact O-CA 3.25Å; D32-C62 WeakPolarHBondContact O-CA 3.44Å; D32-C62 WeakPolarHBondContact O-CB 3.49Å; I34-C62 HydrophobicContact CD1-CB 3.89Å; I34-C62 HydrophobicContact CG1-CB 4.21Å; G57-C62 WeakPolarHBondContact O-CB 3.37Å; G57-C62 PolarHBondContact O-N 2.61Å | ||
| 63 | K | 98 | Very high | 97.2 | Very high | 121 Ų | 121 | 22.3 Ų | 22.3 | 53% | 0.526 | 10% | 0.104 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 132.3 | 161.5 | -67.8 | -178.2 | -179.3 | 179 | 0 | 109.1 | D32 V33 I34 Y65 L83 | D32-K63 PolarHBondContact O-N 3.21Å; V33-K63 CarbonylContact C-O 3.34Å; V33-K63 WeakPolarHBondContact CA-O 3.35Å; V33-K63 HydrophobicContact CG1-CB 4.29Å; V33-K63 HydrophobicContact CG2-CB 4.35Å; I34-K63 PolarHBondContact N-O 3.09Å; K63-Y65 HydrophobicContact CB-CE2 4.36Å; K63-L83 HydrophobicContact CB-CD1 4.18Å |
| 64 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.8 | 179.1 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | I34 V36 L58 F66 A84 | I34-V64 CarbonylContact O-C 3.48Å; I34-V64 WeakPolarHBondContact O-CA 3.25Å; V36-V64 HydrophobicContact CG1-CG1 4.14Å; L58-V64 HydrophobicContact CG-CG2 4.45Å; V64-F66 HydrophobicContact CG1-CD1 4.48Å; V64-F66 HydrophobicContact CG1-CE1 4.24Å; V64-A84 PolarHBondContact O-N 2.99Å |
| 65 | Y | 98.6 | Very high | 97.2 | Very high | 41 Ų | 41 | 22.4 Ų | 22.4 | 16% | 0.161 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 137 | 174.8 | -76.9 | -95.8 | 0 | 0 | 0 | 110.6 | V33 I34 G35 V36 K63 I81 T82 L83 C124 I126 | V33-Y65 HydrophobicContact CG1-CD2 3.54Å; V33-Y65 HydrophobicContact CG1-CE2 3.64Å; I34-Y65 PolarHBondContact O-N 3.48Å; G35-Y65 CarbonylContact C-O 3.51Å; G35-Y65 WeakPolarHBondContact CA-O 3.19Å; V36-Y65 PolarHBondContact N-O 2.82Å; K63-Y65 HydrophobicContact CB-CE2 4.36Å; Y65-I81 HydrophobicContact CD1-CG2 3.87Å; Y65-I81 HydrophobicContact CG-CG2 4.3Å; Y65-T82 CarbonylContact C-O 3.05Å; Y65-T82 WeakPolarHBondContact CA-O 3.49Å; Y65-L83 HydrophobicContact CD1-CB 4.28Å; Y65-L83 HydrophobicContact CD2-CD1 4.08Å; Y65-L83 HydrophobicContact CE1-CB 3.91Å; Y65-L83 HydrophobicContact CE1-CD1 4.17Å; Y65-L83 HydrophobicContact CE2-CD1 3.68Å; Y65-L83 HydrophobicContact CG-CD1 4.49Å; Y65-C124 HydrophobicContact CD1-CB 4.46Å; Y65-C124 HydrophobicContact CE1-CB 4.26Å; Y65-I126 HydrophobicContact CD2-CD1 4.28Å; Y65-I126 HydrophobicContact CD2-CG1 4.19Å; Y65-I126 HydrophobicContact CG-CD1 4.01Å; Y65-I126 HydrophobicContact CG-CG1 4.42Å |
| 66 | F | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.3 | 168.8 | -71.4 | -2.1 | 0 | 0 | 0 | 109.2 | V36 L50 C54 V64 I81 T82 A84 T88 V89 I99 I100 | V36-F66 HydrophobicContact CG1-CD1 3.43Å; V36-F66 VanDerWaalsContact CG1-CD1 3.43Å; V36-F66 HydrophobicContact CG1-CE1 3.63Å; L50-F66 HydrophobicContact CD1-CD1 4.02Å; L50-F66 HydrophobicContact CD1-CE1 3.68Å; L50-F66 HydrophobicContact CD1-CZ 3.99Å; L50-F66 HydrophobicContact CD2-CE2 4.15Å; L50-F66 HydrophobicContact CD2-CZ 4.12Å; L50-F66 HydrophobicContact CG-CE1 4.1Å; L50-F66 HydrophobicContact CG-CE2 4.42Å; L50-F66 HydrophobicContact CG-CZ 3.9Å; C54-F66 HydrophobicContact CB-CE1 4.05Å; C54-F66 HydrophobicContact CB-CZ 4.03Å; V64-F66 HydrophobicContact CG1-CD1 4.48Å; V64-F66 HydrophobicContact CG1-CE1 4.24Å; F66-I81 CarbonylContact O-C 3.51Å; F66-I81 WeakPolarHBondContact O-CA 3.33Å; F66-T82 PolarHBondContact N-O 3.06Å; F66-T82 PolarHBondContact O-N 3.47Å; F66-A84 HydrophobicContact CD1-CB 3.68Å; F66-A84 HydrophobicContact CD2-CB 4.05Å; F66-A84 HydrophobicContact CE1-CB 3.51Å; F66-A84 HydrophobicContact CE2-CB 3.91Å; F66-A84 HydrophobicContact CG-CB 3.95Å; F66-A84 HydrophobicContact CZ-CB 3.64Å; F66-T88 HydrophobicContact CD2-CG2 4.07Å; F66-T88 HydrophobicContact CE2-CG2 3.66Å; F66-V89 HydrophobicContact CE2-CG1 3.88Å; F66-V89 HydrophobicContact CZ-CG1 3.43Å; F66-V89 VanDerWaalsContact CZ-CG1 3.43Å; F66-I99 HydrophobicContact CE2-CD1 4.44Å; F66-I100 HydrophobicContact CB-CG2 3.93Å; F66-I100 HydrophobicContact CD2-CG2 3.56Å; F66-I100 HydrophobicContact CE2-CG2 4.26Å; F66-I100 HydrophobicContact CG-CG2 3.89Å |
| 67 | I | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 107.4 | 173.8 | -53.5 | 166.5 | 0 | 0 | 0 | 106.3 | V36 F37 M74 N80 I81 L121 L129 | V36-I67 PolarHBondContact O-N 3.32Å; F37-I67 HydrophobicContact CB-CB 3.8Å; F37-I67 HydrophobicContact CB-CD1 4.32Å; F37-I67 HydrophobicContact CB-CG2 4.29Å; I67-M74 HydrophobicContact CD1-CE 3.92Å; I67-M74 HydrophobicContact CD1-CG 4.48Å; I67-M74 HydrophobicContact CG2-CB 3.81Å; I67-M74 HydrophobicContact CG2-CG 4.3Å; I67-N80 CarbonylContact C-O 3.55Å; I67-N80 WeakPolarHBondContact CA-O 3.42Å; I67-I81 HydrophobicContact CG1-CG1 4.38Å; I67-I81 HydrophobicContact CG1-CG2 4.36Å; I67-I81 HydrophobicContact CG2-CG1 4.41Å; I67-L121 HydrophobicContact CD1-CD2 3.7Å; I67-L129 HydrophobicContact CD1-CD1 3.75Å |
| 68 | H | 98.1 | Very high | 97.1 | Very high | 47 Ų | 47 | 28.8 Ų | 28.8 | 22% | 0.218 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 155.3 | -177.8 | -62.9 | -86.1 | 0 | 0 | 0 | 111.1 | G70 G73 N80 T82 I100 | H68-G70 PolarHBondContact O-N 2.9Å; H68-G73 WeakPolarHBondContact O-CA 3.42Å; H68-G73 PolarHBondContact O-N 2.94Å; H68-N80 PolarHBondContact CD2-O 2.85Å; H68-N80 PolarHBondContact N-O 3.43Å; H68-T82 PolarHBondContact NE2-OG1 3.1Å; H68-I100 CarbonylContact C-O 3.49Å; H68-I100 WeakPolarHBondContact CA-O 3.18Å |
| 69 | E | 97.3 | Very high | 97.1 | Very high | 78 Ų | 78 | 34 Ų | 34 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 27.6 | 177 | -55.6 | -49.9 | 137.6 | 0 | 0 | 114.6 | Y71 Q72 I100 G101 S102 A103 | E69-Y71 PolarHBondContact O-N 3.37Å; E69-Q72 HydrophobicContact CB-CB 4.47Å; E69-Q72 WeakPolarHBondContact O-CB 3.48Å; E69-Q72 PolarHBondContact O-N 3.25Å; E69-I100 PolarHBondContact N-O 2.75Å; E69-G101 WeakPolarHBondContact OE1-CA 3.41Å; E69-S102 PolarHBondContact OE2-N 3.12Å; E69-A103 HydrophobicContact CB-CB 3.89Å; E69-A103 PolarHBondContact O-N 2.95Å |
| 70 | G | 96.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | -131.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T38 H68 Q72 M74 | T38-G70 WeakPolarHBondContact O-CA 3.43Å; H68-G70 PolarHBondContact O-N 2.9Å; G70-Q72 PolarHBondContact O-N 3.25Å; G70-M74 PolarHBondContact O-N 3.02Å |
| 71 | Y | 97.7 | Very high | 97.4 | Very high | 17 Ų | 17 | 33.3 Ų | 33.3 | 7% | 0.067 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.2 | -28.6 | 178.5 | -72.8 | -61.4 | 0 | 0 | 0 | 112.6 | F37 S39 E69 M74 V75 F108 S137 A141 | F37-Y71 AromaticContact CE2-CD1 3.94Å; F37-Y71 HydrophobicContact CE2-CD1 3.94Å; F37-Y71 HydrophobicContact CE2-CD2 4.21Å; F37-Y71 AromaticContact CE2-CE1 3.56Å; F37-Y71 HydrophobicContact CE2-CE1 3.56Å; F37-Y71 AromaticContact CE2-CE2 3.87Å; F37-Y71 HydrophobicContact CE2-CE2 3.87Å; F37-Y71 HydrophobicContact CE2-CG 4.24Å; F37-Y71 AromaticContact CE2-CZ 3.53Å; F37-Y71 HydrophobicContact CZ-CD1 4.33Å; F37-Y71 AromaticContact CZ-CE1 3.58Å; F37-Y71 HydrophobicContact CZ-CE1 3.58Å; F37-Y71 HydrophobicContact CZ-CE2 4.39Å; F37-Y71 AromaticContact CZ-CZ 3.61Å; S39-Y71 VanDerWaalsContact OG-CD2 3.31Å; S39-Y71 WeakPolarHBondContact OG-CD2 3.18Å; E69-Y71 PolarHBondContact O-N 3.37Å; Y71-M74 HydrophobicContact CD1-CE 4.04Å; Y71-M74 HydrophobicContact CD1-SD 4.26Å; Y71-M74 HydrophobicContact CE1-CE 4.2Å; Y71-M74 WeakPolarHBondContact O-CB 3.44Å; Y71-M74 PolarHBondContact O-N 3.37Å; Y71-V75 WeakPolarHBondContact O-CG2 3.28Å; Y71-V75 PolarHBondContact O-N 2.98Å; Y71-F108 AromaticContact CD1-CD1 3.7Å; Y71-F108 HydrophobicContact CD1-CD1 3.7Å; Y71-F108 AromaticContact CD1-CD2 3.82Å; Y71-F108 HydrophobicContact CD1-CD2 3.82Å; Y71-F108 AromaticContact CD1-CE1 3.44Å; Y71-F108 HydrophobicContact CD1-CE1 3.44Å; Y71-F108 VanDerWaalsContact CD1-CE1 3.44Å; Y71-F108 AromaticContact CD1-CE2 3.56Å; Y71-F108 HydrophobicContact CD1-CE2 3.56Å; Y71-F108 AromaticContact CD1-CG 3.88Å; Y71-F108 HydrophobicContact CD1-CG 3.88Å; Y71-F108 AromaticContact CD1-CZ 3.36Å; Y71-F108 HydrophobicContact CD1-CZ 3.36Å; Y71-F108 HydrophobicContact CD2-CD1 4.32Å; Y71-F108 HydrophobicContact CE1-CD1 4.06Å; Y71-F108 AromaticContact CE1-CE1 3.4Å; Y71-F108 HydrophobicContact CE1-CE1 3.4Å; Y71-F108 HydrophobicContact CE1-CE2 4.09Å; Y71-F108 AromaticContact CE1-CZ 3.41Å; Y71-F108 HydrophobicContact CE1-CZ 3.41Å; Y71-F108 VanDerWaalsContact CE1-CZ 3.41Å; Y71-F108 AromaticContact CG-CD1 3.85Å; Y71-F108 HydrophobicContact CG-CD1 3.85Å; Y71-F108 HydrophobicContact CG-CD2 4.22Å; Y71-F108 HydrophobicContact CG-CE1 4.05Å; Y71-F108 HydrophobicContact CG-CE2 4.4Å; Y71-F108 AromaticContact CG-CG 3.94Å; Y71-F108 HydrophobicContact CG-CG 3.94Å; Y71-F108 HydrophobicContact CG-CZ 4.32Å; Y71-F108 AromaticContact CZ-CE1 3.98Å; Y71-S137 PolarHBondContact OH-O 2.91Å; Y71-A141 WeakPolarHBondContact OH-CA 3.39Å; Y71-A141 WeakPolarHBondContact OH-CB 3.28Å; Y71-A141 PolarHBondContact OH-N 2.94Å |
| 72 | Q | 97.5 | Very high | 97.5 | Very high | 31 Ų | 31 | 35 Ų | 35 | 15% | 0.145 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66 | -50.1 | -178.3 | -173 | 59 | 28.7 | 0 | 0 | 110.7 | E69 G70 M74 V75 E76 A103 S105 D107 | E69-Q72 HydrophobicContact CB-CB 4.47Å; E69-Q72 WeakPolarHBondContact O-CB 3.48Å; E69-Q72 PolarHBondContact O-N 3.25Å; G70-Q72 PolarHBondContact O-N 3.25Å; Q72-M74 PolarHBondContact O-N 3.41Å; Q72-V75 PolarHBondContact O-N 2.87Å; Q72-V75 VanDerWaalsContact O-N 3.1Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.42Å; Q72-E76 PolarHBondContact NE2-OE1 3.04Å; Q72-E76 WeakPolarHBondContact O-CG 3.43Å; Q72-E76 PolarHBondContact O-N 2.99Å; Q72-A103 HydrophobicContact CB-CB 3.96Å; Q72-S105 VanDerWaalsContact OE1-CB 3.28Å; Q72-S105 PolarHBondContact OE1-OG 2.92Å; Q72-D107 PolarHBondContact NE2-OD2 3.24Å |
| 73 | G | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.7 | -23.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | H68 G77 N80 | H68-G73 WeakPolarHBondContact O-CA 3.42Å; H68-G73 PolarHBondContact O-N 2.94Å; G73-G77 PolarHBondContact O-N 2.86Å; G73-N80 WeakPolarHBondContact O-CB 3.5Å |
| 74 | M | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | 170 | -158.3 | -174.7 | -68.4 | 0 | 0 | 111.9 | F37 I67 G70 Y71 Q72 F108 A117 N120 L121 L129 F144 | F37-M74 HydrophobicContact CD1-CE 3.87Å; F37-M74 HydrophobicContact CD2-CE 4.21Å; F37-M74 HydrophobicContact CE1-CE 3.84Å; F37-M74 HydrophobicContact CE2-CE 4.16Å; F37-M74 HydrophobicContact CG-CE 4.06Å; F37-M74 HydrophobicContact CZ-CE 3.97Å; I67-M74 HydrophobicContact CD1-CE 3.92Å; I67-M74 HydrophobicContact CD1-CG 4.48Å; I67-M74 HydrophobicContact CG2-CB 3.81Å; I67-M74 HydrophobicContact CG2-CG 4.3Å; G70-M74 PolarHBondContact O-N 3.02Å; Y71-M74 HydrophobicContact CD1-CE 4.04Å; Y71-M74 HydrophobicContact CD1-SD 4.26Å; Y71-M74 HydrophobicContact CE1-CE 4.2Å; Y71-M74 WeakPolarHBondContact O-CB 3.44Å; Y71-M74 PolarHBondContact O-N 3.37Å; Q72-M74 PolarHBondContact O-N 3.41Å; M74-F108 HydrophobicContact SD-CE2 4.21Å; M74-A117 HydrophobicContact CB-CB 4.35Å; M74-A117 HydrophobicContact CG-CB 3.87Å; M74-A117 WeakPolarHBondContact O-CA 3.45Å; M74-A117 HydrophobicContact SD-CB 4.07Å; M74-N120 PolarHBondContact O-ND2 3.08Å; M74-L121 HydrophobicContact CG-CD1 4.36Å; M74-L121 HydrophobicContact CG-CD2 4.05Å; M74-L121 HydrophobicContact CG-CG 4.13Å; M74-L121 HydrophobicContact SD-CD1 3.9Å; M74-L121 HydrophobicContact SD-CD2 4.45Å; M74-L121 HydrophobicContact SD-CG 4.33Å; M74-L129 HydrophobicContact CE-CD1 4.25Å; M74-L129 HydrophobicContact CE-CD2 4.11Å; M74-F144 HydrophobicContact SD-CE1 4.37Å; M74-F144 HydrophobicContact SD-CZ 4.49Å |
| 75 | V | 97.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.7 | -39.4 | 176.8 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | Y71 Q72 D107 F108 K116 A117 N120 | Y71-V75 WeakPolarHBondContact O-CG2 3.28Å; Y71-V75 PolarHBondContact O-N 2.98Å; Q72-V75 PolarHBondContact O-N 2.87Å; Q72-V75 VanDerWaalsContact O-N 3.1Å; V75-D107 HydrophobicContact CG1-CB 3.97Å; V75-D107 HydrophobicContact CG2-CB 4.48Å; V75-F108 HydrophobicContact CG2-CB 4.28Å; V75-F108 HydrophobicContact CG2-CD2 3.73Å; V75-K116 HydrophobicContact CG1-CB 4.4Å; V75-K116 HydrophobicContact CG1-CD 3.99Å; V75-K116 VanDerWaalsContact O-CD 3.25Å; V75-K116 WeakPolarHBondContact O-CD 3.25Å; V75-K116 WeakPolarHBondContact O-CE 3.29Å; V75-K116 WeakPolarHBondContact O-CG 3.28Å; V75-A117 HydrophobicContact CG2-CB 4.13Å; V75-N120 VanDerWaalsContact C-ND2 3.34Å; V75-N120 PolarHBondContact O-ND2 3.22Å |
| 76 | E | 97.3 | Very high | 96.9 | Very high | 92 Ų | 92 | 39 Ų | 39 | 43% | 0.43 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -72.2 | -37.9 | -179.6 | -71.8 | 173 | -174.9 | 0 | 0 | 112.4 | Q72 N80 | Q72-E76 WeakPolarHBondContact CG-OE1 3.42Å; Q72-E76 PolarHBondContact NE2-OE1 3.04Å; Q72-E76 WeakPolarHBondContact O-CG 3.43Å; Q72-E76 PolarHBondContact O-N 2.99Å; E76-N80 VanDerWaalsContact CB-ND2 3.34Å; E76-N80 WeakPolarHBondContact CB-ND2 3.46Å; E76-N80 PolarHBondContact OE2-ND2 3.44Å |
| 77 | G | 95.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | trans | 66.9 | -158.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G73 H79 N80 N120 | G73-G77 PolarHBondContact O-N 2.86Å; G77-H79 PolarHBondContact O-N 2.9Å; G77-N80 PolarHBondContact O-N 3.34Å; G77-N120 WeakPolarHBondContact CA-ND2 3.49Å; G77-N120 PolarHBondContact N-ND2 3.25Å | ||
| 78 | G | 95.4 | Very high | 96.1 | Very high | 63 Ų | 63 | 46.1 Ų | 46.1 | 65% | 0.649 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | 60.2 | -120.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | N80 I81 | G78-N80 PolarHBondContact O-N 2.98Å; G78-I81 PolarHBondContact O-N 3.34Å |
| 79 | H | 95.4 | Very high | 95.9 | Very high | 157 Ų | 157 | 43.9 Ų | 43.9 | 73% | 0.727 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -65.4 | -16.3 | -177.8 | 68.5 | -82.6 | 0 | 0 | 0 | 113.8 | G77 I81 T82 | G77-H79 PolarHBondContact O-N 2.9Å; H79-I81 VanDerWaalsContact C-N 3.29Å; H79-T82 WeakPolarHBondContact O-CG2 3.38Å |
| 80 | N | 97.9 | Very high | 95.4 | Very high | 14 Ų | 14 | 42.2 Ų | 42.2 | 8% | 0.075 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -79.9 | -7.8 | 174 | -69.4 | -42.3 | 0 | 0 | 0 | 113.4 | I67 H68 G73 E76 G77 G78 | I67-N80 CarbonylContact C-O 3.55Å; I67-N80 WeakPolarHBondContact CA-O 3.42Å; H68-N80 PolarHBondContact CD2-O 2.85Å; H68-N80 PolarHBondContact N-O 3.43Å; G73-N80 WeakPolarHBondContact O-CB 3.5Å; E76-N80 VanDerWaalsContact CB-ND2 3.34Å; E76-N80 WeakPolarHBondContact CB-ND2 3.46Å; E76-N80 PolarHBondContact OE2-ND2 3.44Å; G77-N80 PolarHBondContact O-N 3.34Å; G78-N80 PolarHBondContact O-N 2.98Å |
| 81 | I | 98.5 | Very high | 95 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 92.6 | 175.9 | -53.2 | -178.9 | 0 | 0 | 0 | 108.9 | Y65 F66 I67 G78 H79 N120 C124 I126 | Y65-I81 HydrophobicContact CD1-CG2 3.87Å; Y65-I81 HydrophobicContact CG-CG2 4.3Å; F66-I81 CarbonylContact O-C 3.51Å; F66-I81 WeakPolarHBondContact O-CA 3.33Å; I67-I81 HydrophobicContact CG1-CG1 4.38Å; I67-I81 HydrophobicContact CG1-CG2 4.36Å; I67-I81 HydrophobicContact CG2-CG1 4.41Å; G78-I81 PolarHBondContact O-N 3.34Å; H79-I81 VanDerWaalsContact C-N 3.29Å; I81-N120 HydrophobicContact CD1-CB 3.88Å; I81-C124 HydrophobicContact CG2-CB 4.35Å; I81-I126 HydrophobicContact CG2-CD1 3.81Å |
| 82 | T | 98.2 | Very high | 94.8 | Very high | 51 Ų | 51 | 44 Ų | 44 | 31% | 0.313 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 138.8 | -171.4 | 60.9 | 0 | 0 | 0 | 0 | 112.1 | Y65 F66 H68 H79 A84 | Y65-T82 CarbonylContact C-O 3.05Å; Y65-T82 WeakPolarHBondContact CA-O 3.49Å; F66-T82 PolarHBondContact N-O 3.06Å; F66-T82 PolarHBondContact O-N 3.47Å; H68-T82 PolarHBondContact NE2-OG1 3.1Å; H79-T82 WeakPolarHBondContact O-CG2 3.38Å; T82-A84 PolarHBondContact O-N 3.39Å |
| 83 | L | 97.8 | Very high | 94.7 | Very high | 99 Ų | 99 | 42.7 Ų | 42.7 | 52% | 0.518 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 124.8 | 173 | -174.5 | 70.6 | 0 | 0 | 0 | 110.1 | K63 Y65 | K63-L83 HydrophobicContact CB-CD1 4.18Å; Y65-L83 HydrophobicContact CD1-CB 4.28Å; Y65-L83 HydrophobicContact CD2-CD1 4.08Å; Y65-L83 HydrophobicContact CE1-CB 3.91Å; Y65-L83 HydrophobicContact CE1-CD1 4.17Å; Y65-L83 HydrophobicContact CE2-CD1 3.68Å; Y65-L83 HydrophobicContact CG-CD1 4.49Å |
| 84 | A | 96.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 150.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V64 F66 T82 | V64-A84 PolarHBondContact O-N 2.99Å; F66-A84 HydrophobicContact CD1-CB 3.68Å; F66-A84 HydrophobicContact CD2-CB 4.05Å; F66-A84 HydrophobicContact CE1-CB 3.51Å; F66-A84 HydrophobicContact CE2-CB 3.91Å; F66-A84 HydrophobicContact CG-CB 3.95Å; F66-A84 HydrophobicContact CZ-CB 3.64Å; T82-A84 PolarHBondContact O-N 3.39Å |
| 85 | N | 93.6 | Very high | 94.4 | Very high | 82 Ų | 82 | 50.5 Ų | 50.5 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | trans | -130.3 | -178.3 | 171.6 | 65.6 | 48.3 | 0 | 0 | 0 | 110.4 | C54 D87 T88 | C54-N85 PolarHBondContact SG-O 2.94Å; N85-D87 PolarHBondContact O-N 3.3Å; N85-D87 WeakPolarHBondContact OD1-CA 3.14Å; N85-D87 WeakPolarHBondContact OD1-CB 3.4Å; N85-D87 PolarHBondContact OD1-N 3.32Å; N85-T88 PolarHBondContact N-OG1 2.88Å; N85-T88 WeakPolarHBondContact O-CB 3.34Å; N85-T88 PolarHBondContact O-N 3.18Å; N85-T88 PolarHBondContact O-OG1 3.19Å; N85-T88 PolarHBondContact OD1-N 3.21Å; N85-T88 PolarHBondContact OD1-OG1 3.09Å; N85-T88 VanDerWaalsContact OD1-OG1 3.06Å | ||
| 86 | W | 90.7 | Very high | 94.1 | Very high | 67 Ų | 67 | 52.3 Ų | 52.3 | 25% | 0.254 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -36.8 | -176.7 | -164.4 | -90.1 | 0 | 0 | 0 | 113.5 | R55 L58 I773 L774 G776 | R55-W86 HydrophobicContact CB-CE3 4.36Å; R55-W86 HydrophobicContact CB-CH2 3.88Å; R55-W86 HydrophobicContact CB-CZ2 4.47Å; R55-W86 HydrophobicContact CB-CZ3 3.82Å; R55-W86 HydrophobicContact CG-CD2 4.18Å; R55-W86 HydrophobicContact CG-CE3 4.03Å; R55-W86 HydrophobicContact CG-CH2 3.96Å; R55-W86 HydrophobicContact CG-CZ2 4.1Å; R55-W86 HydrophobicContact CG-CZ3 3.93Å; L58-W86 HydrophobicContact CB-CE3 4.44Å; L58-W86 HydrophobicContact CD1-CB 4.41Å; L58-W86 HydrophobicContact CD1-CE3 4.2Å; W86-I773 VanDerWaalsContact CH2-O 3.27Å; W86-I773 WeakPolarHBondContact CH2-O 3.46Å; W86-L774 WeakPolarHBondContact CZ2-O 3.33Å; W86-G776 VanDerWaalsContact CZ2-N 3.33Å |
| 87 | D | 88.3 | Confident | 93.9 | Very high | 95 Ų | 95 | 48.3 Ų | 48.3 | 51% | 0.508 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -82 | -25.7 | -175.3 | -63.7 | -41.5 | 0 | 0 | 0 | 112.5 | N85 V89 S90 | N85-D87 PolarHBondContact O-N 3.3Å; N85-D87 WeakPolarHBondContact OD1-CA 3.14Å; N85-D87 WeakPolarHBondContact OD1-CB 3.4Å; N85-D87 PolarHBondContact OD1-N 3.32Å; D87-V89 PolarHBondContact O-N 3.44Å; D87-S90 WeakPolarHBondContact O-CB 3.3Å; D87-S90 PolarHBondContact O-N 3.07Å |
| 88 | T | 91.3 | Very high | 93.9 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 34% | 0.344 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -56 | -26.7 | 174.9 | -43.4 | 0 | 0 | 0 | 0 | 112.5 | F66 N85 | F66-T88 HydrophobicContact CD2-CG2 4.07Å; F66-T88 HydrophobicContact CE2-CG2 3.66Å; N85-T88 PolarHBondContact N-OG1 2.88Å; N85-T88 WeakPolarHBondContact O-CB 3.34Å; N85-T88 PolarHBondContact O-N 3.18Å; N85-T88 PolarHBondContact O-OG1 3.19Å; N85-T88 PolarHBondContact OD1-N 3.21Å; N85-T88 PolarHBondContact OD1-OG1 3.09Å; N85-T88 VanDerWaalsContact OD1-OG1 3.06Å |
| 89 | V | 93.2 | Very high | 94 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -113.6 | 18.2 | 179.4 | -62.8 | 0 | 0 | 0 | 0 | 113.4 | R51 C54 R55 F66 D87 V92 | R51-V89 HydrophobicContact CB-CB 4.02Å; R51-V89 HydrophobicContact CB-CG2 4.43Å; R51-V89 HydrophobicContact CG-CB 3.98Å; R51-V89 HydrophobicContact CG-CG2 3.98Å; C54-V89 HydrophobicContact CB-CG1 3.92Å; C54-V89 HydrophobicContact CB-CG2 4.09Å; R55-V89 HydrophobicContact CG-CG2 3.9Å; F66-V89 HydrophobicContact CE2-CG1 3.88Å; F66-V89 HydrophobicContact CZ-CG1 3.43Å; F66-V89 VanDerWaalsContact CZ-CG1 3.43Å; D87-V89 PolarHBondContact O-N 3.44Å; V89-V92 HydrophobicContact CB-CG2 4.08Å; V89-V92 WeakPolarHBondContact O-CG2 3.42Å |
| 90 | S | 88.7 | Confident | 94.1 | Very high | 42 Ų | 42 | 41.9 Ų | 41.9 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 136 | 170.8 | -73.2 | 0 | 0 | 0 | 0 | 110.1 | R55 D87 V92 | R55-S90 PolarHBondContact NH2-OG 2.98Å; D87-S90 WeakPolarHBondContact O-CB 3.3Å; D87-S90 PolarHBondContact O-N 3.07Å; S90-V92 VanDerWaalsContact C-N 3.26Å; S90-V92 WeakPolarHBondContact O-CG1 3.39Å; S90-V92 PolarHBondContact O-N 3.38Å |
| 91 | D | 86.9 | Confident | 94 | Very high | 51 Ų | 51 | 42 Ų | 42 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 29.8 | 176.8 | -64.8 | -2.5 | 0 | 0 | 0 | 116.1 | Q94 R95 R643 | D91-Q94 PolarHBondContact O-NE2 3.44Å; D91-Q94 VanDerWaalsContact O-NE2 3.11Å; D91-R95 PolarHBondContact O-NE 2.9Å; D91-R95 VanDerWaalsContact O-NE 3.1Å; D91-R643 IonicContact OD1-CZ 2.69Å; D91-R643 VanDerWaalsContact OD1-CZ 3.22Å; D91-R643 IonicContact OD1-NE 3.72Å; D91-R643 PolarHBondContact OD1-NE 3.31Å; D91-R643 IonicContact OD1-NH2 2.94Å; D91-R643 PolarHBondContact OD1-NH2 2.84Å; D91-R643 IonicContact OD2-CZ 3.1Å; D91-R643 IonicContact OD2-NE 2.71Å; D91-R643 PolarHBondContact OD2-NE 2.81Å; D91-R643 IonicContact OD2-NH2 3.53Å |
| 92 | V | 93.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | trans | -103.5 | -15.7 | 175.5 | -50.6 | 0 | 0 | 0 | 0 | 113.9 | N47 R51 V89 S90 Q94 R95 I99 | N47-V92 HydrophobicContact CB-CB 4.39Å; N47-V92 HydrophobicContact CB-CG2 4.36Å; N47-V92 VanDerWaalsContact CB-O 3.3Å; N47-V92 WeakPolarHBondContact CB-O 3.44Å; R51-V92 HydrophobicContact CB-CG2 4.07Å; V89-V92 HydrophobicContact CB-CG2 4.08Å; V89-V92 WeakPolarHBondContact O-CG2 3.42Å; S90-V92 VanDerWaalsContact C-N 3.26Å; S90-V92 WeakPolarHBondContact O-CG1 3.39Å; S90-V92 PolarHBondContact O-N 3.38Å; V92-Q94 PolarHBondContact O-N 2.92Å; V92-R95 WeakPolarHBondContact O-CB 3.32Å; V92-R95 PolarHBondContact O-N 3.22Å; V92-I99 HydrophobicContact CB-CD1 4.25Å; V92-I99 HydrophobicContact CB-CG2 4.25Å; V92-I99 HydrophobicContact CG1-CD1 3.82Å; V92-I99 HydrophobicContact CG1-CG2 4.09Å; V92-I99 HydrophobicContact CG2-CD1 4.36Å | ||
| 93 | I | 95.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -32.3 | -172.9 | -167 | 166 | 0 | 0 | 0 | 113.4 | A48 P321 R326 L607 A608 | A48-I93 HydrophobicContact CB-CG1 3.95Å; I93-P321 WeakPolarHBondContact O-CG 3.5Å; I93-R326 HydrophobicContact CG1-CB 4.29Å; I93-R326 HydrophobicContact CG1-CG 4.27Å; I93-L607 WeakPolarHBondContact CD1-O 3.32Å; I93-A608 VanDerWaalsContact CD1-O 3.24Å; I93-A608 WeakPolarHBondContact CD1-O 3.48Å |
| 94 | Q | 94.5 | Very high | 93.1 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -1 | 177.7 | 73.8 | -76.8 | -3.8 | 0 | 0 | 114.2 | D91 V92 N320 P321 D575 | D91-Q94 PolarHBondContact O-NE2 3.44Å; D91-Q94 VanDerWaalsContact O-NE2 3.11Å; V92-Q94 PolarHBondContact O-N 2.92Å; Q94-N320 VanDerWaalsContact O-CG 3.3Å; Q94-N320 PolarHBondContact O-OD1 3.03Å; Q94-P321 WeakPolarHBondContact O-CD 3.38Å; Q94-D575 WeakPolarHBondContact CB-OD1 3.25Å; Q94-D575 WeakPolarHBondContact CB-OD2 3.3Å |
| 95 | R | 94.3 | Very high | 92.9 | Very high | 134 Ų | 134 | 49.4 Ų | 49.4 | 51% | 0.506 | 25% | 0.252 | S | S | . | . | trans | -84.2 | 135.5 | -178 | -63.1 | -174.9 | -174.8 | -157.4 | -3 | 110.6 | N47 D91 V92 | N47-R95 PolarHBondContact ND2-O 2.97Å; D91-R95 PolarHBondContact O-NE 2.9Å; D91-R95 VanDerWaalsContact O-NE 3.1Å; V92-R95 WeakPolarHBondContact O-CB 3.32Å; V92-R95 PolarHBondContact O-N 3.22Å | ||
| 96 | S | 91.3 | Very high | 92.8 | Very high | 42 Ų | 42 | 54 Ų | 54 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -65.3 | 165.2 | 170 | -165.1 | 0 | 0 | 0 | 0 | 112.1 | N47 G319 | N47-S96 PolarHBondContact ND2-O 3.33Å; S96-G319 WeakPolarHBondContact CB-O 3.42Å; S96-G319 PolarHBondContact OG-N 3.42Å; S96-G319 PolarHBondContact OG-O 3.4Å; S96-G319 VanDerWaalsContact OG-O 3.07Å |
| 97 | G | 94.4 | Very high | 93 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 8% | 0.082 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 63.2 | -143.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D42 N47 | D42-G97 WeakPolarHBondContact OD2-CA 3.27Å; N47-G97 PolarHBondContact ND2-O 2.9Å; N47-G97 VanDerWaalsContact ND2-O 3.08Å |
| 98 | T | 96.4 | Very high | 93.3 | Very high | 25 Ų | 25 | 50.7 Ų | 50.7 | 15% | 0.153 | 26% | 0.255 | C | S | . | . | trans | -134.9 | 130.2 | 178.1 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | T38 N47 I100 G101 | T38-T98 WeakPolarHBondContact CG2-OG1 3.46Å; T38-T98 WeakPolarHBondContact OG1-CB 3.45Å; T38-T98 WeakPolarHBondContact OG1-CG2 3.49Å; T38-T98 PolarHBondContact OG1-OG1 3.44Å; N47-T98 WeakPolarHBondContact OD1-CA 3.5Å; T98-I100 PolarHBondContact O-N 3.15Å; T98-I100 WeakPolarHBondContact OG1-CG1 3.5Å; T98-I100 PolarHBondContact OG1-N 3.42Å; T98-G101 VanDerWaalsContact CG2-O 3.31Å; T98-G101 WeakPolarHBondContact CG2-O 3.37Å; T98-G101 PolarHBondContact O-N 2.92Å | ||
| 99 | I | 96.6 | Very high | 93.4 | Very high | 59 Ų | 59 | 57.4 Ų | 57.4 | 30% | 0.303 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -13.1 | 178.8 | 66.3 | -178.8 | 0 | 0 | 0 | 113.5 | N47 L50 F66 V92 | N47-I99 WeakPolarHBondContact OD1-CG2 3.47Å; N47-I99 PolarHBondContact OD1-N 3.22Å; L50-I99 HydrophobicContact CD2-CD1 3.73Å; L50-I99 HydrophobicContact CD2-CG1 3.53Å; F66-I99 HydrophobicContact CE2-CD1 4.44Å; V92-I99 HydrophobicContact CB-CD1 4.25Å; V92-I99 HydrophobicContact CB-CG2 4.25Å; V92-I99 HydrophobicContact CG1-CD1 3.82Å; V92-I99 HydrophobicContact CG1-CG2 4.09Å; V92-I99 HydrophobicContact CG2-CD1 4.36Å |
| 100 | I | 97.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 9.2 | 178.7 | 64.5 | 174.3 | 0 | 0 | 0 | 112.1 | T38 L50 F66 H68 E69 T98 | T38-I100 HydrophobicContact CG2-CD1 4.41Å; T38-I100 HydrophobicContact CG2-CG1 4.49Å; T38-I100 VanDerWaalsContact OG1-CG1 3.24Å; T38-I100 WeakPolarHBondContact OG1-CG1 3.45Å; L50-I100 HydrophobicContact CD1-CD1 3.81Å; L50-I100 HydrophobicContact CD2-CD1 4.27Å; L50-I100 HydrophobicContact CD2-CG1 4.28Å; L50-I100 HydrophobicContact CD2-CG2 3.87Å; F66-I100 HydrophobicContact CB-CG2 3.93Å; F66-I100 HydrophobicContact CD2-CG2 3.56Å; F66-I100 HydrophobicContact CE2-CG2 4.26Å; F66-I100 HydrophobicContact CG-CG2 3.89Å; H68-I100 CarbonylContact C-O 3.49Å; H68-I100 WeakPolarHBondContact CA-O 3.18Å; E69-I100 PolarHBondContact N-O 2.75Å; T98-I100 PolarHBondContact O-N 3.15Å; T98-I100 WeakPolarHBondContact OG1-CG1 3.5Å; T98-I100 PolarHBondContact OG1-N 3.42Å |
| 101 | G | 96.2 | Very high | 93.8 | Very high | 16 Ų | 16 | 62.5 Ų | 62.5 | 17% | 0.165 | 31% | 0.306 | C | S | . | . | trans | 68 | 176.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | T38 E69 T98 | T38-G101 PolarHBondContact OG1-O 2.87Å; E69-G101 WeakPolarHBondContact OE1-CA 3.41Å; T98-G101 VanDerWaalsContact CG2-O 3.31Å; T98-G101 WeakPolarHBondContact CG2-O 3.37Å; T98-G101 PolarHBondContact O-N 2.92Å | ||
| 102 | S | 94.3 | Very high | 94.3 | Very high | 34 Ų | 34 | 65.1 Ų | 65.1 | 24% | 0.238 | 32% | 0.317 | C | S | . | . | trans | -162.6 | 97.4 | 179.2 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | S39 G40 E69 | S39-S102 VanDerWaalsContact CA-OG 3.31Å; S39-S102 WeakPolarHBondContact CA-OG 2.8Å; G40-S102 PolarHBondContact N-OG 3.25Å; G40-S102 PolarHBondContact O-OG 3.08Å; E69-S102 PolarHBondContact OE2-N 3.12Å | ||
| 103 | A | 91.6 | Very high | 94.4 | Very high | 30 Ų | 30 | 65.1 Ų | 65.1 | 25% | 0.248 | 32% | 0.317 | C | S | . | . | trans | -99.6 | 151.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E69 Q72 | E69-A103 HydrophobicContact CB-CB 3.89Å; E69-A103 PolarHBondContact O-N 2.95Å; Q72-A103 HydrophobicContact CB-CB 3.96Å | ||
| 104 | R | 89 | Confident | 94.5 | Very high | 247 Ų | 247 | 66.1 Ų | 66.1 | 93% | 0.932 | 32% | 0.321 | S | S | * | . | trans | -74.2 | 126.8 | 164.8 | -63.7 | -173 | -160.4 | 176.3 | 6 | 108.3 | ||||
| 105 | S | 92.7 | Very high | 94.6 | Very high | 10 Ų | 10 | 65.2 Ų | 65.2 | 7% | 0.07 | 32% | 0.317 | C | S | . | . | trans | -104.4 | 113.8 | 175 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | Q72 F108 Y109 | Q72-S105 VanDerWaalsContact OE1-CB 3.28Å; Q72-S105 PolarHBondContact OE1-OG 2.92Å; S105-F108 PolarHBondContact OG-N 2.94Å; S105-Y109 WeakPolarHBondContact O-CD2 3.37Å; S105-Y109 WeakPolarHBondContact O-CE2 3.36Å | ||
| 106 | K | 92.5 | Very high | 94.8 | Very high | 180 Ų | 180 | 64 Ų | 64 | 78% | 0.783 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -72.9 | -38.8 | 169.5 | -69.8 | -176.4 | -178.5 | 178.4 | 0 | 110.5 | F108 Y109 | K106-F108 VanDerWaalsContact C-N 3.27Å; K106-F108 PolarHBondContact O-N 3.21Å; K106-Y109 WeakPolarHBondContact O-CB 3.32Å; K106-Y109 PolarHBondContact O-N 3.45Å; K106-Y109 VanDerWaalsContact O-N 3.1Å |
| 107 | D | 93.7 | Very high | 95.1 | Very high | 75 Ų | 75 | 62 Ų | 62 | 40% | 0.401 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -59.4 | -38.9 | -177.6 | -58.3 | -17.6 | 0 | 0 | 0 | 111.7 | Q72 V75 Y109 T110 G113 | Q72-D107 PolarHBondContact NE2-OD2 3.24Å; V75-D107 HydrophobicContact CG1-CB 3.97Å; V75-D107 HydrophobicContact CG2-CB 4.48Å; D107-Y109 PolarHBondContact O-N 3.47Å; D107-Y109 VanDerWaalsContact O-N 3.16Å; D107-T110 WeakPolarHBondContact O-CB 3.39Å; D107-T110 PolarHBondContact O-N 2.98Å; D107-T110 PolarHBondContact O-OG1 3.03Å; D107-G113 WeakPolarHBondContact O-CA 3.49Å |
| 108 | F | 95.5 | Very high | 95.2 | Very high | 16 Ų | 16 | 61.7 Ų | 61.7 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -65.9 | -17 | -179.6 | -155.8 | -98.7 | 0 | 0 | 0 | 114.2 | Y71 M74 V75 S105 K106 T110 R114 A117 F144 | Y71-F108 AromaticContact CD1-CD1 3.7Å; Y71-F108 HydrophobicContact CD1-CD1 3.7Å; Y71-F108 AromaticContact CD1-CD2 3.82Å; Y71-F108 HydrophobicContact CD1-CD2 3.82Å; Y71-F108 AromaticContact CD1-CE1 3.44Å; Y71-F108 HydrophobicContact CD1-CE1 3.44Å; Y71-F108 VanDerWaalsContact CD1-CE1 3.44Å; Y71-F108 AromaticContact CD1-CE2 3.56Å; Y71-F108 HydrophobicContact CD1-CE2 3.56Å; Y71-F108 AromaticContact CD1-CG 3.88Å; Y71-F108 HydrophobicContact CD1-CG 3.88Å; Y71-F108 AromaticContact CD1-CZ 3.36Å; Y71-F108 HydrophobicContact CD1-CZ 3.36Å; Y71-F108 HydrophobicContact CD2-CD1 4.32Å; Y71-F108 HydrophobicContact CE1-CD1 4.06Å; Y71-F108 AromaticContact CE1-CE1 3.4Å; Y71-F108 HydrophobicContact CE1-CE1 3.4Å; Y71-F108 HydrophobicContact CE1-CE2 4.09Å; Y71-F108 AromaticContact CE1-CZ 3.41Å; Y71-F108 HydrophobicContact CE1-CZ 3.41Å; Y71-F108 VanDerWaalsContact CE1-CZ 3.41Å; Y71-F108 AromaticContact CG-CD1 3.85Å; Y71-F108 HydrophobicContact CG-CD1 3.85Å; Y71-F108 HydrophobicContact CG-CD2 4.22Å; Y71-F108 HydrophobicContact CG-CE1 4.05Å; Y71-F108 HydrophobicContact CG-CE2 4.4Å; Y71-F108 AromaticContact CG-CG 3.94Å; Y71-F108 HydrophobicContact CG-CG 3.94Å; Y71-F108 HydrophobicContact CG-CZ 4.32Å; Y71-F108 AromaticContact CZ-CE1 3.98Å; M74-F108 HydrophobicContact SD-CE2 4.21Å; V75-F108 HydrophobicContact CG2-CB 4.28Å; V75-F108 HydrophobicContact CG2-CD2 3.73Å; S105-F108 PolarHBondContact OG-N 2.94Å; K106-F108 VanDerWaalsContact C-N 3.27Å; K106-F108 PolarHBondContact O-N 3.21Å; F108-T110 PolarHBondContact O-N 3.48Å; F108-R114 HydrophobicContact CD1-CG 4.18Å; F108-R114 HydrophobicContact CD2-CG 4.07Å; F108-R114 HydrophobicContact CE1-CG 4.14Å; F108-R114 HydrophobicContact CE2-CG 4.05Å; F108-R114 HydrophobicContact CG-CG 4.15Å; F108-R114 HydrophobicContact CZ-CG 4.08Å; F108-R114 WeakPolarHBondContact O-CD 3.18Å; F108-R114 WeakPolarHBondContact O-CG 3.4Å; F108-R114 PolarHBondContact O-NH1 2.95Å; F108-R114 VanDerWaalsContact O-NH1 3.11Å; F108-A117 HydrophobicContact CD2-CB 4.14Å; F108-A117 HydrophobicContact CE2-CB 3.7Å; F108-F144 HydrophobicContact CE1-CB 4.42Å; F108-F144 HydrophobicContact CE1-CD2 4.4Å; F108-F144 HydrophobicContact CE2-CD2 4Å; F108-F144 HydrophobicContact CE2-CE2 4.01Å; F108-F144 HydrophobicContact CZ-CB 4.04Å; F108-F144 HydrophobicContact CZ-CD1 4.41Å; F108-F144 AromaticContact CZ-CD2 3.48Å; F108-F144 HydrophobicContact CZ-CD2 3.48Å; F108-F144 VanDerWaalsContact CZ-CD2 3.48Å; F108-F144 AromaticContact CZ-CE2 3.95Å; F108-F144 HydrophobicContact CZ-CE2 3.95Å; F108-F144 AromaticContact CZ-CG 3.74Å; F108-F144 HydrophobicContact CZ-CG 3.74Å |
| 109 | Y | 93.3 | Very high | 95.3 | Very high | 197 Ų | 197 | 64.8 Ų | 64.8 | 77% | 0.773 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -71.3 | -20.7 | 170.3 | -73.3 | -89.9 | 0 | 0 | 0 | 112.4 | S105 K106 D107 R114 | S105-Y109 WeakPolarHBondContact O-CD2 3.37Å; S105-Y109 WeakPolarHBondContact O-CE2 3.36Å; K106-Y109 WeakPolarHBondContact O-CB 3.32Å; K106-Y109 PolarHBondContact O-N 3.45Å; K106-Y109 VanDerWaalsContact O-N 3.1Å; D107-Y109 PolarHBondContact O-N 3.47Å; D107-Y109 VanDerWaalsContact O-N 3.16Å; Y109-R114 PolarHBondContact O-NH1 3.33Å |
| 110 | T | 95.3 | Very high | 95.3 | Very high | 65 Ų | 65 | 62.9 Ų | 62.9 | 40% | 0.399 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -90.3 | 145.7 | 178.4 | 71.7 | 0 | 0 | 0 | 0 | 111.5 | D107 F108 E112 G113 R114 | D107-T110 WeakPolarHBondContact O-CB 3.39Å; D107-T110 PolarHBondContact O-N 2.98Å; D107-T110 PolarHBondContact O-OG1 3.03Å; F108-T110 PolarHBondContact O-N 3.48Å; T110-E112 VanDerWaalsContact C-N 3.32Å; T110-E112 PolarHBondContact O-N 3.24Å; T110-G113 PolarHBondContact O-N 3.44Å; T110-G113 PolarHBondContact OG1-N 2.56Å; T110-R114 PolarHBondContact O-N 3.01Å; T110-R114 PolarHBondContact O-NH1 3.24Å |
| 111 | P | 95 | Very high | 95.3 | Very high | 84 Ų | 84 | 62.8 Ų | 62.8 | 55% | 0.545 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -54.5 | -44.6 | 172 | -26.3 | 35.6 | 0 | 0 | 0 | 112.9 | G113 R114 L115 | P111-G113 PolarHBondContact O-N 2.84Å; P111-R114 PolarHBondContact O-N 3.04Å; P111-R114 VanDerWaalsContact O-N 3.16Å; P111-L115 WeakPolarHBondContact O-CB 3.49Å; P111-L115 PolarHBondContact O-N 3.33Å |
| 112 | E | 96.1 | Very high | 95.3 | Very high | 107 Ų | 107 | 62 Ų | 62 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -54.4 | -45.5 | 174.5 | -98.8 | 59.9 | -147.3 | 0 | 0 | 113.4 | T110 R114 L115 K116 R158 | T110-E112 VanDerWaalsContact C-N 3.32Å; T110-E112 PolarHBondContact O-N 3.24Å; E112-R114 VanDerWaalsContact C-N 3.35Å; E112-R114 PolarHBondContact O-N 3.15Å; E112-L115 WeakPolarHBondContact O-CB 3.16Å; E112-L115 PolarHBondContact O-N 3.07Å; E112-K116 WeakPolarHBondContact O-CB 3.37Å; E112-K116 PolarHBondContact O-N 2.71Å; E112-R158 IonicContact OE1-NH2 3.81Å; E112-R158 PolarHBondContact OE1-NH2 3.35Å |
| 113 | G | 96.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 63.4 Ų | 63.4 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | D107 T110 P111 K116 A117 | D107-G113 WeakPolarHBondContact O-CA 3.49Å; T110-G113 PolarHBondContact O-N 3.44Å; T110-G113 PolarHBondContact OG1-N 2.56Å; P111-G113 PolarHBondContact O-N 2.84Å; G113-K116 PolarHBondContact O-N 3.38Å; G113-A117 PolarHBondContact O-N 2.96Å |
| 114 | R | 97.5 | Very high | 95.5 | Very high | 24 Ų | 24 | 63.7 Ų | 63.7 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 175.1 | -64.9 | -169.1 | -62.5 | -89.6 | 12.4 | 111.8 | F108 Y109 T110 P111 E112 K116 A117 A118 F144 E147 M151 | F108-R114 HydrophobicContact CD1-CG 4.18Å; F108-R114 HydrophobicContact CD2-CG 4.07Å; F108-R114 HydrophobicContact CE1-CG 4.14Å; F108-R114 HydrophobicContact CE2-CG 4.05Å; F108-R114 HydrophobicContact CG-CG 4.15Å; F108-R114 HydrophobicContact CZ-CG 4.08Å; F108-R114 WeakPolarHBondContact O-CD 3.18Å; F108-R114 WeakPolarHBondContact O-CG 3.4Å; F108-R114 PolarHBondContact O-NH1 2.95Å; F108-R114 VanDerWaalsContact O-NH1 3.11Å; Y109-R114 PolarHBondContact O-NH1 3.33Å; T110-R114 PolarHBondContact O-N 3.01Å; T110-R114 PolarHBondContact O-NH1 3.24Å; P111-R114 PolarHBondContact O-N 3.04Å; P111-R114 VanDerWaalsContact O-N 3.16Å; E112-R114 VanDerWaalsContact C-N 3.35Å; E112-R114 PolarHBondContact O-N 3.15Å; R114-K116 VanDerWaalsContact C-N 3.32Å; R114-K116 PolarHBondContact O-N 3.21Å; R114-A117 WeakPolarHBondContact O-CB 3.27Å; R114-A117 PolarHBondContact O-N 3.37Å; R114-A118 PolarHBondContact O-N 3.06Å; R114-F144 HydrophobicContact CB-CD2 4.05Å; R114-F144 HydrophobicContact CB-CE2 4.05Å; R114-F144 HydrophobicContact CG-CD2 4.25Å; R114-F144 WeakPolarHBondContact O-CE2 3.39Å; R114-E147 IonicContact CZ-OE1 3.33Å; R114-E147 IonicContact CZ-OE2 2.71Å; R114-E147 IonicContact NE-OE1 3.09Å; R114-E147 IonicContact NE-OE2 3.61Å; R114-E147 PolarHBondContact NE-OE2 2.91Å; R114-E147 IonicContact NH2-OE1 3.32Å; R114-E147 PolarHBondContact NH2-OE1 3.39Å; R114-E147 IonicContact NH2-OE2 3.82Å; R114-E147 PolarHBondContact NH2-OE2 3.08Å; R114-M151 VanDerWaalsContact C-SD 3.53Å; R114-M151 HydrophobicContact CB-SD 3.84Å |
| 115 | L | 97.2 | Very high | 95.8 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 174.8 | -167.9 | 72.8 | 0 | 0 | 0 | 111.5 | P111 E112 A118 Y119 M151 E154 L155 | P111-L115 WeakPolarHBondContact O-CB 3.49Å; P111-L115 PolarHBondContact O-N 3.33Å; E112-L115 WeakPolarHBondContact O-CB 3.16Å; E112-L115 PolarHBondContact O-N 3.07Å; L115-A118 PolarHBondContact O-N 2.97Å; L115-Y119 PolarHBondContact O-N 3.44Å; L115-M151 HydrophobicContact CD1-CB 3.88Å; L115-M151 HydrophobicContact CD1-CG 4.03Å; L115-E154 HydrophobicContact CD1-CB 4.03Å; L115-E154 HydrophobicContact CD1-CG 4.08Å; L115-E154 HydrophobicContact CD2-CG 4.03Å; L115-L155 HydrophobicContact CD1-CD1 4.41Å; L115-L155 HydrophobicContact CD1-CD2 4.01Å; L115-L155 HydrophobicContact CD1-CG 3.71Å; L115-L155 HydrophobicContact CD2-CD2 4.4Å; L115-L155 HydrophobicContact CG-CD2 3.85Å; L115-L155 HydrophobicContact CG-CG 4.13Å |
| 116 | K | 97.4 | Very high | 96 | Very high | 110 Ų | 110 | 52.2 Ų | 52.2 | 48% | 0.478 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 176.2 | -166.4 | 179.1 | 176.8 | -173.6 | 0 | 112 | V75 E112 G113 R114 Y119 N120 | V75-K116 HydrophobicContact CG1-CB 4.4Å; V75-K116 HydrophobicContact CG1-CD 3.99Å; V75-K116 VanDerWaalsContact O-CD 3.25Å; V75-K116 WeakPolarHBondContact O-CD 3.25Å; V75-K116 WeakPolarHBondContact O-CE 3.29Å; V75-K116 WeakPolarHBondContact O-CG 3.28Å; E112-K116 WeakPolarHBondContact O-CB 3.37Å; E112-K116 PolarHBondContact O-N 2.71Å; G113-K116 PolarHBondContact O-N 3.38Å; R114-K116 VanDerWaalsContact C-N 3.32Å; R114-K116 PolarHBondContact O-N 3.21Å; K116-Y119 WeakPolarHBondContact O-CB 3.47Å; K116-Y119 PolarHBondContact O-N 3.29Å; K116-N120 VanDerWaalsContact O-CG 3.26Å; K116-N120 PolarHBondContact O-N 3.43Å; K116-N120 PolarHBondContact O-ND2 3.38Å |
| 117 | A | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.3 | -45.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M74 V75 F108 G113 R114 Y119 N120 L121 F144 | M74-A117 HydrophobicContact CB-CB 4.35Å; M74-A117 HydrophobicContact CG-CB 3.87Å; M74-A117 WeakPolarHBondContact O-CA 3.45Å; M74-A117 HydrophobicContact SD-CB 4.07Å; V75-A117 HydrophobicContact CG2-CB 4.13Å; F108-A117 HydrophobicContact CD2-CB 4.14Å; F108-A117 HydrophobicContact CE2-CB 3.7Å; G113-A117 PolarHBondContact O-N 2.96Å; R114-A117 WeakPolarHBondContact O-CB 3.27Å; R114-A117 PolarHBondContact O-N 3.37Å; A117-Y119 VanDerWaalsContact C-N 3.34Å; A117-Y119 PolarHBondContact O-N 2.76Å; A117-N120 PolarHBondContact O-N 3.03Å; A117-L121 WeakPolarHBondContact O-CG 3.35Å; A117-L121 PolarHBondContact O-N 3.39Å; A117-F144 HydrophobicContact CB-CE2 4.21Å; A117-F144 HydrophobicContact CB-CZ 4.17Å |
| 118 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R114 L115 N120 L121 L122 F144 W148 M151 L155 | R114-A118 PolarHBondContact O-N 3.06Å; L115-A118 PolarHBondContact O-N 2.97Å; A118-N120 PolarHBondContact O-N 3.3Å; A118-L121 PolarHBondContact O-N 3.12Å; A118-L122 WeakPolarHBondContact O-CB 3.26Å; A118-L122 WeakPolarHBondContact O-CD1 3.28Å; A118-L122 VanDerWaalsContact O-CG 3.27Å; A118-L122 WeakPolarHBondContact O-CG 3.27Å; A118-L122 PolarHBondContact O-N 3.1Å; A118-F144 HydrophobicContact CB-CE2 4.33Å; A118-F144 HydrophobicContact CB-CZ 4.03Å; A118-W148 HydrophobicContact CB-CE3 4.2Å; A118-W148 HydrophobicContact CB-CH2 4.21Å; A118-W148 HydrophobicContact CB-CZ3 3.7Å; A118-M151 HydrophobicContact CB-CB 4.31Å; A118-M151 HydrophobicContact CB-CE 4.15Å; A118-M151 HydrophobicContact CB-SD 3.98Å; A118-L155 HydrophobicContact CB-CD1 4.23Å |
| 119 | Y | 97.4 | Very high | 96.3 | Very high | 91 Ų | 91 | 40.8 Ų | 40.8 | 36% | 0.357 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.4 | -48.4 | 174 | 173.3 | -101.1 | 0 | 0 | 0 | 112.2 | L115 K116 A117 L121 L122 C123 L155 S160 I161 | L115-Y119 PolarHBondContact O-N 3.44Å; K116-Y119 WeakPolarHBondContact O-CB 3.47Å; K116-Y119 PolarHBondContact O-N 3.29Å; A117-Y119 VanDerWaalsContact C-N 3.34Å; A117-Y119 PolarHBondContact O-N 2.76Å; Y119-L121 PolarHBondContact O-N 3.19Å; Y119-L122 WeakPolarHBondContact O-CB 3.39Å; Y119-L122 PolarHBondContact O-N 2.87Å; Y119-C123 PolarHBondContact O-N 3.01Å; Y119-C123 PolarHBondContact O-SG 3.48Å; Y119-C123 VanDerWaalsContact O-SG 3.33Å; Y119-L155 HydrophobicContact CD2-CD2 4.41Å; Y119-S160 WeakPolarHBondContact CE2-O 3.29Å; Y119-I161 HydrophobicContact CD2-CG2 4.03Å; Y119-I161 HydrophobicContact CE2-CG2 4.37Å |
| 120 | N | 97.8 | Very high | 96.5 | Very high | 18 Ų | 18 | 31.4 Ų | 31.4 | 10% | 0.096 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | -178.9 | -67.2 | -27.8 | 0 | 0 | 0 | 112.6 | M74 V75 G77 I81 K116 A117 A118 L122 C123 C124 | M74-N120 PolarHBondContact O-ND2 3.08Å; V75-N120 VanDerWaalsContact C-ND2 3.34Å; V75-N120 PolarHBondContact O-ND2 3.22Å; G77-N120 WeakPolarHBondContact CA-ND2 3.49Å; G77-N120 PolarHBondContact N-ND2 3.25Å; I81-N120 HydrophobicContact CD1-CB 3.88Å; K116-N120 VanDerWaalsContact O-CG 3.26Å; K116-N120 PolarHBondContact O-N 3.43Å; K116-N120 PolarHBondContact O-ND2 3.38Å; A117-N120 PolarHBondContact O-N 3.03Å; A118-N120 PolarHBondContact O-N 3.3Å; N120-L122 VanDerWaalsContact C-N 3.34Å; N120-L122 PolarHBondContact O-N 3.17Å; N120-C123 WeakPolarHBondContact O-CB 3.06Å; N120-C123 PolarHBondContact O-N 3.44Å; N120-C124 PolarHBondContact O-N 2.79Å |
| 121 | L | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 174.6 | -68.2 | -179 | 0 | 0 | 0 | 111.1 | I67 M74 A117 A118 Y119 C123 C124 G125 I126 L129 F144 W148 I172 | I67-L121 HydrophobicContact CD1-CD2 3.7Å; M74-L121 HydrophobicContact CG-CD1 4.36Å; M74-L121 HydrophobicContact CG-CD2 4.05Å; M74-L121 HydrophobicContact CG-CG 4.13Å; M74-L121 HydrophobicContact SD-CD1 3.9Å; M74-L121 HydrophobicContact SD-CD2 4.45Å; M74-L121 HydrophobicContact SD-CG 4.33Å; A117-L121 WeakPolarHBondContact O-CG 3.35Å; A117-L121 PolarHBondContact O-N 3.39Å; A118-L121 PolarHBondContact O-N 3.12Å; Y119-L121 PolarHBondContact O-N 3.19Å; L121-C123 VanDerWaalsContact C-N 3.34Å; L121-C123 PolarHBondContact O-N 2.83Å; L121-C124 CarbonylContact O-C 3.54Å; L121-C124 PolarHBondContact O-N 2.87Å; L121-G125 PolarHBondContact O-N 3.36Å; L121-G125 VanDerWaalsContact O-N 3.1Å; L121-I126 HydrophobicContact CB-CB 4.18Å; L121-I126 HydrophobicContact CD2-CB 4.14Å; L121-I126 HydrophobicContact CD2-CD1 3.9Å; L121-I126 HydrophobicContact CD2-CG2 4.01Å; L121-I126 PolarHBondContact O-N 3.31Å; L121-L129 HydrophobicContact CD2-CD1 4.47Å; L121-F144 HydrophobicContact CD1-CE1 3.79Å; L121-F144 HydrophobicContact CD1-CZ 4.14Å; L121-W148 HydrophobicContact CB-CH2 4.25Å; L121-W148 HydrophobicContact CD1-CH2 4.29Å; L121-W148 HydrophobicContact CD1-CZ3 4.14Å; L121-I172 HydrophobicContact CD1-CD1 3.98Å |
| 122 | L | 96.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.2 | -40 | 176.7 | -71.4 | 166.3 | 0 | 0 | 0 | 111.6 | A118 Y119 N120 C124 G125 W148 L152 L155 I161 K165 H169 | A118-L122 WeakPolarHBondContact O-CB 3.26Å; A118-L122 WeakPolarHBondContact O-CD1 3.28Å; A118-L122 VanDerWaalsContact O-CG 3.27Å; A118-L122 WeakPolarHBondContact O-CG 3.27Å; A118-L122 PolarHBondContact O-N 3.1Å; Y119-L122 WeakPolarHBondContact O-CB 3.39Å; Y119-L122 PolarHBondContact O-N 2.87Å; N120-L122 VanDerWaalsContact C-N 3.34Å; N120-L122 PolarHBondContact O-N 3.17Å; L122-C124 PolarHBondContact O-N 3.23Å; L122-G125 WeakPolarHBondContact O-CA 3.5Å; L122-G125 PolarHBondContact O-N 3.28Å; L122-W148 HydrophobicContact CD2-CZ2 3.98Å; L122-W148 HydrophobicContact CG-CH2 4.3Å; L122-W148 HydrophobicContact CG-CZ2 4.14Å; L122-L152 HydrophobicContact CD1-CD2 3.6Å; L122-L152 HydrophobicContact CD2-CD2 4.33Å; L122-L155 HydrophobicContact CD1-CD1 3.98Å; L122-I161 HydrophobicContact CD1-CD1 3.94Å; L122-I161 HydrophobicContact CD1-CG2 4.25Å; L122-K165 WeakPolarHBondContact O-CE 3.46Å; L122-K165 PolarHBondContact O-NZ 2.97Å; L122-H169 HydrophobicContact CD2-CB 3.76Å |
| 123 | C | 94.6 | Very high | 96.8 | Very high | 64 Ų | 64 | 19.2 Ų | 19.2 | 43% | 0.432 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -53.2 | -39.3 | 175.1 | -75.4 | 0 | 0 | 0 | 0 | 112.4 | Y119 N120 L121 | Y119-C123 PolarHBondContact O-N 3.01Å; Y119-C123 PolarHBondContact O-SG 3.48Å; Y119-C123 VanDerWaalsContact O-SG 3.33Å; N120-C123 WeakPolarHBondContact O-CB 3.06Å; N120-C123 PolarHBondContact O-N 3.44Å; L121-C123 VanDerWaalsContact C-N 3.34Å; L121-C123 PolarHBondContact O-N 2.83Å |
| 124 | C | 95.3 | Very high | 96.6 | Very high | 36 Ų | 36 | 19.6 Ų | 19.6 | 24% | 0.243 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -3.7 | 175.1 | -60.8 | 0 | 0 | 0 | 0 | 114.4 | Y65 I81 N120 L121 L122 I126 | Y65-C124 HydrophobicContact CD1-CB 4.46Å; Y65-C124 HydrophobicContact CE1-CB 4.26Å; I81-C124 HydrophobicContact CG2-CB 4.35Å; N120-C124 PolarHBondContact O-N 2.79Å; L121-C124 CarbonylContact O-C 3.54Å; L121-C124 PolarHBondContact O-N 2.87Å; L122-C124 PolarHBondContact O-N 3.23Å; C124-I126 VanDerWaalsContact C-N 3.3Å; C124-I126 HydrophobicContact CB-CD1 3.69Å; C124-I126 HydrophobicContact CB-CG1 3.83Å |
| 125 | G | 95.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 19.4 Ų | 19.4 | 17% | 0.165 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 18.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V33 L121 L122 N127 | V33-G125 WeakPolarHBondContact CB-O 3.34Å; L121-G125 PolarHBondContact O-N 3.36Å; L121-G125 VanDerWaalsContact O-N 3.1Å; L122-G125 WeakPolarHBondContact O-CA 3.5Å; L122-G125 PolarHBondContact O-N 3.28Å; G125-N127 PolarHBondContact O-N 2.94Å |
| 126 | I | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -79.5 | 115.8 | -178.3 | -60.8 | 164.8 | 0 | 0 | 0 | 109.5 | V33 Y65 I81 L121 C124 L129 | V33-I126 HydrophobicContact CG1-CG1 3.78Å; Y65-I126 HydrophobicContact CD2-CD1 4.28Å; Y65-I126 HydrophobicContact CD2-CG1 4.19Å; Y65-I126 HydrophobicContact CG-CD1 4.01Å; Y65-I126 HydrophobicContact CG-CG1 4.42Å; I81-I126 HydrophobicContact CG2-CD1 3.81Å; L121-I126 HydrophobicContact CB-CB 4.18Å; L121-I126 HydrophobicContact CD2-CB 4.14Å; L121-I126 HydrophobicContact CD2-CD1 3.9Å; L121-I126 HydrophobicContact CD2-CG2 4.01Å; L121-I126 PolarHBondContact O-N 3.31Å; C124-I126 VanDerWaalsContact C-N 3.3Å; C124-I126 HydrophobicContact CB-CD1 3.69Å; C124-I126 HydrophobicContact CB-CG1 3.83Å; I126-L129 HydrophobicContact CG2-CD1 4.48Å | ||
| 127 | N | 94.2 | Very high | 95.5 | Very high | 30 Ų | 30 | 16.3 Ų | 16.3 | 16% | 0.16 | 11% | 0.106 | C | C | . | . | trans | -128.5 | 3.9 | 169.1 | 66.5 | -20.8 | 0 | 0 | 0 | 113.3 | G125 H169 I172 K173 | G125-N127 PolarHBondContact O-N 2.94Å; N127-H169 HydrophobicContact CB-CB 4.13Å; N127-I172 CarbonylContact O-C 3.59Å; N127-I172 WeakPolarHBondContact O-CA 3.42Å; N127-K173 PolarHBondContact O-N 3.44Å | ||
| 128 | N | 96.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124.4 | 170.5 | -54.1 | -78.5 | 0 | 0 | 0 | 108.1 | V33 I34 G35 K173 L340 M341 | V33-N128 WeakPolarHBondContact O-CB 3.47Å; V33-N128 PolarHBondContact O-N 3.36Å; V33-N128 PolarHBondContact O-ND2 2.97Å; I34-N128 CarbonylContact C-O 3.58Å; I34-N128 WeakPolarHBondContact CA-O 3.36Å; I34-N128 HydrophobicContact CG1-CB 4.18Å; G35-N128 PolarHBondContact N-O 3.27Å; N128-K173 CarbonylContact C-O 3.59Å; N128-K173 WeakPolarHBondContact OD1-CD 3.07Å; N128-L340 HydrophobicContact CB-CD1 4.1Å; N128-L340 HydrophobicContact CB-CD2 4.17Å; N128-M341 HydrophobicContact CB-CE 4.41Å |
| 129 | L | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.6 | -172.5 | -163.5 | 72.1 | 0 | 0 | 0 | 110.7 | G35 F37 I67 M74 L121 I126 I172 K173 I174 V175 | G35-L129 CarbonylContact O-C 3.41Å; G35-L129 WeakPolarHBondContact O-CA 3.47Å; F37-L129 HydrophobicContact CD1-CD1 4.01Å; F37-L129 HydrophobicContact CD1-CD2 4.29Å; F37-L129 HydrophobicContact CD1-CG 4.05Å; F37-L129 HydrophobicContact CE1-CD1 4.11Å; F37-L129 HydrophobicContact CE1-CD2 3.55Å; F37-L129 HydrophobicContact CE1-CG 3.7Å; F37-L129 HydrophobicContact CZ-CD2 4.32Å; I67-L129 HydrophobicContact CD1-CD1 3.75Å; M74-L129 HydrophobicContact CE-CD1 4.25Å; M74-L129 HydrophobicContact CE-CD2 4.11Å; L121-L129 HydrophobicContact CD2-CD1 4.47Å; I126-L129 HydrophobicContact CG2-CD1 4.48Å; L129-I172 HydrophobicContact CB-CD1 4.2Å; L129-I172 HydrophobicContact CB-CG1 4.46Å; L129-I172 HydrophobicContact CD2-CD1 4.3Å; L129-K173 PolarHBondContact N-O 3.32Å; L129-I174 HydrophobicContact CB-CG1 4.23Å; L129-I174 HydrophobicContact CD2-CD1 4.32Å; L129-I174 WeakPolarHBondContact O-CA 3.41Å; L129-V175 PolarHBondContact O-N 2.81Å |
| 130 | V | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 117.2 | 168.3 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | I34 G35 V36 F37 V53 I132 V175 L177 A336 L340 | I34-V130 HydrophobicContact CG2-CG2 4.11Å; G35-V130 PolarHBondContact O-N 2.99Å; V36-V130 WeakPolarHBondContact CA-O 3.48Å; V36-V130 HydrophobicContact CB-CB 4.18Å; V36-V130 HydrophobicContact CG2-CB 4Å; V36-V130 HydrophobicContact CG2-CG1 4.21Å; F37-V130 VanDerWaalsContact CD1-O 3.32Å; F37-V130 WeakPolarHBondContact CD1-O 3.16Å; F37-V130 PolarHBondContact N-O 3.47Å; V53-V130 HydrophobicContact CG1-CB 4.34Å; V53-V130 HydrophobicContact CG1-CG2 3.94Å; V53-V130 HydrophobicContact CG2-CG1 3.96Å; V53-V130 HydrophobicContact CG2-CG2 4.41Å; V130-I132 HydrophobicContact CG1-CG1 4.18Å; V130-V175 WeakPolarHBondContact CA-O 3.47Å; V130-L177 HydrophobicContact CG1-CD1 4.15Å; V130-L177 HydrophobicContact CG1-CG 4.2Å; V130-A336 HydrophobicContact CG1-CB 4.24Å; V130-A336 HydrophobicContact CG2-CB 4.4Å; V130-L340 HydrophobicContact CG2-CD1 3.41Å; V130-L340 VanDerWaalsContact CG2-CD1 3.41Å |
| 131 | C | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121 | 174.6 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | F37 L138 A141 V175 G176 L177 | F37-C131 HydrophobicContact CD1-CB 4.43Å; F37-C131 HydrophobicContact CE1-CB 3.53Å; F37-C131 HydrophobicContact CE2-CB 4.49Å; F37-C131 HydrophobicContact CZ-CB 3.59Å; F37-C131 WeakPolarHBondContact CZ-SG 3.06Å; C131-L138 HydrophobicContact CB-CD2 4.05Å; C131-A141 HydrophobicContact CB-CB 4.24Å; C131-V175 PolarHBondContact N-O 3Å; C131-G176 CarbonylContact O-C 3.47Å; C131-G176 WeakPolarHBondContact O-CA 3.14Å; C131-L177 PolarHBondContact O-N 3.44Å |
| 132 | I | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 112.3 | 174.1 | -48 | -176.6 | 0 | 0 | 0 | 108.2 | V36 F37 T38 S39 M46 A49 L50 V130 L177 | V36-I132 HydrophobicContact CG2-CD1 3.9Å; V36-I132 HydrophobicContact CG2-CG1 4.25Å; F37-I132 PolarHBondContact O-N 3.25Å; T38-I132 CarbonylContact C-O 3.56Å; T38-I132 VanDerWaalsContact CA-O 3.25Å; T38-I132 WeakPolarHBondContact CA-O 3.48Å; T38-I132 HydrophobicContact CG2-CB 3.85Å; T38-I132 HydrophobicContact CG2-CD1 4.41Å; T38-I132 HydrophobicContact CG2-CG2 4.13Å; S39-I132 PolarHBondContact N-O 2.95Å; M46-I132 HydrophobicContact CB-CG2 4.47Å; M46-I132 HydrophobicContact CG-CG2 3.97Å; A49-I132 HydrophobicContact CB-CD1 3.91Å; L50-I132 HydrophobicContact CB-CD1 4.43Å; V130-I132 HydrophobicContact CG1-CG1 4.18Å; I132-L177 WeakPolarHBondContact CA-O 3.41Å; I132-L177 HydrophobicContact CB-CB 4.45Å; I132-L177 HydrophobicContact CD1-CD1 4.16Å; I132-L177 HydrophobicContact CG1-CB 4.2Å; I132-L177 HydrophobicContact CG1-CD1 4.03Å; I132-L177 HydrophobicContact CG1-CG 4.42Å; I132-L177 HydrophobicContact CG2-CB 4.28Å |
| 133 | G | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.6 | -172.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S39 L177 V178 G179 | S39-G133 WeakPolarHBondContact O-CA 3.39Å; G133-L177 PolarHBondContact N-O 3.01Å; G133-V178 CarbonylContact O-C 3.55Å; G133-V178 VanDerWaalsContact O-CA 3.3Å; G133-V178 WeakPolarHBondContact O-CA 3.42Å; G133-G179 CarbonylContact C-O 3.54Å; G133-G179 PolarHBondContact O-N 3.39Å |
| 134 | G | 92.6 | Very high | 93.8 | Very high | 12 Ų | 12 | 16.6 Ų | 16.6 | 12% | 0.124 | 12% | 0.116 | C | C | . | . | trans | -78.7 | -174.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | G136 S137 L138 G179 | G134-G136 VanDerWaalsContact C-N 3.34Å; G134-G136 PolarHBondContact O-N 3.26Å; G134-S137 PolarHBondContact O-N 3.39Å; G134-L138 WeakPolarHBondContact O-CG 3.48Å; G134-L138 PolarHBondContact O-N 3.45Å; G134-L138 VanDerWaalsContact O-N 3.16Å; G134-G179 PolarHBondContact N-O 3.34Å | ||
| 135 | D | 87.7 | Confident | 93.7 | Very high | 20 Ų | 20 | 17.5 Ų | 17.5 | 11% | 0.107 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -53.4 | -45.8 | 179.2 | 70.5 | -43.2 | 0 | 0 | 0 | 113.3 | S137 L138 T139 F185 R226 K375 | D135-S137 PolarHBondContact O-N 3.22Å; D135-L138 PolarHBondContact O-N 2.98Å; D135-T139 WeakPolarHBondContact O-CB 3.3Å; D135-T139 PolarHBondContact O-N 3.49Å; D135-T139 PolarHBondContact O-OG1 3.18Å; D135-F185 HydrophobicContact CB-CD2 3.97Å; D135-F185 HydrophobicContact CB-CE2 4.44Å; D135-R226 IonicContact OD1-NH1 3.3Å; D135-R226 PolarHBondContact OD1-NH1 2.83Å; D135-K375 IonicContact OD2-NZ 3.98Å; D135-K375 PolarHBondContact OD2-NZ 3.27Å |
| 136 | G | 88.9 | Confident | 93.4 | Very high | 45 Ų | 45 | 22.4 Ų | 22.4 | 46% | 0.464 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -62.8 | -42 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G134 L138 T139 G140 | G134-G136 VanDerWaalsContact C-N 3.34Å; G134-G136 PolarHBondContact O-N 3.26Å; G136-L138 PolarHBondContact O-N 3.2Å; G136-T139 PolarHBondContact O-N 3.37Å; G136-G140 PolarHBondContact O-N 2.87Å |
| 137 | S | 93.6 | Very high | 93.4 | Very high | 10 Ų | 10 | 24.6 Ų | 24.6 | 7% | 0.07 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 179.7 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | S39 Y71 G134 D135 G140 A141 | S39-S137 PolarHBondContact O-OG 3.09Å; S39-S137 PolarHBondContact OG-OG 2.89Å; Y71-S137 PolarHBondContact OH-O 2.91Å; G134-S137 PolarHBondContact O-N 3.39Å; D135-S137 PolarHBondContact O-N 3.22Å; S137-G140 PolarHBondContact O-N 2.96Å; S137-A141 PolarHBondContact O-N 2.94Å |
| 138 | L | 92 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.5 | -35.9 | 178.5 | -64.8 | 178.5 | 0 | 0 | 0 | 112.3 | C131 G134 D135 G136 A141 N142 G176 V178 F185 V351 L364 | C131-L138 HydrophobicContact CB-CD2 4.05Å; G134-L138 WeakPolarHBondContact O-CG 3.48Å; G134-L138 PolarHBondContact O-N 3.45Å; G134-L138 VanDerWaalsContact O-N 3.16Å; D135-L138 PolarHBondContact O-N 2.98Å; G136-L138 PolarHBondContact O-N 3.2Å; L138-A141 PolarHBondContact O-N 3.34Å; L138-N142 PolarHBondContact O-N 3.43Å; L138-G176 VanDerWaalsContact CD2-CA 3.41Å; L138-V178 HydrophobicContact CD1-CG2 3.85Å; L138-F185 HydrophobicContact CD1-CD2 4.49Å; L138-F185 HydrophobicContact CD1-CE2 3.85Å; L138-F185 HydrophobicContact CD1-CZ 3.86Å; L138-V351 HydrophobicContact CD1-CG2 4.21Å; L138-L364 HydrophobicContact CB-CD1 3.84Å |
| 139 | T | 89.4 | Confident | 93.2 | Very high | 61 Ų | 61 | 25.8 Ų | 25.8 | 37% | 0.374 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 173 | -56 | 0 | 0 | 0 | 0 | 110.9 | D135 G136 A141 N142 L143 V368 | D135-T139 WeakPolarHBondContact O-CB 3.3Å; D135-T139 PolarHBondContact O-N 3.49Å; D135-T139 PolarHBondContact O-OG1 3.18Å; G136-T139 PolarHBondContact O-N 3.37Å; T139-A141 VanDerWaalsContact C-N 3.3Å; T139-A141 PolarHBondContact O-N 2.84Å; T139-N142 PolarHBondContact O-N 2.73Å; T139-L143 PolarHBondContact O-N 2.72Å; T139-L143 VanDerWaalsContact O-N 3.09Å; T139-V368 HydrophobicContact CG2-CG1 4.45Å |
| 140 | G | 92.3 | Very high | 93.1 | Very high | 20 Ų | 20 | 29 Ų | 29 | 21% | 0.206 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60 | -38.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | G136 S137 L143 F144 | G136-G140 PolarHBondContact O-N 2.87Å; S137-G140 PolarHBondContact O-N 2.96Å; G140-L143 PolarHBondContact O-N 3.26Å; G140-F144 WeakPolarHBondContact O-CB 3.21Å; G140-F144 PolarHBondContact O-N 2.88Å |
| 141 | A | 93.2 | Very high | 93 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.1 | -42.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y71 C131 S137 L138 T139 F144 R145 I174 | Y71-A141 WeakPolarHBondContact OH-CA 3.39Å; Y71-A141 WeakPolarHBondContact OH-CB 3.28Å; Y71-A141 PolarHBondContact OH-N 2.94Å; C131-A141 HydrophobicContact CB-CB 4.24Å; S137-A141 PolarHBondContact O-N 2.94Å; L138-A141 PolarHBondContact O-N 3.34Å; T139-A141 VanDerWaalsContact C-N 3.3Å; T139-A141 PolarHBondContact O-N 2.84Å; A141-F144 PolarHBondContact O-N 2.98Å; A141-R145 PolarHBondContact O-N 3.4Å; A141-I174 HydrophobicContact CB-CD1 4.18Å; A141-I174 HydrophobicContact CB-CG2 4.04Å; A141-I174 WeakPolarHBondContact O-CD1 3.47Å |
| 142 | N | 89.8 | Confident | 92.9 | Very high | 24 Ų | 24 | 29.6 Ų | 29.6 | 13% | 0.128 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -46 | 176.7 | -171 | 46.7 | 0 | 0 | 0 | 112.2 | L138 T139 F144 R145 Q146 L364 | L138-N142 PolarHBondContact O-N 3.43Å; T139-N142 PolarHBondContact O-N 2.73Å; N142-F144 VanDerWaalsContact C-N 3.34Å; N142-F144 PolarHBondContact O-N 3.26Å; N142-R145 WeakPolarHBondContact O-CB 3.45Å; N142-R145 PolarHBondContact O-N 3.29Å; N142-Q146 PolarHBondContact ND2-NE2 3.19Å; N142-Q146 WeakPolarHBondContact O-CG 3.18Å; N142-Q146 PolarHBondContact O-N 3.01Å; N142-Q146 VanDerWaalsContact O-N 3.11Å; N142-L364 HydrophobicContact CB-CD2 3.71Å; N142-L364 HydrophobicContact CB-CG 4.37Å |
| 143 | L | 91.7 | Very high | 92.7 | Very high | 73 Ų | 73 | 37.1 Ų | 37.1 | 38% | 0.382 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.1 | -47.5 | 176.4 | 178.6 | 64.4 | 0 | 0 | 0 | 110.8 | T139 G140 R145 Q146 E147 | T139-L143 PolarHBondContact O-N 2.72Å; T139-L143 VanDerWaalsContact O-N 3.09Å; G140-L143 PolarHBondContact O-N 3.26Å; L143-R145 PolarHBondContact O-N 2.93Å; L143-Q146 WeakPolarHBondContact O-CB 3.36Å; L143-Q146 PolarHBondContact O-N 2.84Å; L143-E147 HydrophobicContact CD1-CG 4.25Å; L143-E147 PolarHBondContact O-N 3.34Å |
| 144 | F | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.2 | -37.1 | 178.7 | -173.6 | -115 | 0 | 0 | 0 | 112.8 | M74 F108 R114 A117 A118 L121 G140 A141 N142 W148 M151 I172 | M74-F144 HydrophobicContact SD-CE1 4.37Å; M74-F144 HydrophobicContact SD-CZ 4.49Å; F108-F144 HydrophobicContact CE1-CB 4.42Å; F108-F144 HydrophobicContact CE1-CD2 4.4Å; F108-F144 HydrophobicContact CE2-CD2 4Å; F108-F144 HydrophobicContact CE2-CE2 4.01Å; F108-F144 HydrophobicContact CZ-CB 4.04Å; F108-F144 HydrophobicContact CZ-CD1 4.41Å; F108-F144 AromaticContact CZ-CD2 3.48Å; F108-F144 HydrophobicContact CZ-CD2 3.48Å; F108-F144 VanDerWaalsContact CZ-CD2 3.48Å; F108-F144 AromaticContact CZ-CE2 3.95Å; F108-F144 HydrophobicContact CZ-CE2 3.95Å; F108-F144 AromaticContact CZ-CG 3.74Å; F108-F144 HydrophobicContact CZ-CG 3.74Å; R114-F144 HydrophobicContact CB-CD2 4.05Å; R114-F144 HydrophobicContact CB-CE2 4.05Å; R114-F144 HydrophobicContact CG-CD2 4.25Å; R114-F144 WeakPolarHBondContact O-CE2 3.39Å; A117-F144 HydrophobicContact CB-CE2 4.21Å; A117-F144 HydrophobicContact CB-CZ 4.17Å; A118-F144 HydrophobicContact CB-CE2 4.33Å; A118-F144 HydrophobicContact CB-CZ 4.03Å; L121-F144 HydrophobicContact CD1-CE1 3.79Å; L121-F144 HydrophobicContact CD1-CZ 4.14Å; G140-F144 WeakPolarHBondContact O-CB 3.21Å; G140-F144 PolarHBondContact O-N 2.88Å; A141-F144 PolarHBondContact O-N 2.98Å; N142-F144 VanDerWaalsContact C-N 3.34Å; N142-F144 PolarHBondContact O-N 3.26Å; F144-W148 HydrophobicContact CD1-CE3 4.45Å; F144-W148 AromaticContact CE1-CE3 3.84Å; F144-W148 HydrophobicContact CE1-CE3 3.84Å; F144-W148 AromaticContact CE1-CZ3 3.58Å; F144-W148 HydrophobicContact CE1-CZ3 3.58Å; F144-W148 HydrophobicContact CZ-CE3 4Å; F144-W148 AromaticContact CZ-CZ3 3.65Å; F144-W148 HydrophobicContact CZ-CZ3 3.65Å; F144-W148 PolarHBondContact O-N 2.96Å; F144-M151 HydrophobicContact CD2-CE 3.64Å; F144-M151 HydrophobicContact CD2-SD 4.26Å; F144-M151 HydrophobicContact CE2-CE 3.49Å; F144-M151 VanDerWaalsContact CE2-CE 3.49Å; F144-M151 HydrophobicContact CE2-SD 3.87Å; F144-M151 HydrophobicContact CG-CE 4.38Å; F144-M151 HydrophobicContact CZ-CE 4.13Å; F144-M151 WeakPolarHBondContact O-CE 3.35Å; F144-I172 HydrophobicContact CD1-CD1 4.48Å; F144-I172 HydrophobicContact CE1-CD1 4.08Å |
| 145 | R | 92 | Very high | 92.9 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 21% | 0.208 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.3 | -44.9 | 173.4 | -170.1 | -169.8 | 93.3 | 114.5 | -2.7 | 112.8 | A141 N142 L143 E147 W148 I172 I174 A347 P349 | A141-R145 PolarHBondContact O-N 3.4Å; N142-R145 WeakPolarHBondContact O-CB 3.45Å; N142-R145 PolarHBondContact O-N 3.29Å; L143-R145 PolarHBondContact O-N 2.93Å; R145-E147 VanDerWaalsContact C-N 3.25Å; R145-E147 PolarHBondContact O-N 3.06Å; R145-W148 WeakPolarHBondContact O-CB 3.24Å; R145-W148 PolarHBondContact O-N 3.02Å; R145-W148 VanDerWaalsContact O-N 3.12Å; R145-I172 HydrophobicContact CB-CG2 4.09Å; R145-I172 HydrophobicContact CG-CG2 3.8Å; R145-I172 WeakPolarHBondContact CG-O 3.22Å; R145-I174 HydrophobicContact CB-CD1 3.81Å; R145-I174 HydrophobicContact CB-CG1 4.41Å; R145-A347 PolarHBondContact NH1-O 3.42Å; R145-P349 VanDerWaalsContact NE-CG 3.33Å |
| 146 | Q | 90.6 | Very high | 93.2 | Very high | 119 Ų | 119 | 43.1 Ų | 43.1 | 56% | 0.556 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62.6 | -37.6 | -178.6 | -69.8 | 174 | -1.3 | 0 | 0 | 111.1 | N142 L143 W148 P149 | N142-Q146 PolarHBondContact ND2-NE2 3.19Å; N142-Q146 WeakPolarHBondContact O-CG 3.18Å; N142-Q146 PolarHBondContact O-N 3.01Å; N142-Q146 VanDerWaalsContact O-N 3.11Å; L143-Q146 WeakPolarHBondContact O-CB 3.36Å; L143-Q146 PolarHBondContact O-N 2.84Å; Q146-W148 VanDerWaalsContact C-N 3.3Å; Q146-W148 PolarHBondContact O-N 2.97Å; Q146-P149 WeakPolarHBondContact O-CD 3.34Å |
| 147 | E | 94.7 | Very high | 93.5 | Very high | 46 Ų | 46 | 49.1 Ų | 49.1 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -8.1 | 176.8 | -65.3 | -178.3 | 177 | 0 | 0 | 113.6 | R114 L143 R145 S150 M151 | R114-E147 IonicContact CZ-OE1 3.33Å; R114-E147 IonicContact CZ-OE2 2.71Å; R114-E147 IonicContact NE-OE1 3.09Å; R114-E147 IonicContact NE-OE2 3.61Å; R114-E147 PolarHBondContact NE-OE2 2.91Å; R114-E147 IonicContact NH2-OE1 3.32Å; R114-E147 PolarHBondContact NH2-OE1 3.39Å; R114-E147 IonicContact NH2-OE2 3.82Å; R114-E147 PolarHBondContact NH2-OE2 3.08Å; L143-E147 HydrophobicContact CD1-CG 4.25Å; L143-E147 PolarHBondContact O-N 3.34Å; R145-E147 VanDerWaalsContact C-N 3.25Å; R145-E147 PolarHBondContact O-N 3.06Å; E147-S150 PolarHBondContact O-N 3.34Å; E147-S150 VanDerWaalsContact O-N 3.17Å; E147-S150 PolarHBondContact O-OG 3.31Å; E147-M151 HydrophobicContact CB-CE 4.06Å; E147-M151 WeakPolarHBondContact O-CG 3.43Å; E147-M151 PolarHBondContact O-N 3.47Å |
| 148 | W | 94.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55 | -48.7 | -175.5 | -170.5 | -93.4 | 0 | 0 | 0 | 113.3 | A118 L121 L122 F144 R145 Q146 S150 M151 L152 H169 I172 | A118-W148 HydrophobicContact CB-CE3 4.2Å; A118-W148 HydrophobicContact CB-CH2 4.21Å; A118-W148 HydrophobicContact CB-CZ3 3.7Å; L121-W148 HydrophobicContact CB-CH2 4.25Å; L121-W148 HydrophobicContact CD1-CH2 4.29Å; L121-W148 HydrophobicContact CD1-CZ3 4.14Å; L122-W148 HydrophobicContact CD2-CZ2 3.98Å; L122-W148 HydrophobicContact CG-CH2 4.3Å; L122-W148 HydrophobicContact CG-CZ2 4.14Å; F144-W148 HydrophobicContact CD1-CE3 4.45Å; F144-W148 AromaticContact CE1-CE3 3.84Å; F144-W148 HydrophobicContact CE1-CE3 3.84Å; F144-W148 AromaticContact CE1-CZ3 3.58Å; F144-W148 HydrophobicContact CE1-CZ3 3.58Å; F144-W148 HydrophobicContact CZ-CE3 4Å; F144-W148 AromaticContact CZ-CZ3 3.65Å; F144-W148 HydrophobicContact CZ-CZ3 3.65Å; F144-W148 PolarHBondContact O-N 2.96Å; R145-W148 WeakPolarHBondContact O-CB 3.24Å; R145-W148 PolarHBondContact O-N 3.02Å; R145-W148 VanDerWaalsContact O-N 3.12Å; Q146-W148 VanDerWaalsContact C-N 3.3Å; Q146-W148 PolarHBondContact O-N 2.97Å; W148-S150 VanDerWaalsContact C-N 3.32Å; W148-S150 PolarHBondContact O-N 3.15Å; W148-M151 HydrophobicContact CB-CE 4.43Å; W148-M151 HydrophobicContact CE3-CE 4.02Å; W148-M151 PolarHBondContact O-N 3.03Å; W148-L152 WeakPolarHBondContact O-CG 3.4Å; W148-L152 PolarHBondContact O-N 3.05Å; W148-H169 PolarHBondContact NE1-O 2.9Å; W148-I172 HydrophobicContact CB-CG2 3.86Å; W148-I172 HydrophobicContact CD2-CB 3.66Å; W148-I172 HydrophobicContact CD2-CG2 3.59Å; W148-I172 HydrophobicContact CE3-CB 3.93Å; W148-I172 HydrophobicContact CE3-CD1 3.97Å; W148-I172 HydrophobicContact CE3-CG2 3.71Å; W148-I172 HydrophobicContact CG-CB 4.03Å; W148-I172 HydrophobicContact CG-CG2 3.68Å; W148-I172 HydrophobicContact CH2-CB 4.44Å; W148-I172 HydrophobicContact CH2-CD1 3.92Å; W148-I172 HydrophobicContact CZ2-CB 4.21Å; W148-I172 HydrophobicContact CZ2-CD1 4.47Å; W148-I172 HydrophobicContact CZ3-CB 4.32Å; W148-I172 HydrophobicContact CZ3-CD1 3.64Å; W148-I172 HydrophobicContact CZ3-CG2 4.46Å |
| 149 | P | 93.2 | Very high | 93.6 | Very high | 56 Ų | 56 | 57.5 Ų | 57.5 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.8 | -34.8 | 179.9 | -21.7 | 35.3 | 0 | 0 | 0 | 113.3 | Q146 K153 | Q146-P149 WeakPolarHBondContact O-CD 3.34Å; P149-K153 WeakPolarHBondContact O-CG 3.42Å; P149-K153 PolarHBondContact O-N 3.04Å |
| 150 | S | 94.9 | Very high | 93.7 | Very high | 66 Ų | 66 | 57.2 Ų | 57.2 | 46% | 0.462 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.6 | -42 | 175.2 | 43.3 | 0 | 0 | 0 | 0 | 111.6 | E147 W148 L152 K153 E154 | E147-S150 PolarHBondContact O-N 3.34Å; E147-S150 VanDerWaalsContact O-N 3.17Å; E147-S150 PolarHBondContact O-OG 3.31Å; W148-S150 VanDerWaalsContact C-N 3.32Å; W148-S150 PolarHBondContact O-N 3.15Å; S150-L152 VanDerWaalsContact C-N 3.32Å; S150-L152 PolarHBondContact O-N 3.48Å; S150-K153 PolarHBondContact O-N 2.75Å; S150-E154 PolarHBondContact O-N 3.3Å |
| 151 | M | 96.5 | Very high | 93.8 | Very high | 9 Ų | 9 | 57 Ų | 57 | 4% | 0.044 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 176.6 | -71.5 | -173.8 | -66.6 | 0 | 0 | 112 | R114 L115 A118 F144 E147 W148 E154 L155 | R114-M151 VanDerWaalsContact C-SD 3.53Å; R114-M151 HydrophobicContact CB-SD 3.84Å; L115-M151 HydrophobicContact CD1-CB 3.88Å; L115-M151 HydrophobicContact CD1-CG 4.03Å; A118-M151 HydrophobicContact CB-CB 4.31Å; A118-M151 HydrophobicContact CB-CE 4.15Å; A118-M151 HydrophobicContact CB-SD 3.98Å; F144-M151 HydrophobicContact CD2-CE 3.64Å; F144-M151 HydrophobicContact CD2-SD 4.26Å; F144-M151 HydrophobicContact CE2-CE 3.49Å; F144-M151 VanDerWaalsContact CE2-CE 3.49Å; F144-M151 HydrophobicContact CE2-SD 3.87Å; F144-M151 HydrophobicContact CG-CE 4.38Å; F144-M151 HydrophobicContact CZ-CE 4.13Å; F144-M151 WeakPolarHBondContact O-CE 3.35Å; E147-M151 HydrophobicContact CB-CE 4.06Å; E147-M151 WeakPolarHBondContact O-CG 3.43Å; E147-M151 PolarHBondContact O-N 3.47Å; W148-M151 HydrophobicContact CB-CE 4.43Å; W148-M151 HydrophobicContact CE3-CE 4.02Å; W148-M151 PolarHBondContact O-N 3.03Å; M151-E154 PolarHBondContact O-N 3.42Å; M151-L155 WeakPolarHBondContact O-CB 3.48Å; M151-L155 VanDerWaalsContact O-CG 3.31Å; M151-L155 WeakPolarHBondContact O-CG 3.48Å; M151-L155 PolarHBondContact O-N 2.9Å |
| 152 | L | 95.1 | Very high | 93.8 | Very high | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 175.3 | -69.2 | -179 | 0 | 0 | 0 | 112.6 | L122 W148 S150 E154 L155 L156 I161 V166 H169 | L122-L152 HydrophobicContact CD1-CD2 3.6Å; L122-L152 HydrophobicContact CD2-CD2 4.33Å; W148-L152 WeakPolarHBondContact O-CG 3.4Å; W148-L152 PolarHBondContact O-N 3.05Å; S150-L152 VanDerWaalsContact C-N 3.32Å; S150-L152 PolarHBondContact O-N 3.48Å; L152-E154 VanDerWaalsContact C-N 3.29Å; L152-E154 PolarHBondContact O-N 3.13Å; L152-L155 PolarHBondContact O-N 3.01Å; L152-L156 WeakPolarHBondContact O-CB 3.5Å; L152-L156 PolarHBondContact O-N 2.66Å; L152-I161 HydrophobicContact CD2-CD1 4.08Å; L152-V166 HydrophobicContact CB-CG1 4.36Å; L152-V166 HydrophobicContact CD1-CG1 4.27Å; L152-H169 VanDerWaalsContact CD1-O 3.3Å; L152-H169 WeakPolarHBondContact CD1-O 3.37Å |
| 153 | K | 94.6 | Very high | 93.9 | Very high | 157 Ų | 157 | 63 Ų | 63 | 68% | 0.683 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.7 | -43 | 177.4 | -71.8 | 174.9 | -177.9 | -179 | 0 | 110.9 | P149 S150 L156 H157 | P149-K153 WeakPolarHBondContact O-CG 3.42Å; P149-K153 PolarHBondContact O-N 3.04Å; S150-K153 PolarHBondContact O-N 2.75Å; K153-L156 PolarHBondContact O-N 3.12Å; K153-H157 WeakPolarHBondContact O-CB 3.42Å; K153-H157 PolarHBondContact O-N 3.17Å |
| 154 | E | 95.7 | Very high | 93.9 | Very high | 81 Ų | 81 | 67 Ų | 67 | 38% | 0.379 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.1 | -44.4 | 180 | -177.2 | 161.1 | -172.5 | 0 | 0 | 112.6 | L115 S150 M151 L152 L156 H157 R158 | L115-E154 HydrophobicContact CD1-CB 4.03Å; L115-E154 HydrophobicContact CD1-CG 4.08Å; L115-E154 HydrophobicContact CD2-CG 4.03Å; S150-E154 PolarHBondContact O-N 3.3Å; M151-E154 PolarHBondContact O-N 3.42Å; L152-E154 VanDerWaalsContact C-N 3.29Å; L152-E154 PolarHBondContact O-N 3.13Å; E154-L156 VanDerWaalsContact C-N 3.28Å; E154-L156 PolarHBondContact O-N 2.97Å; E154-H157 PolarHBondContact O-N 3.37Å; E154-R158 HydrophobicContact CG-CG 4.47Å; E154-R158 WeakPolarHBondContact O-CB 3.31Å; E154-R158 WeakPolarHBondContact O-CG 3.43Å; E154-R158 PolarHBondContact O-N 3.22Å; E154-R158 IonicContact OE1-CZ 2.71Å; E154-R158 VanDerWaalsContact OE1-CZ 3.3Å; E154-R158 IonicContact OE1-NE 3.43Å; E154-R158 PolarHBondContact OE1-NE 3.34Å; E154-R158 IonicContact OE1-NH2 2.69Å; E154-R158 PolarHBondContact OE1-NH2 3.24Å |
| 155 | L | 95.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 69.9 Ų | 69.9 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 175.2 | -73.4 | 172.3 | 0 | 0 | 0 | 112.4 | L115 A118 Y119 L122 M151 L152 G159 S160 I161 | L115-L155 HydrophobicContact CD1-CD1 4.41Å; L115-L155 HydrophobicContact CD1-CD2 4.01Å; L115-L155 HydrophobicContact CD1-CG 3.71Å; L115-L155 HydrophobicContact CD2-CD2 4.4Å; L115-L155 HydrophobicContact CG-CD2 3.85Å; L115-L155 HydrophobicContact CG-CG 4.13Å; A118-L155 HydrophobicContact CB-CD1 4.23Å; Y119-L155 HydrophobicContact CD2-CD2 4.41Å; L122-L155 HydrophobicContact CD1-CD1 3.98Å; M151-L155 WeakPolarHBondContact O-CB 3.48Å; M151-L155 VanDerWaalsContact O-CG 3.31Å; M151-L155 WeakPolarHBondContact O-CG 3.48Å; M151-L155 PolarHBondContact O-N 2.9Å; L152-L155 PolarHBondContact O-N 3.01Å; L155-G159 PolarHBondContact O-N 3.29Å; L155-S160 PolarHBondContact O-N 3.41Å; L155-I161 HydrophobicContact CB-CD1 3.55Å; L155-I161 HydrophobicContact CB-CG1 3.75Å; L155-I161 HydrophobicContact CB-CG2 4.4Å; L155-I161 HydrophobicContact CD1-CD1 4.25Å |
| 156 | L | 94.9 | Very high | 93.7 | Very high | 71 Ų | 71 | 68.8 Ų | 68.8 | 37% | 0.372 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.1 | -44.8 | 174.9 | -177.4 | 66.4 | 0 | 0 | 0 | 111 | L152 K153 E154 R158 G159 I161 A163 V166 | L152-L156 WeakPolarHBondContact O-CB 3.5Å; L152-L156 PolarHBondContact O-N 2.66Å; K153-L156 PolarHBondContact O-N 3.12Å; E154-L156 VanDerWaalsContact C-N 3.28Å; E154-L156 PolarHBondContact O-N 2.97Å; L156-R158 VanDerWaalsContact C-N 3.32Å; L156-R158 PolarHBondContact O-N 2.94Å; L156-G159 PolarHBondContact O-N 3.07Å; L156-I161 HydrophobicContact CB-CG1 4.41Å; L156-I161 WeakPolarHBondContact CD1-O 3.31Å; L156-A163 HydrophobicContact CD1-CB 4.33Å; L156-V166 HydrophobicContact CB-CG2 4.29Å; L156-V166 HydrophobicContact CD1-CG2 4.41Å; L156-V166 HydrophobicContact CD2-CG2 4.47Å |
| 157 | H | 94.5 | Very high | 93.7 | Very high | 172 Ų | 172 | 66.8 Ų | 66.8 | 80% | 0.796 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.2 | -39.2 | 177.7 | -176 | 67.4 | 0 | 0 | 0 | 112.2 | K153 E154 G159 | K153-H157 WeakPolarHBondContact O-CB 3.42Å; K153-H157 PolarHBondContact O-N 3.17Å; E154-H157 PolarHBondContact O-N 3.37Å; H157-G159 PolarHBondContact O-N 2.89Å |
| 158 | R | 94.8 | Very high | 93.4 | Very high | 124 Ų | 124 | 71.8 Ų | 71.8 | 47% | 0.468 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -2.5 | 174.2 | -66.6 | -179.6 | -175.2 | -146 | 8 | 113.4 | E112 E154 L156 S160 | E112-R158 IonicContact OE1-NH2 3.81Å; E112-R158 PolarHBondContact OE1-NH2 3.35Å; E154-R158 HydrophobicContact CG-CG 4.47Å; E154-R158 WeakPolarHBondContact O-CB 3.31Å; E154-R158 WeakPolarHBondContact O-CG 3.43Å; E154-R158 PolarHBondContact O-N 3.22Å; E154-R158 IonicContact OE1-CZ 2.71Å; E154-R158 VanDerWaalsContact OE1-CZ 3.3Å; E154-R158 IonicContact OE1-NE 3.43Å; E154-R158 PolarHBondContact OE1-NE 3.34Å; E154-R158 IonicContact OE1-NH2 2.69Å; E154-R158 PolarHBondContact OE1-NH2 3.24Å; L156-R158 VanDerWaalsContact C-N 3.32Å; L156-R158 PolarHBondContact O-N 2.94Å; R158-S160 PolarHBondContact O-N 2.79Å |
| 159 | G | 92.5 | Very high | 93.2 | Very high | 62 Ų | 62 | 72.2 Ų | 72.2 | 64% | 0.639 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 13.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L155 L156 H157 | L155-G159 PolarHBondContact O-N 3.29Å; L156-G159 PolarHBondContact O-N 3.07Å; H157-G159 PolarHBondContact O-N 2.89Å |
| 160 | S | 92.1 | Very high | 93.1 | Very high | 55 Ų | 55 | 72.7 Ų | 72.7 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -77.7 | -23.2 | -177.6 | -54.3 | 0 | 0 | 0 | 0 | 112.6 | Y119 L155 R158 | Y119-S160 WeakPolarHBondContact CE2-O 3.29Å; L155-S160 PolarHBondContact O-N 3.41Å; R158-S160 PolarHBondContact O-N 2.79Å |
| 161 | I | 93.5 | Very high | 92.9 | Very high | 14 Ų | 14 | 71.7 Ų | 71.7 | 7% | 0.072 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -135.7 | 158 | 177.8 | 64.7 | 178.9 | 0 | 0 | 0 | 110.9 | Y119 L122 L152 L155 L156 V166 | Y119-I161 HydrophobicContact CD2-CG2 4.03Å; Y119-I161 HydrophobicContact CE2-CG2 4.37Å; L122-I161 HydrophobicContact CD1-CD1 3.94Å; L122-I161 HydrophobicContact CD1-CG2 4.25Å; L152-I161 HydrophobicContact CD2-CD1 4.08Å; L155-I161 HydrophobicContact CB-CD1 3.55Å; L155-I161 HydrophobicContact CB-CG1 3.75Å; L155-I161 HydrophobicContact CB-CG2 4.4Å; L155-I161 HydrophobicContact CD1-CD1 4.25Å; L156-I161 HydrophobicContact CB-CG1 4.41Å; L156-I161 WeakPolarHBondContact CD1-O 3.31Å; I161-V166 HydrophobicContact CD1-CG2 3.5Å; I161-V166 VanDerWaalsContact CD1-CG2 3.5Å; I161-V166 HydrophobicContact CG1-CG2 4.03Å |
| 162 | T | 93 | Very high | 92.7 | Very high | 84 Ų | 84 | 71.3 Ų | 71.3 | 52% | 0.515 | 39% | 0.387 | S | S | . | . | trans | -87.9 | 156.7 | 178 | 63.7 | 0 | 0 | 0 | 0 | 112.1 | E164 K165 V166 | T162-E164 PolarHBondContact O-N 2.84Å; T162-K165 WeakPolarHBondContact O-CB 3.45Å; T162-K165 PolarHBondContact O-N 2.89Å; T162-K165 WeakPolarHBondContact OG1-CB 3.34Å; T162-K165 PolarHBondContact OG1-N 2.93Å; T162-V166 PolarHBondContact O-N 2.8Å; T162-V166 VanDerWaalsContact O-N 3.14Å | ||
| 163 | A | 91.6 | Very high | 92.7 | Very high | 67 Ų | 67 | 73.1 Ų | 73.1 | 55% | 0.554 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59.1 | -35.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L156 K165 V166 A167 | L156-A163 HydrophobicContact CD1-CB 4.33Å; A163-K165 VanDerWaalsContact C-N 3.31Å; A163-K165 PolarHBondContact O-N 2.71Å; A163-V166 PolarHBondContact O-N 3.23Å; A163-A167 WeakPolarHBondContact O-CB 3.44Å; A163-A167 PolarHBondContact O-N 3.03Å |
| 164 | E | 92.7 | Very high | 92.7 | Very high | 156 Ų | 156 | 66 Ų | 66 | 73% | 0.729 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.6 | -41.1 | 173.9 | -172 | -174.3 | 172.5 | 0 | 0 | 111.6 | T162 A167 K168 | T162-E164 PolarHBondContact O-N 2.84Å; E164-A167 PolarHBondContact O-N 3.5Å; E164-K168 WeakPolarHBondContact O-CB 3.38Å; E164-K168 PolarHBondContact O-N 3.48Å |
| 165 | K | 91.1 | Very high | 92.7 | Very high | 61 Ų | 61 | 62.2 Ų | 62.2 | 27% | 0.265 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.2 | -35.4 | -179.9 | -159.4 | 152.9 | -169.4 | 177 | 0 | 112.2 | L122 T162 A163 H169 | L122-K165 WeakPolarHBondContact O-CE 3.46Å; L122-K165 PolarHBondContact O-NZ 2.97Å; T162-K165 WeakPolarHBondContact O-CB 3.45Å; T162-K165 PolarHBondContact O-N 2.89Å; T162-K165 WeakPolarHBondContact OG1-CB 3.34Å; T162-K165 PolarHBondContact OG1-N 2.93Å; A163-K165 VanDerWaalsContact C-N 3.31Å; A163-K165 PolarHBondContact O-N 2.71Å; K165-H169 PolarHBondContact O-N 3.01Å; K165-H169 PolarHBondContact O-ND1 3.34Å |
| 166 | V | 90.4 | Very high | 92.8 | Very high | 32 Ų | 32 | 62 Ų | 62 | 19% | 0.194 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 170.6 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | L152 L156 I161 T162 A163 K168 H169 | L152-V166 HydrophobicContact CB-CG1 4.36Å; L152-V166 HydrophobicContact CD1-CG1 4.27Å; L156-V166 HydrophobicContact CB-CG2 4.29Å; L156-V166 HydrophobicContact CD1-CG2 4.41Å; L156-V166 HydrophobicContact CD2-CG2 4.47Å; I161-V166 HydrophobicContact CD1-CG2 3.5Å; I161-V166 VanDerWaalsContact CD1-CG2 3.5Å; I161-V166 HydrophobicContact CG1-CG2 4.03Å; T162-V166 PolarHBondContact O-N 2.8Å; T162-V166 VanDerWaalsContact O-N 3.14Å; A163-V166 PolarHBondContact O-N 3.23Å; V166-K168 VanDerWaalsContact C-N 3.27Å; V166-K168 PolarHBondContact O-N 3.24Å; V166-H169 CarbonylContact O-C 3.22Å; V166-H169 VanDerWaalsContact O-C 3.31Å; V166-H169 PolarHBondContact O-N 3.46Å; V166-H169 VanDerWaalsContact O-N 3.15Å |
| 167 | A | 91 | Very high | 92.9 | Very high | 77 Ų | 77 | 58.6 Ų | 58.6 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.5 | -33.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A163 E164 P170 | A163-A167 WeakPolarHBondContact O-CB 3.44Å; A163-A167 PolarHBondContact O-N 3.03Å; E164-A167 PolarHBondContact O-N 3.5Å; A167-P170 WeakPolarHBondContact O-CD 3.43Å |
| 168 | K | 89.3 | Confident | 93 | Very high | 151 Ų | 151 | 50.5 Ų | 50.5 | 66% | 0.657 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -75.8 | -25 | 177.2 | -169.9 | 171.9 | 179.3 | 174.3 | 0 | 113.6 | E164 V166 P170 | E164-K168 WeakPolarHBondContact O-CB 3.38Å; E164-K168 PolarHBondContact O-N 3.48Å; V166-K168 VanDerWaalsContact C-N 3.27Å; V166-K168 PolarHBondContact O-N 3.24Å; K168-P170 VanDerWaalsContact C-CD 3.48Å |
| 169 | H | 90.9 | Very high | 93.1 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 5% | 0.051 | 27% | 0.268 | C | S | . | . | trans | -132.8 | 54.5 | -176.1 | -42.8 | 92.4 | 0 | 0 | 0 | 112.3 | L122 N127 W148 L152 K165 V166 N171 | L122-H169 HydrophobicContact CD2-CB 3.76Å; N127-H169 HydrophobicContact CB-CB 4.13Å; W148-H169 PolarHBondContact NE1-O 2.9Å; L152-H169 VanDerWaalsContact CD1-O 3.3Å; L152-H169 WeakPolarHBondContact CD1-O 3.37Å; K165-H169 PolarHBondContact O-N 3.01Å; K165-H169 PolarHBondContact O-ND1 3.34Å; V166-H169 CarbonylContact O-C 3.22Å; V166-H169 VanDerWaalsContact O-C 3.31Å; V166-H169 PolarHBondContact O-N 3.46Å; V166-H169 VanDerWaalsContact O-N 3.15Å; H169-N171 PolarHBondContact O-N 3.33Å; H169-N171 VanDerWaalsContact O-N 3.15Å | ||
| 170 | P | 89.8 | Confident | 93.2 | Very high | 66 Ų | 66 | 42 Ų | 42 | 43% | 0.429 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -64.5 | -25.9 | -173.1 | 27.6 | -35.3 | 0 | 0 | 0 | 112.4 | A167 K168 | A167-P170 WeakPolarHBondContact O-CD 3.43Å; K168-P170 VanDerWaalsContact C-CD 3.48Å |
| 171 | N | 90.9 | Very high | 93.5 | Very high | 44 Ų | 44 | 39.4 Ų | 39.4 | 24% | 0.235 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -134.3 | 156.2 | 178.7 | -62.7 | -51.1 | 0 | 0 | 0 | 110 | H169 N346 | H169-N171 PolarHBondContact O-N 3.33Å; H169-N171 VanDerWaalsContact O-N 3.15Å; N171-N346 PolarHBondContact ND2-OD1 3.4Å |
| 172 | I | 93.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | trans | -104.8 | 130.5 | 166 | -169.2 | 168.9 | 0 | 0 | 0 | 109.7 | L121 N127 L129 F144 R145 W148 I174 | L121-I172 HydrophobicContact CD1-CD1 3.98Å; N127-I172 CarbonylContact O-C 3.59Å; N127-I172 WeakPolarHBondContact O-CA 3.42Å; L129-I172 HydrophobicContact CB-CD1 4.2Å; L129-I172 HydrophobicContact CB-CG1 4.46Å; L129-I172 HydrophobicContact CD2-CD1 4.3Å; F144-I172 HydrophobicContact CD1-CD1 4.48Å; F144-I172 HydrophobicContact CE1-CD1 4.08Å; R145-I172 HydrophobicContact CB-CG2 4.09Å; R145-I172 HydrophobicContact CG-CG2 3.8Å; R145-I172 WeakPolarHBondContact CG-O 3.22Å; W148-I172 HydrophobicContact CB-CG2 3.86Å; W148-I172 HydrophobicContact CD2-CB 3.66Å; W148-I172 HydrophobicContact CD2-CG2 3.59Å; W148-I172 HydrophobicContact CE3-CB 3.93Å; W148-I172 HydrophobicContact CE3-CD1 3.97Å; W148-I172 HydrophobicContact CE3-CG2 3.71Å; W148-I172 HydrophobicContact CG-CB 4.03Å; W148-I172 HydrophobicContact CG-CG2 3.68Å; W148-I172 HydrophobicContact CH2-CB 4.44Å; W148-I172 HydrophobicContact CH2-CD1 3.92Å; W148-I172 HydrophobicContact CZ2-CB 4.21Å; W148-I172 HydrophobicContact CZ2-CD1 4.47Å; W148-I172 HydrophobicContact CZ3-CB 4.32Å; W148-I172 HydrophobicContact CZ3-CD1 3.64Å; W148-I172 HydrophobicContact CZ3-CG2 4.46Å; I172-I174 HydrophobicContact CG1-CG1 4.36Å; I172-I174 HydrophobicContact CG2-CD1 4.44Å; I172-I174 HydrophobicContact CG2-CG1 4.43Å | ||
| 173 | K | 94.5 | Very high | 93.7 | Very high | 44 Ų | 44 | 35.6 Ų | 35.6 | 19% | 0.191 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 135.6 | 171.5 | -57.2 | -169.6 | -159.7 | 177.3 | 0 | 109.1 | N127 N128 L129 L340 T343 | N127-K173 PolarHBondContact O-N 3.44Å; N128-K173 CarbonylContact C-O 3.59Å; N128-K173 WeakPolarHBondContact OD1-CD 3.07Å; L129-K173 PolarHBondContact N-O 3.32Å; K173-L340 HydrophobicContact CB-CD2 3.7Å; K173-L340 WeakPolarHBondContact CD-O 3.47Å; K173-L340 PolarHBondContact NZ-O 3.34Å; K173-T343 WeakPolarHBondContact CE-O 3.38Å; K173-T343 PolarHBondContact NZ-O 3.03Å |
| 174 | I | 95 | Very high | 93.7 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 4% | 0.036 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 134 | 179.7 | -57.5 | -169.7 | 0 | 0 | 0 | 109.7 | L129 A141 R145 I172 P349 | L129-I174 HydrophobicContact CB-CG1 4.23Å; L129-I174 HydrophobicContact CD2-CD1 4.32Å; L129-I174 WeakPolarHBondContact O-CA 3.41Å; A141-I174 HydrophobicContact CB-CD1 4.18Å; A141-I174 HydrophobicContact CB-CG2 4.04Å; A141-I174 WeakPolarHBondContact O-CD1 3.47Å; R145-I174 HydrophobicContact CB-CD1 3.81Å; R145-I174 HydrophobicContact CB-CG1 4.41Å; I172-I174 HydrophobicContact CG1-CG1 4.36Å; I172-I174 HydrophobicContact CG2-CD1 4.44Å; I172-I174 HydrophobicContact CG2-CG1 4.43Å; I174-P349 HydrophobicContact CB-CB 4.49Å |
| 175 | V | 96.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.4 | 165.9 | 175.8 | 0 | 0 | 0 | 0 | 109.6 | L129 V130 C131 A336 A339 L340 C350 I352 | L129-V175 PolarHBondContact O-N 2.81Å; V130-V175 WeakPolarHBondContact CA-O 3.47Å; C131-V175 PolarHBondContact N-O 3Å; V175-A336 HydrophobicContact CB-CB 4.4Å; V175-A336 HydrophobicContact CG1-CB 3.69Å; V175-A339 HydrophobicContact CG2-CB 3.98Å; V175-L340 HydrophobicContact CB-CD2 4.26Å; V175-L340 HydrophobicContact CB-CG 4.15Å; V175-L340 HydrophobicContact CG2-CD2 3.67Å; V175-L340 HydrophobicContact CG2-CG 3.63Å; V175-C350 WeakPolarHBondContact CA-O 3.16Å; V175-I352 HydrophobicContact CG1-CD1 3.77Å; V175-I352 HydrophobicContact CG1-CG1 3.58Å |
| 176 | G | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 139.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C131 L138 C350 V351 I352 | C131-G176 CarbonylContact O-C 3.47Å; C131-G176 WeakPolarHBondContact O-CA 3.14Å; L138-G176 VanDerWaalsContact CD2-CA 3.41Å; G176-C350 PolarHBondContact N-O 3.31Å; G176-V351 CarbonylContact O-C 3.47Å; G176-V351 VanDerWaalsContact O-CA 3.31Å; G176-V351 WeakPolarHBondContact O-CA 3.34Å; G176-I352 PolarHBondContact O-N 2.98Å |
| 177 | L | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 129.9 | 166 | -58.5 | -173.1 | 0 | 0 | 0 | 108.7 | A49 V53 V130 C131 I132 G133 G179 I192 M332 A336 I352 | A49-L177 HydrophobicContact CB-CD1 3.91Å; V53-L177 HydrophobicContact CG2-CD1 4.43Å; V130-L177 HydrophobicContact CG1-CD1 4.15Å; V130-L177 HydrophobicContact CG1-CG 4.2Å; C131-L177 PolarHBondContact O-N 3.44Å; I132-L177 WeakPolarHBondContact CA-O 3.41Å; I132-L177 HydrophobicContact CB-CB 4.45Å; I132-L177 HydrophobicContact CD1-CD1 4.16Å; I132-L177 HydrophobicContact CG1-CB 4.2Å; I132-L177 HydrophobicContact CG1-CD1 4.03Å; I132-L177 HydrophobicContact CG1-CG 4.42Å; I132-L177 HydrophobicContact CG2-CB 4.28Å; G133-L177 PolarHBondContact N-O 3.01Å; L177-G179 PolarHBondContact O-N 2.74Å; L177-I192 HydrophobicContact CB-CD1 4.46Å; L177-M332 HydrophobicContact CD2-CB 3.88Å; L177-A336 HydrophobicContact CD1-CB 4.37Å; L177-A336 HydrophobicContact CD2-CB 3.97Å; L177-A336 HydrophobicContact CG-CB 4.35Å; L177-I352 HydrophobicContact CD2-CB 3.54Å; L177-I352 HydrophobicContact CD2-CG1 3.67Å; L177-I352 HydrophobicContact CD2-CG2 4.45Å |
| 178 | V | 96.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.018 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 101 | -176.2 | -163.6 | 0 | 0 | 0 | 0 | 110.4 | G133 L138 F185 T191 I192 V351 | G133-V178 CarbonylContact O-C 3.55Å; G133-V178 VanDerWaalsContact O-CA 3.3Å; G133-V178 WeakPolarHBondContact O-CA 3.42Å; L138-V178 HydrophobicContact CD1-CG2 3.85Å; V178-F185 HydrophobicContact CG1-CB 3.68Å; V178-F185 HydrophobicContact CG1-CD1 4.3Å; V178-F185 HydrophobicContact CG1-CD2 4.36Å; V178-F185 HydrophobicContact CG1-CG 3.87Å; V178-F185 HydrophobicContact CG2-CB 4.44Å; V178-F185 HydrophobicContact CG2-CD1 3.5Å; V178-F185 VanDerWaalsContact CG2-CD1 3.5Å; V178-F185 HydrophobicContact CG2-CD2 4.48Å; V178-F185 HydrophobicContact CG2-CE1 3.73Å; V178-F185 HydrophobicContact CG2-CG 3.9Å; V178-F185 HydrophobicContact CG2-CZ 4.33Å; V178-T191 HydrophobicContact CB-CG2 3.9Å; V178-T191 HydrophobicContact CG1-CG2 3.39Å; V178-I192 PolarHBondContact O-N 2.9Å; V178-V351 HydrophobicContact CG2-CG1 3.59Å |
| 179 | G | 96.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 102.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | S43 G133 G134 L177 | S43-G179 WeakPolarHBondContact OG-CA 3.35Å; G133-G179 CarbonylContact C-O 3.54Å; G133-G179 PolarHBondContact O-N 3.39Å; G134-G179 PolarHBondContact N-O 3.34Å; L177-G179 PolarHBondContact O-N 2.74Å |
| 180 | S | 95.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 16 Ų | 16 | 5% | 0.049 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 147.3 | 179 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | S43 D182 T191 I192 T194 | S43-S180 PolarHBondContact OG-N 3.06Å; S180-D182 PolarHBondContact OG-N 3.44Å; S180-D182 PolarHBondContact OG-OD2 3.45Å; S180-T191 WeakPolarHBondContact O-CB 3.15Å; S180-T191 PolarHBondContact O-OG1 3.5Å; S180-I192 CarbonylContact C-O 3.56Å; S180-I192 PolarHBondContact N-O 3.41Å; S180-I192 CarbonylContact O-C 3.53Å; S180-T194 PolarHBondContact O-N 3.07Å; S180-T194 PolarHBondContact O-OG1 3.13Å |
| 181 | I | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -82.6 | -23.6 | 170.7 | 66.8 | 166.6 | 0 | 0 | 0 | 111.9 | N183 T194 A197 M224 L231 Q316 R317 | I181-N183 VanDerWaalsContact C-N 3.32Å; I181-N183 PolarHBondContact O-N 3.41Å; I181-T194 VanDerWaalsContact C-OG1 3.3Å; I181-T194 WeakPolarHBondContact O-CA 3.44Å; I181-T194 WeakPolarHBondContact O-CB 3.19Å; I181-T194 PolarHBondContact O-OG1 3.45Å; I181-A197 HydrophobicContact CB-CB 3.71Å; I181-A197 HydrophobicContact CD1-CB 4.48Å; I181-A197 HydrophobicContact CG2-CB 3.91Å; I181-M224 HydrophobicContact CD1-CB 3.91Å; I181-M224 HydrophobicContact CD1-SD 3.94Å; I181-L231 HydrophobicContact CD1-CD1 4.37Å; I181-L231 HydrophobicContact CG1-CD1 4.4Å; I181-Q316 HydrophobicContact CD1-CB 4.35Å; I181-R317 HydrophobicContact CD1-CG 3.84Å |
| 182 | D | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -74.5 | -21.6 | -164.4 | -55.4 | -37.1 | 0 | 0 | 0 | 113.1 | S180 D184 G225 R226 | S180-D182 PolarHBondContact OG-N 3.44Å; S180-D182 PolarHBondContact OG-OD2 3.45Å; D182-D184 HydrophobicContact CB-CB 4.13Å; D182-D184 PolarHBondContact O-N 2.86Å; D182-G225 VanDerWaalsContact OD1-CA 3.3Å; D182-G225 WeakPolarHBondContact OD1-CA 3.31Å; D182-R226 IonicContact OD2-CZ 2.76Å |
| 183 | N | 94.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 10.7 Ų | 10.7 | 9% | 0.091 | 6% | 0.061 | C | C | . | . | trans | 52 | 38.1 | -170 | -154.2 | 29.3 | 0 | 0 | 0 | 113.6 | I181 D189 M190 T191 T194 Y230 | I181-N183 VanDerWaalsContact C-N 3.32Å; I181-N183 PolarHBondContact O-N 3.41Å; N183-D189 PolarHBondContact ND2-O 3.02Å; N183-M190 VanDerWaalsContact OD1-CA 3.31Å; N183-M190 WeakPolarHBondContact OD1-CA 3.48Å; N183-T191 WeakPolarHBondContact CA-OG1 3.37Å; N183-T191 PolarHBondContact N-OG1 3.45Å; N183-T191 PolarHBondContact OD1-N 3.36Å; N183-T191 VanDerWaalsContact OD1-N 3.11Å; N183-T194 HydrophobicContact CB-CG2 3.79Å; N183-T194 PolarHBondContact N-OG1 3.31Å; N183-Y230 HydrophobicContact CB-CD1 3.66Å; N183-Y230 HydrophobicContact CB-CE1 4.2Å; N183-Y230 HydrophobicContact CB-CG 3.95Å; N183-Y230 WeakPolarHBondContact ND2-CE1 3.42Å | ||
| 184 | D | 91.8 | Very high | 94.3 | Very high | 9 Ų | 9 | 8.6 Ų | 8.6 | 5% | 0.048 | 5% | 0.052 | C | C | . | . | trans | -94.3 | -5.3 | -173.7 | 66.9 | -18.9 | 0 | 0 | 0 | 114 | D182 R226 C228 R390 | D182-D184 HydrophobicContact CB-CB 4.13Å; D182-D184 PolarHBondContact O-N 2.86Å; D184-R226 IonicContact OD2-NH1 2.73Å; D184-R226 PolarHBondContact OD2-NH1 2.82Å; D184-R226 VanDerWaalsContact OD2-NH1 3.13Å; D184-C228 HydrophobicContact CB-CB 3.82Å; D184-R390 PolarHBondContact O-NH1 2.83Å; D184-R390 VanDerWaalsContact O-NH1 3.15Å | ||
| 185 | F | 90.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 8.4 Ų | 8.4 | 2% | 0.018 | 5% | 0.05 | C | C | . | . | trans | -85 | 115.7 | -177 | -167.9 | -96.1 | 0 | 0 | 0 | 112.5 | D135 L138 V178 G187 T188 T191 V351 L364 C367 | D135-F185 HydrophobicContact CB-CD2 3.97Å; D135-F185 HydrophobicContact CB-CE2 4.44Å; L138-F185 HydrophobicContact CD1-CD2 4.49Å; L138-F185 HydrophobicContact CD1-CE2 3.85Å; L138-F185 HydrophobicContact CD1-CZ 3.86Å; V178-F185 HydrophobicContact CG1-CB 3.68Å; V178-F185 HydrophobicContact CG1-CD1 4.3Å; V178-F185 HydrophobicContact CG1-CD2 4.36Å; V178-F185 HydrophobicContact CG1-CG 3.87Å; V178-F185 HydrophobicContact CG2-CB 4.44Å; V178-F185 HydrophobicContact CG2-CD1 3.5Å; V178-F185 VanDerWaalsContact CG2-CD1 3.5Å; V178-F185 HydrophobicContact CG2-CD2 4.48Å; V178-F185 HydrophobicContact CG2-CE1 3.73Å; V178-F185 HydrophobicContact CG2-CG 3.9Å; V178-F185 HydrophobicContact CG2-CZ 4.33Å; F185-G187 PolarHBondContact O-N 3.37Å; F185-T188 HydrophobicContact CD1-CG2 4.45Å; F185-T191 HydrophobicContact CB-CG2 4.13Å; F185-V351 HydrophobicContact CE1-CG1 4.02Å; F185-V351 HydrophobicContact CE1-CG2 4.3Å; F185-V351 HydrophobicContact CZ-CG2 4.1Å; F185-L364 HydrophobicContact CZ-CD1 4.46Å; F185-C367 HydrophobicContact CD1-CB 4.44Å; F185-C367 HydrophobicContact CE1-CB 3.44Å; F185-C367 VanDerWaalsContact CE1-CB 3.44Å; F185-C367 HydrophobicContact CE2-CB 4.4Å; F185-C367 HydrophobicContact CZ-CB 3.41Å; F185-C367 VanDerWaalsContact CZ-CB 3.41Å | ||
| 186 | C | 88.1 | Confident | 94.5 | Very high | 10 Ų | 10 | 8.3 Ų | 8.3 | 7% | 0.068 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 124.4 | -178.6 | -66 | 0 | 0 | 0 | 0 | 111.3 | C367 R370 T371 | C186-C367 WeakPolarHBondContact O-CA 3.34Å; C186-C367 VanDerWaalsContact O-CB 3.23Å; C186-C367 WeakPolarHBondContact O-CB 3.35Å; C186-C367 PolarHBondContact O-SG 3.41Å; C186-R370 HydrophobicContact CB-CB 3.6Å; C186-T371 WeakPolarHBondContact CB-OG1 3.33Å; C186-T371 PolarHBondContact N-OG1 3.44Å |
| 187 | G | 86.3 | Confident | 94.6 | Very high | 17 Ų | 17 | 8.3 Ų | 8.3 | 18% | 0.175 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 119.3 | 0.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F185 A353 H355 | F185-G187 PolarHBondContact O-N 3.37Å; G187-A353 WeakPolarHBondContact O-CB 3.38Å; G187-H355 PolarHBondContact O-NE2 2.67Å |
| 188 | T | 91.4 | Very high | 94.6 | Very high | 15 Ų | 15 | 8.5 Ų | 8.5 | 9% | 0.092 | 5% | 0.051 | C | C | . | . | trans | -127.1 | 147.9 | 165.7 | -169.7 | 0 | 0 | 0 | 0 | 109.4 | F185 M190 T191 I354 | F185-T188 HydrophobicContact CD1-CG2 4.45Å; T188-M190 VanDerWaalsContact C-N 3.34Å; T188-M190 WeakPolarHBondContact CG2-O 3.47Å; T188-M190 PolarHBondContact OG1-O 3.28Å; T188-T191 HydrophobicContact CG2-CG2 3.7Å; T188-I354 PolarHBondContact OG1-N 2.94Å; T188-I354 VanDerWaalsContact OG1-N 3.15Å | ||
| 189 | D | 89.9 | Confident | 94.7 | Very high | 68 Ų | 68 | 9.8 Ų | 9.8 | 36% | 0.364 | 6% | 0.057 | S | C | . | . | S | Bend | trans | -74.7 | -29.3 | 176.4 | -69.2 | -18.5 | 0 | 0 | 0 | 111.7 | N183 I354 H355 G356 | N183-D189 PolarHBondContact ND2-O 3.02Å; D189-I354 HydrophobicContact CB-CG2 4.44Å; D189-I354 WeakPolarHBondContact CB-O 3.27Å; D189-I354 PolarHBondContact N-O 2.85Å; D189-H355 IonicContact OD1-CD2 3.7Å; D189-H355 VanDerWaalsContact OD2-CA 3.26Å; D189-H355 WeakPolarHBondContact OD2-CA 3.49Å; D189-G356 PolarHBondContact OD2-N 3.48Å |
| 190 | M | 93.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 12.8 Ų | 12.8 | 10% | 0.099 | 7% | 0.068 | C | C | . | . | trans | -145.8 | 138.5 | 178.8 | -160.9 | 70.9 | 74.8 | 0 | 0 | 110.5 | N183 T188 T194 Y230 F324 I354 | N183-M190 VanDerWaalsContact OD1-CA 3.31Å; N183-M190 WeakPolarHBondContact OD1-CA 3.48Å; T188-M190 VanDerWaalsContact C-N 3.34Å; T188-M190 WeakPolarHBondContact CG2-O 3.47Å; T188-M190 PolarHBondContact OG1-O 3.28Å; M190-T194 HydrophobicContact SD-CG2 3.44Å; M190-T194 WeakPolarHBondContact SD-CG2 3.29Å; M190-Y230 HydrophobicContact CE-CE1 4.41Å; M190-Y230 WeakPolarHBondContact CE-OH 3.5Å; M190-Y230 HydrophobicContact SD-CE1 4.03Å; M190-F324 HydrophobicContact CB-CE1 4.09Å; M190-F324 HydrophobicContact CB-CZ 4.2Å; M190-F324 HydrophobicContact CG-CE1 3.69Å; M190-F324 HydrophobicContact CG-CZ 4.24Å; M190-I354 HydrophobicContact CB-CG2 4.23Å | ||
| 191 | T | 95.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.006 | 7% | 0.066 | C | C | . | . | trans | -93.8 | 151.8 | 169.7 | 52.7 | 0 | 0 | 0 | 0 | 111.4 | V178 S180 N183 F185 T188 G193 T194 | V178-T191 HydrophobicContact CB-CG2 3.9Å; V178-T191 HydrophobicContact CG1-CG2 3.39Å; S180-T191 WeakPolarHBondContact O-CB 3.15Å; S180-T191 PolarHBondContact O-OG1 3.5Å; N183-T191 WeakPolarHBondContact CA-OG1 3.37Å; N183-T191 PolarHBondContact N-OG1 3.45Å; N183-T191 PolarHBondContact OD1-N 3.36Å; N183-T191 VanDerWaalsContact OD1-N 3.11Å; F185-T191 HydrophobicContact CB-CG2 4.13Å; T188-T191 HydrophobicContact CG2-CG2 3.7Å; T191-G193 PolarHBondContact O-N 3.33Å; T191-G193 VanDerWaalsContact O-N 3.15Å; T191-T194 PolarHBondContact O-N 3.24Å; T191-T194 PolarHBondContact OG1-OG1 3.49Å | ||
| 192 | I | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 115.8 | 179.5 | -59.3 | 165.6 | 0 | 0 | 0 | 108.7 | S43 G45 A49 L177 V178 S180 L328 M332 | S43-I192 VanDerWaalsContact CB-O 3.3Å; S43-I192 WeakPolarHBondContact CB-O 3.49Å; S43-I192 PolarHBondContact OG-O 2.93Å; G45-I192 VanDerWaalsContact C-CG2 3.49Å; A49-I192 HydrophobicContact CB-CD1 4.15Å; L177-I192 HydrophobicContact CB-CD1 4.46Å; V178-I192 PolarHBondContact O-N 2.9Å; S180-I192 CarbonylContact C-O 3.56Å; S180-I192 PolarHBondContact N-O 3.41Å; S180-I192 CarbonylContact O-C 3.53Å; I192-L328 HydrophobicContact CG1-CD2 3.85Å; I192-L328 HydrophobicContact CG1-CG 4.06Å; I192-M332 HydrophobicContact CD1-SD 3.88Å; I192-M332 HydrophobicContact CG1-SD 3.92Å |
| 193 | G | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 110.8 | -14.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q44 T191 D195 T196 A197 D325 | Q44-G193 WeakPolarHBondContact O-CA 3.45Å; Q44-G193 PolarHBondContact O-N 2.96Å; T191-G193 PolarHBondContact O-N 3.33Å; T191-G193 VanDerWaalsContact O-N 3.15Å; G193-D195 PolarHBondContact O-N 2.92Å; G193-T196 PolarHBondContact O-N 3Å; G193-A197 WeakPolarHBondContact O-CB 3.26Å; G193-A197 PolarHBondContact O-N 3Å; G193-D325 WeakPolarHBondContact CA-OD2 3.5Å; G193-D325 PolarHBondContact N-OD1 3.43Å; G193-D325 PolarHBondContact N-OD2 3.29Å |
| 194 | T | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 178.8 | -66.4 | 0 | 0 | 0 | 0 | 112 | S180 I181 N183 M190 T191 A197 L198 Y230 L231 | S180-T194 PolarHBondContact O-N 3.07Å; S180-T194 PolarHBondContact O-OG1 3.13Å; I181-T194 VanDerWaalsContact C-OG1 3.3Å; I181-T194 WeakPolarHBondContact O-CA 3.44Å; I181-T194 WeakPolarHBondContact O-CB 3.19Å; I181-T194 PolarHBondContact O-OG1 3.45Å; N183-T194 HydrophobicContact CB-CG2 3.79Å; N183-T194 PolarHBondContact N-OG1 3.31Å; M190-T194 HydrophobicContact SD-CG2 3.44Å; M190-T194 WeakPolarHBondContact SD-CG2 3.29Å; T191-T194 PolarHBondContact O-N 3.24Å; T191-T194 PolarHBondContact OG1-OG1 3.49Å; T194-A197 PolarHBondContact O-N 3.22Å; T194-L198 HydrophobicContact CG2-CD1 4.45Å; T194-L198 WeakPolarHBondContact O-CG 3.41Å; T194-L198 PolarHBondContact O-N 2.68Å; T194-Y230 HydrophobicContact CG2-CD1 3.75Å; T194-Y230 HydrophobicContact CG2-CE1 3.59Å; T194-L231 HydrophobicContact CG2-CD2 3.93Å |
| 195 | D | 97.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.011 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.6 | -44.1 | -179.5 | -177.1 | 72.6 | 0 | 0 | 0 | 110.7 | G193 A197 L198 H199 S322 F324 | G193-D195 PolarHBondContact O-N 2.92Å; D195-A197 VanDerWaalsContact C-N 3.33Å; D195-A197 PolarHBondContact O-N 3.38Å; D195-L198 WeakPolarHBondContact O-CB 3.49Å; D195-L198 PolarHBondContact O-N 3.47Å; D195-L198 VanDerWaalsContact O-N 3.14Å; D195-H199 PolarHBondContact O-CD2 3.05Å; D195-H199 VanDerWaalsContact O-CD2 3.26Å; D195-H199 PolarHBondContact O-N 2.89Å; D195-H199 IonicContact OD2-CD2 3.09Å; D195-H199 IonicContact OD2-NE2 3.21Å; D195-S322 WeakPolarHBondContact OD2-CB 3.31Å; D195-S322 PolarHBondContact OD2-OG 3.36Å; D195-F324 HydrophobicContact CB-CB 4.35Å; D195-F324 HydrophobicContact CB-CD1 3.74Å; D195-F324 HydrophobicContact CB-CG 4.35Å |
| 196 | T | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 174.9 | -53.9 | 0 | 0 | 0 | 0 | 112.2 | Q44 G193 L198 H199 R200 N320 P321 S322 D325 | Q44-T196 HydrophobicContact CB-CG2 3.59Å; Q44-T196 HydrophobicContact CG-CG2 3.53Å; G193-T196 PolarHBondContact O-N 3Å; T196-L198 VanDerWaalsContact C-N 3.32Å; T196-L198 PolarHBondContact O-N 2.97Å; T196-H199 WeakPolarHBondContact O-CB 3.05Å; T196-H199 PolarHBondContact O-N 2.76Å; T196-H199 VanDerWaalsContact O-N 3.11Å; T196-R200 WeakPolarHBondContact O-CG 3.42Å; T196-R200 PolarHBondContact O-N 2.87Å; T196-R200 VanDerWaalsContact O-N 3.07Å; T196-N320 WeakPolarHBondContact CG2-O 3.42Å; T196-P321 WeakPolarHBondContact OG1-CA 3.37Å; T196-S322 PolarHBondContact OG1-N 3.47Å; T196-D325 VanDerWaalsContact CB-OD2 3.29Å; T196-D325 WeakPolarHBondContact CB-OD2 3.41Å; T196-D325 PolarHBondContact N-OD2 3.46Å; T196-D325 PolarHBondContact OG1-OD2 3.01Å |
| 197 | A | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I181 G193 T194 D195 H199 R200 I201 L231 Q316 | I181-A197 HydrophobicContact CB-CB 3.71Å; I181-A197 HydrophobicContact CD1-CB 4.48Å; I181-A197 HydrophobicContact CG2-CB 3.91Å; G193-A197 WeakPolarHBondContact O-CB 3.26Å; G193-A197 PolarHBondContact O-N 3Å; T194-A197 PolarHBondContact O-N 3.22Å; D195-A197 VanDerWaalsContact C-N 3.33Å; D195-A197 PolarHBondContact O-N 3.38Å; A197-H199 VanDerWaalsContact C-N 3.3Å; A197-H199 PolarHBondContact O-N 2.89Å; A197-R200 WeakPolarHBondContact O-CB 3.45Å; A197-R200 PolarHBondContact O-N 3.18Å; A197-R200 VanDerWaalsContact O-N 3.12Å; A197-I201 VanDerWaalsContact O-CG1 3.32Å; A197-I201 WeakPolarHBondContact O-CG1 3.23Å; A197-I201 PolarHBondContact O-N 3.02Å; A197-L231 HydrophobicContact CB-CD1 4.34Å; A197-L231 HydrophobicContact CB-CD2 4.07Å; A197-Q316 WeakPolarHBondContact CB-O 3.35Å |
| 198 | L | 98.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.7 | -40 | 172.5 | -71.2 | 169.7 | 0 | 0 | 0 | 112 | T194 D195 T196 R200 I201 I202 Y230 L231 V234 P691 | T194-L198 HydrophobicContact CG2-CD1 4.45Å; T194-L198 WeakPolarHBondContact O-CG 3.41Å; T194-L198 PolarHBondContact O-N 2.68Å; D195-L198 WeakPolarHBondContact O-CB 3.49Å; D195-L198 PolarHBondContact O-N 3.47Å; D195-L198 VanDerWaalsContact O-N 3.14Å; T196-L198 VanDerWaalsContact C-N 3.32Å; T196-L198 PolarHBondContact O-N 2.97Å; L198-R200 VanDerWaalsContact C-N 3.3Å; L198-R200 PolarHBondContact O-N 3.47Å; L198-I201 PolarHBondContact O-N 2.8Å; L198-I202 WeakPolarHBondContact O-CG1 3.47Å; L198-I202 PolarHBondContact O-N 2.91Å; L198-Y230 HydrophobicContact CD1-CE1 4.34Å; L198-L231 HydrophobicContact CD2-CD2 3.71Å; L198-L231 HydrophobicContact CG-CD2 3.68Å; L198-V234 HydrophobicContact CD1-CB 4.23Å; L198-V234 HydrophobicContact CD1-CG1 3.7Å; L198-V234 HydrophobicContact CD2-CB 3.91Å; L198-V234 HydrophobicContact CD2-CG1 3.94Å; L198-V234 HydrophobicContact CG-CG1 4.48Å; L198-P691 HydrophobicContact CB-CB 3.87Å; L198-P691 HydrophobicContact CB-CG 3.97Å; L198-P691 WeakPolarHBondContact O-CG 3.22Å |
| 199 | H | 98 | Very high | 95.7 | Very high | 29 Ų | 29 | 21.1 Ų | 21.1 | 13% | 0.134 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 174.7 | -85.2 | -119.1 | 0 | 0 | 0 | 111.6 | D195 T196 A197 E203 T690 P691 | D195-H199 PolarHBondContact O-CD2 3.05Å; D195-H199 VanDerWaalsContact O-CD2 3.26Å; D195-H199 PolarHBondContact O-N 2.89Å; D195-H199 IonicContact OD2-CD2 3.09Å; D195-H199 IonicContact OD2-NE2 3.21Å; T196-H199 WeakPolarHBondContact O-CB 3.05Å; T196-H199 PolarHBondContact O-N 2.76Å; T196-H199 VanDerWaalsContact O-N 3.11Å; A197-H199 VanDerWaalsContact C-N 3.3Å; A197-H199 PolarHBondContact O-N 2.89Å; H199-E203 WeakPolarHBondContact O-CB 3.29Å; H199-E203 PolarHBondContact O-N 3.06Å; H199-T690 VanDerWaalsContact CE1-CG2 3.41Å; H199-T690 WeakPolarHBondContact CE1-CG2 3.5Å; H199-P691 HydrophobicContact CB-CG 4.39Å; H199-P691 VanDerWaalsContact CD2-CD 3.42Å; H199-P691 WeakPolarHBondContact CD2-CD 3.42Å |
| 200 | R | 97.8 | Very high | 95.5 | Very high | 65 Ų | 65 | 21.4 Ų | 21.4 | 25% | 0.245 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.3 | -40.9 | 177.8 | -59.5 | -61.7 | 89.3 | -152.2 | -6.2 | 111.8 | T196 A197 L198 E203 A204 V315 | T196-R200 WeakPolarHBondContact O-CG 3.42Å; T196-R200 PolarHBondContact O-N 2.87Å; T196-R200 VanDerWaalsContact O-N 3.07Å; A197-R200 WeakPolarHBondContact O-CB 3.45Å; A197-R200 PolarHBondContact O-N 3.18Å; A197-R200 VanDerWaalsContact O-N 3.12Å; L198-R200 VanDerWaalsContact C-N 3.3Å; L198-R200 PolarHBondContact O-N 3.47Å; R200-E203 IonicContact CZ-OE2 2.67Å; R200-E203 IonicContact NH1-OE1 3.06Å; R200-E203 IonicContact NH1-OE2 3.9Å; R200-E203 PolarHBondContact NH1-OE2 3.48Å; R200-E203 IonicContact NH2-OE2 3.19Å; R200-E203 PolarHBondContact NH2-OE2 2.95Å; R200-A204 WeakPolarHBondContact O-CB 3.18Å; R200-A204 PolarHBondContact O-N 2.87Å; R200-A204 VanDerWaalsContact O-N 3.14Å; R200-V315 VanDerWaalsContact CG-O 3.26Å; R200-V315 WeakPolarHBondContact CG-O 3.42Å |
| 201 | I | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.3 | -49.8 | 177.7 | -65.5 | 164.1 | 0 | 0 | 0 | 110.5 | A197 L198 A204 I205 V223 L231 A235 L312 Q316 | A197-I201 VanDerWaalsContact O-CG1 3.32Å; A197-I201 WeakPolarHBondContact O-CG1 3.23Å; A197-I201 PolarHBondContact O-N 3.02Å; L198-I201 PolarHBondContact O-N 2.8Å; I201-A204 PolarHBondContact O-N 3.44Å; I201-I205 HydrophobicContact CG2-CD1 3.68Å; I201-I205 HydrophobicContact CG2-CG1 4.4Å; I201-I205 WeakPolarHBondContact O-CG1 3.4Å; I201-I205 PolarHBondContact O-N 3.5Å; I201-V223 HydrophobicContact CD1-CB 4.27Å; I201-V223 HydrophobicContact CD1-CG1 4.3Å; I201-V223 HydrophobicContact CG1-CG1 4.28Å; I201-V223 HydrophobicContact CG2-CG1 3.87Å; I201-L231 HydrophobicContact CD1-CB 3.9Å; I201-L231 HydrophobicContact CD1-CD1 4.28Å; I201-L231 HydrophobicContact CD1-CD2 4.17Å; I201-L231 HydrophobicContact CD1-CG 4.35Å; I201-A235 HydrophobicContact CG2-CB 3.58Å; I201-L312 HydrophobicContact CB-CD1 4.21Å; I201-L312 HydrophobicContact CG1-CD1 3.95Å; I201-L312 HydrophobicContact CG2-CD1 4.19Å; I201-Q316 HydrophobicContact CG1-CG 3.96Å |
| 202 | I | 97.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.2 | -40.3 | -178.6 | -66.9 | -57.6 | 0 | 0 | 0 | 111.8 | L198 A204 I205 D206 A235 A238 P691 | L198-I202 WeakPolarHBondContact O-CG1 3.47Å; L198-I202 PolarHBondContact O-N 2.91Å; I202-A204 VanDerWaalsContact C-N 3.29Å; I202-A204 PolarHBondContact O-N 2.9Å; I202-I205 PolarHBondContact O-N 2.8Å; I202-D206 WeakPolarHBondContact O-CB 3.39Å; I202-D206 PolarHBondContact O-N 3.48Å; I202-A235 HydrophobicContact CD1-CB 4.36Å; I202-A238 HydrophobicContact CD1-CB 3.74Å; I202-A238 HydrophobicContact CG1-CB 4.29Å; I202-P691 HydrophobicContact CB-CG 4.04Å; I202-P691 HydrophobicContact CG1-CB 3.9Å; I202-P691 HydrophobicContact CG1-CG 3.74Å |
| 203 | E | 95.7 | Very high | 94.3 | Very high | 107 Ų | 107 | 26 Ų | 26 | 50% | 0.5 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -58.5 | -42.8 | 174.1 | -177.3 | 178.7 | 149 | 0 | 0 | 111.8 | H199 R200 A207 | H199-E203 WeakPolarHBondContact O-CB 3.29Å; H199-E203 PolarHBondContact O-N 3.06Å; R200-E203 IonicContact CZ-OE2 2.67Å; R200-E203 IonicContact NH1-OE1 3.06Å; R200-E203 IonicContact NH1-OE2 3.9Å; R200-E203 PolarHBondContact NH1-OE2 3.48Å; R200-E203 IonicContact NH2-OE2 3.19Å; R200-E203 PolarHBondContact NH2-OE2 2.95Å; E203-A207 WeakPolarHBondContact O-CB 3.19Å; E203-A207 PolarHBondContact O-N 2.77Å |
| 204 | A | 96.1 | Very high | 93.8 | Very high | 24 Ų | 24 | 30.1 Ų | 30.1 | 20% | 0.198 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.8 | -40.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R200 I201 I202 A207 V208 L312 | R200-A204 WeakPolarHBondContact O-CB 3.18Å; R200-A204 PolarHBondContact O-N 2.87Å; R200-A204 VanDerWaalsContact O-N 3.14Å; I201-A204 PolarHBondContact O-N 3.44Å; I202-A204 VanDerWaalsContact C-N 3.29Å; I202-A204 PolarHBondContact O-N 2.9Å; A204-A207 PolarHBondContact O-N 3Å; A204-V208 WeakPolarHBondContact O-CB 3.43Å; A204-V208 VanDerWaalsContact O-CG2 3.32Å; A204-V208 WeakPolarHBondContact O-CG2 3.39Å; A204-V208 PolarHBondContact O-N 3.14Å; A204-L312 HydrophobicContact CB-CD1 4.16Å; A204-L312 HydrophobicContact CB-CD2 3.41Å; A204-L312 VanDerWaalsContact CB-CD2 3.41Å; A204-L312 HydrophobicContact CB-CG 4.45Å |
| 205 | I | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.7 | -46.1 | 177.3 | -66.5 | 169.1 | 0 | 0 | 0 | 110.7 | I201 I202 A207 V208 Q209 V221 A235 I275 I277 | I201-I205 HydrophobicContact CG2-CD1 3.68Å; I201-I205 HydrophobicContact CG2-CG1 4.4Å; I201-I205 WeakPolarHBondContact O-CG1 3.4Å; I201-I205 PolarHBondContact O-N 3.5Å; I202-I205 PolarHBondContact O-N 2.8Å; I205-A207 VanDerWaalsContact C-N 3.26Å; I205-A207 PolarHBondContact O-N 2.9Å; I205-V208 PolarHBondContact O-N 3.4Å; I205-V208 VanDerWaalsContact O-N 3.15Å; I205-Q209 WeakPolarHBondContact O-CB 3.27Å; I205-Q209 PolarHBondContact O-N 3.33Å; I205-V221 HydrophobicContact CG1-CG1 4.28Å; I205-V221 HydrophobicContact CG1-CG2 4.44Å; I205-A235 HydrophobicContact CD1-CB 4.46Å; I205-I275 HydrophobicContact CG2-CG2 4.21Å; I205-I277 HydrophobicContact CD1-CD1 3.67Å; I205-I277 HydrophobicContact CD1-CG1 4.27Å |
| 206 | D | 93.8 | Very high | 92.8 | Very high | 32 Ų | 32 | 40 Ų | 40 | 17% | 0.171 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.1 | -40.2 | 177.4 | -70.2 | -9.7 | 0 | 0 | 0 | 110.8 | I202 Q209 R694 | I202-D206 WeakPolarHBondContact O-CB 3.39Å; I202-D206 PolarHBondContact O-N 3.48Å; D206-Q209 PolarHBondContact O-N 3.41Å; D206-R694 IonicContact OD1-CZ 3.93Å; D206-R694 IonicContact OD1-NH1 3.62Å; D206-R694 PolarHBondContact OD1-NH1 3.45Å; D206-R694 IonicContact OD1-NH2 3.17Å; D206-R694 IonicContact OD2-CZ 2.6Å; D206-R694 IonicContact OD2-NH1 3.24Å; D206-R694 PolarHBondContact OD2-NH1 2.87Å; D206-R694 IonicContact OD2-NH2 3.22Å; D206-R694 PolarHBondContact OD2-NH2 3.34Å |
| 207 | A | 92.8 | Very high | 92.5 | Very high | 62 Ų | 62 | 42.6 Ų | 42.6 | 51% | 0.512 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.6 | -45.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E203 A204 I205 Q209 S210 | E203-A207 WeakPolarHBondContact O-CB 3.19Å; E203-A207 PolarHBondContact O-N 2.77Å; A204-A207 PolarHBondContact O-N 3Å; I205-A207 VanDerWaalsContact C-N 3.26Å; I205-A207 PolarHBondContact O-N 2.9Å; A207-Q209 VanDerWaalsContact C-N 3.31Å; A207-Q209 PolarHBondContact O-N 3.37Å; A207-S210 PolarHBondContact O-N 3.07Å; A207-S210 PolarHBondContact O-OG 3.02Å |
| 208 | V | 91.9 | Very high | 92.4 | Very high | 18 Ų | 18 | 42.6 Ų | 42.6 | 11% | 0.109 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | 176.7 | 166.4 | 0 | 0 | 0 | 0 | 111.6 | A204 I205 S210 T211 A212 F219 I275 | A204-V208 WeakPolarHBondContact O-CB 3.43Å; A204-V208 VanDerWaalsContact O-CG2 3.32Å; A204-V208 WeakPolarHBondContact O-CG2 3.39Å; A204-V208 PolarHBondContact O-N 3.14Å; I205-V208 PolarHBondContact O-N 3.4Å; I205-V208 VanDerWaalsContact O-N 3.15Å; V208-S210 VanDerWaalsContact C-N 3.28Å; V208-S210 PolarHBondContact O-N 2.92Å; V208-T211 WeakPolarHBondContact O-CG2 3.4Å; V208-T211 PolarHBondContact O-N 2.89Å; V208-A212 VanDerWaalsContact O-CB 3.31Å; V208-A212 WeakPolarHBondContact O-CB 3.4Å; V208-A212 PolarHBondContact O-N 3.08Å; V208-F219 HydrophobicContact CG1-CB 3.84Å; V208-F219 HydrophobicContact CG1-CD1 3.34Å; V208-F219 HydrophobicContact CG1-CD2 3.62Å; V208-F219 HydrophobicContact CG1-CE1 3.66Å; V208-F219 HydrophobicContact CG1-CE2 3.93Å; V208-F219 HydrophobicContact CG1-CG 3.31Å; V208-F219 HydrophobicContact CG1-CZ 3.94Å; V208-I275 HydrophobicContact CG1-CD1 4.36Å |
| 209 | Q | 88.2 | Confident | 92.3 | Very high | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.1 | -38.4 | -176.8 | -171.5 | 161.4 | -4.5 | 0 | 0 | 112.1 | I205 D206 A207 A212 Q213 N479 M482 | I205-Q209 WeakPolarHBondContact O-CB 3.27Å; I205-Q209 PolarHBondContact O-N 3.33Å; D206-Q209 PolarHBondContact O-N 3.41Å; A207-Q209 VanDerWaalsContact C-N 3.31Å; A207-Q209 PolarHBondContact O-N 3.37Å; Q209-A212 PolarHBondContact O-N 3.35Å; Q209-Q213 HydrophobicContact CG-CG 4.49Å; Q209-Q213 WeakPolarHBondContact O-CB 3.47Å; Q209-Q213 WeakPolarHBondContact O-CG 3.31Å; Q209-Q213 PolarHBondContact O-N 2.9Å; Q209-N479 PolarHBondContact NE2-OD1 3.49Å; Q209-M482 VanDerWaalsContact CD-SD 3.54Å; Q209-M482 HydrophobicContact CG-SD 4.37Å; Q209-M482 PolarHBondContact OE1-SD 3.15Å |
| 210 | S | 85.9 | Confident | 92.3 | Very high | 73 Ų | 73 | 41.7 Ų | 41.7 | 51% | 0.51 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 177.6 | 70.7 | 0 | 0 | 0 | 0 | 113.1 | A207 V208 S214 | A207-S210 PolarHBondContact O-N 3.07Å; A207-S210 PolarHBondContact O-OG 3.02Å; V208-S210 VanDerWaalsContact C-N 3.28Å; V208-S210 PolarHBondContact O-N 2.92Å; S210-S214 PolarHBondContact O-N 3.17Å; S210-S214 PolarHBondContact O-OG 3.2Å |
| 211 | T | 88.9 | Confident | 92.3 | Very high | 54 Ų | 54 | 38.7 Ų | 38.7 | 33% | 0.331 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -73.1 | -34 | 177.6 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | V208 Q213 S214 H215 F219 | V208-T211 WeakPolarHBondContact O-CG2 3.4Å; V208-T211 PolarHBondContact O-N 2.89Å; T211-Q213 PolarHBondContact O-N 3.25Å; T211-S214 PolarHBondContact O-N 2.93Å; T211-H215 PolarHBondContact O-CD2 3.31Å; T211-H215 PolarHBondContact O-N 3.07Å; T211-F219 HydrophobicContact CG2-CZ 4.06Å |
| 212 | A | 87 | Confident | 92.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V208 Q209 S214 H215 Q216 R217 F219 V273 | V208-A212 VanDerWaalsContact O-CB 3.31Å; V208-A212 WeakPolarHBondContact O-CB 3.4Å; V208-A212 PolarHBondContact O-N 3.08Å; Q209-A212 PolarHBondContact O-N 3.35Å; A212-S214 VanDerWaalsContact C-N 3.32Å; A212-S214 PolarHBondContact O-N 2.91Å; A212-H215 PolarHBondContact O-N 2.82Å; A212-Q216 WeakPolarHBondContact O-CA 3.25Å; A212-Q216 PolarHBondContact O-N 2.95Å; A212-R217 PolarHBondContact O-N 3.5Å; A212-F219 HydrophobicContact CB-CD2 3.57Å; A212-F219 HydrophobicContact CB-CE2 3.46Å; A212-F219 VanDerWaalsContact CB-CE2 3.46Å; A212-V273 HydrophobicContact CB-CB 4.24Å; A212-V273 HydrophobicContact CB-CG1 3.47Å; A212-V273 VanDerWaalsContact CB-CG1 3.47Å; A212-V273 HydrophobicContact CB-CG2 3.7Å; A212-V273 WeakPolarHBondContact O-CG2 3.44Å |
| 213 | Q | 85.7 | Confident | 92.4 | Very high | 64 Ų | 64 | 41.1 Ų | 41.1 | 30% | 0.299 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.4 | -37.8 | 179.4 | -78.4 | -177.4 | -4.7 | 0 | 0 | 112.3 | Q209 T211 R272 V273 N479 | Q209-Q213 HydrophobicContact CG-CG 4.49Å; Q209-Q213 WeakPolarHBondContact O-CB 3.47Å; Q209-Q213 WeakPolarHBondContact O-CG 3.31Å; Q209-Q213 PolarHBondContact O-N 2.9Å; T211-Q213 PolarHBondContact O-N 3.25Å; Q213-R272 PolarHBondContact O-NE 3.23Å; Q213-R272 VanDerWaalsContact O-NE 3.07Å; Q213-R272 PolarHBondContact O-NH2 2.88Å; Q213-V273 HydrophobicContact CB-CG2 3.99Å; Q213-V273 HydrophobicContact CG-CG2 3.47Å; Q213-V273 VanDerWaalsContact CG-CG2 3.47Å; Q213-N479 PolarHBondContact NE2-ND2 3.37Å |
| 214 | S | 87.9 | Confident | 92.5 | Very high | 86 Ų | 86 | 36.8 Ų | 36.8 | 60% | 0.601 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -64.5 | -43.4 | 178.1 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | S210 T211 A212 | S210-S214 PolarHBondContact O-N 3.17Å; S210-S214 PolarHBondContact O-OG 3.2Å; T211-S214 PolarHBondContact O-N 2.93Å; A212-S214 VanDerWaalsContact C-N 3.32Å; A212-S214 PolarHBondContact O-N 2.91Å |
| 215 | H | 86.9 | Confident | 92.4 | Very high | 106 Ų | 106 | 35.7 Ų | 35.7 | 49% | 0.491 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -100.6 | 4.6 | -174.2 | -66 | -67.9 | 0 | 0 | 0 | 115 | T211 A212 R217 | T211-H215 PolarHBondContact O-CD2 3.31Å; T211-H215 PolarHBondContact O-N 3.07Å; A212-H215 PolarHBondContact O-N 2.82Å; H215-R217 VanDerWaalsContact C-N 3.26Å; H215-R217 HydrophobicContact CB-CG 3.69Å; H215-R217 PolarHBondContact O-N 3.13Å |
| 216 | Q | 87.3 | Confident | 92.3 | Very high | 104 Ų | 104 | 40.6 Ų | 40.6 | 49% | 0.486 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 39.2 | -173.9 | -55.1 | -173.7 | 29.5 | 0 | 0 | 113.3 | A212 R267 R272 | A212-Q216 WeakPolarHBondContact O-CA 3.25Å; A212-Q216 PolarHBondContact O-N 2.95Å; Q216-R267 VanDerWaalsContact O-CZ 3.29Å; Q216-R267 PolarHBondContact O-NH1 2.8Å; Q216-R267 PolarHBondContact O-NH2 3.25Å; Q216-R272 CarbonylContact C-O 3.6Å; Q216-R272 WeakPolarHBondContact CA-O 3.16Å; Q216-R272 VanDerWaalsContact CG-CZ 3.48Å; Q216-R272 VanDerWaalsContact CG-NH2 3.27Å |
| 217 | R | 91.9 | Very high | 92.2 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 21% | 0.211 | 23% | 0.234 | C | C | . | . | trans | -90.1 | 161.4 | -171.7 | -77 | 176.3 | 178.1 | 154.1 | 6.3 | 113.8 | A212 H215 F219 R267 N274 D306 | A212-R217 PolarHBondContact O-N 3.5Å; H215-R217 VanDerWaalsContact C-N 3.26Å; H215-R217 HydrophobicContact CB-CG 3.69Å; H215-R217 PolarHBondContact O-N 3.13Å; R217-F219 HydrophobicContact CB-CD2 4.15Å; R217-F219 HydrophobicContact CB-CE2 3.71Å; R217-R267 VanDerWaalsContact C-NH2 3.28Å; R217-R267 PolarHBondContact O-NH2 2.87Å; R217-N274 PolarHBondContact O-N 3.49Å; R217-D306 WeakPolarHBondContact CA-O 3.48Å; R217-D306 HydrophobicContact CG-CB 4.09Å; R217-D306 IonicContact CZ-OD2 3.55Å; R217-D306 IonicContact NE-OD2 2.74Å; R217-D306 PolarHBondContact NE-OD2 2.88Å; R217-D306 IonicContact NH2-OD2 3.56Å | ||
| 218 | S | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 139.3 | 166.9 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | R267 N274 D306 T307 R308 | S218-R267 PolarHBondContact OG-NH2 2.86Å; S218-N274 CarbonylContact C-O 3.41Å; S218-N274 WeakPolarHBondContact CA-O 3.08Å; S218-N274 PolarHBondContact OG-OD1 3.01Å; S218-D306 PolarHBondContact N-O 3.43Å; S218-T307 VanDerWaalsContact O-CA 3.26Å; S218-T307 WeakPolarHBondContact O-CA 3.21Å; S218-R308 PolarHBondContact O-N 2.66Å |
| 219 | F | 96.7 | Very high | 92.6 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132.9 | 178.2 | -80.6 | -97.9 | 0 | 0 | 0 | 110.7 | V208 T211 A212 R217 V221 N274 I275 I276 R308 | V208-F219 HydrophobicContact CG1-CB 3.84Å; V208-F219 HydrophobicContact CG1-CD1 3.34Å; V208-F219 HydrophobicContact CG1-CD2 3.62Å; V208-F219 HydrophobicContact CG1-CE1 3.66Å; V208-F219 HydrophobicContact CG1-CE2 3.93Å; V208-F219 HydrophobicContact CG1-CG 3.31Å; V208-F219 HydrophobicContact CG1-CZ 3.94Å; T211-F219 HydrophobicContact CG2-CZ 4.06Å; A212-F219 HydrophobicContact CB-CD2 3.57Å; A212-F219 HydrophobicContact CB-CE2 3.46Å; A212-F219 VanDerWaalsContact CB-CE2 3.46Å; R217-F219 HydrophobicContact CB-CD2 4.15Å; R217-F219 HydrophobicContact CB-CE2 3.71Å; F219-V221 HydrophobicContact CB-CG2 4.47Å; F219-N274 PolarHBondContact N-O 2.72Å; F219-I275 HydrophobicContact CB-CD1 4Å; F219-I276 PolarHBondContact O-N 3.1Å; F219-R308 CarbonylContact C-O 3.58Å; F219-R308 WeakPolarHBondContact CA-O 3.1Å; F219-R308 HydrophobicContact CD1-CB 3.85Å; F219-R308 HydrophobicContact CE1-CB 3.66Å; F219-R308 HydrophobicContact CE1-CG 4.33Å; F219-R308 HydrophobicContact CZ-CB 4.21Å; F219-R308 HydrophobicContact CZ-CG 4.45Å |
| 220 | V | 97.7 | Very high | 93 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 109.5 | 168.3 | -171.9 | 0 | 0 | 0 | 0 | 107.4 | I276 C278 A292 V295 R296 I299 T307 R308 I309 T310 | V220-I276 CarbonylContact C-O 3.55Å; V220-I276 WeakPolarHBondContact CA-O 3.39Å; V220-I276 HydrophobicContact CG2-CB 4.38Å; V220-C278 HydrophobicContact CG1-CB 4.38Å; V220-A292 HydrophobicContact CG1-CB 3.74Å; V220-V295 HydrophobicContact CG1-CB 4.2Å; V220-V295 HydrophobicContact CG1-CG1 4.09Å; V220-V295 HydrophobicContact CG2-CB 4.32Å; V220-V295 HydrophobicContact CG2-CG1 3.75Å; V220-R296 HydrophobicContact CG2-CB 4.43Å; V220-I299 HydrophobicContact CG2-CD1 4.3Å; V220-T307 HydrophobicContact CG2-CG2 3.98Å; V220-R308 PolarHBondContact N-O 3.24Å; V220-I309 HydrophobicContact CB-CG1 4.28Å; V220-I309 CarbonylContact O-C 3.54Å; V220-I309 VanDerWaalsContact O-CA 3.3Å; V220-I309 WeakPolarHBondContact O-CA 3.44Å; V220-T310 PolarHBondContact O-N 2.94Å |
| 221 | V | 97.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 116.6 | -178 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | I205 F219 V223 I276 I277 C278 T310 L312 | I205-V221 HydrophobicContact CG1-CG1 4.28Å; I205-V221 HydrophobicContact CG1-CG2 4.44Å; F219-V221 HydrophobicContact CB-CG2 4.47Å; V221-V223 HydrophobicContact CG1-CG1 4.21Å; V221-I276 PolarHBondContact N-O 2.78Å; V221-I277 WeakPolarHBondContact O-CA 3.45Å; V221-C278 PolarHBondContact O-N 3.22Å; V221-T310 WeakPolarHBondContact CA-O 3.3Å; V221-L312 HydrophobicContact CG1-CD1 4.02Å; V221-L312 HydrophobicContact CG1-CD2 4.18Å; V221-L312 HydrophobicContact CG1-CG 3.92Å |
| 222 | E | 98.5 | Very high | 94 | Very high | 53 Ų | 53 | 35.3 Ų | 35.3 | 25% | 0.248 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125 | 176.9 | -168.3 | -177.9 | 115.4 | 0 | 0 | 110.3 | C278 A292 T310 V311 L312 | E222-C278 WeakPolarHBondContact CA-O 3.28Å; E222-A292 HydrophobicContact CB-CB 4.31Å; E222-T310 PolarHBondContact N-O 3.41Å; E222-V311 HydrophobicContact CB-CB 4.38Å; E222-V311 HydrophobicContact CB-CG1 4.3Å; E222-V311 HydrophobicContact CB-CG2 4.05Å; E222-L312 PolarHBondContact O-N 3.42Å |
| 223 | V | 98.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 147 | -175.8 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | I201 V221 A232 I277 C278 E280 L312 | I201-V223 HydrophobicContact CD1-CB 4.27Å; I201-V223 HydrophobicContact CD1-CG1 4.3Å; I201-V223 HydrophobicContact CG1-CG1 4.28Å; I201-V223 HydrophobicContact CG2-CG1 3.87Å; V221-V223 HydrophobicContact CG1-CG1 4.21Å; V223-A232 HydrophobicContact CG2-CB 3.54Å; V223-I277 HydrophobicContact CG1-CG2 3.92Å; V223-I277 HydrophobicContact CG2-CG2 3.71Å; V223-C278 PolarHBondContact N-O 2.91Å; V223-E280 PolarHBondContact O-N 2.97Å; V223-L312 HydrophobicContact CG1-CD1 4.14Å |
| 224 | M | 98.1 | Very high | 95 | Very high | 16 Ų | 16 | 32.4 Ų | 32.4 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | trans | -70.3 | 169.7 | 176.3 | -82.4 | -178.3 | 154.3 | 0 | 0 | 111.3 | I181 L231 Q316 R317 | I181-M224 HydrophobicContact CD1-CB 3.91Å; I181-M224 HydrophobicContact CD1-SD 3.94Å; M224-L231 WeakPolarHBondContact O-CD1 3.31Å; M224-Q316 HydrophobicContact SD-CB 4.39Å; M224-R317 HydrophobicContact SD-CG 4.33Å | ||
| 225 | G | 95.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | trans | 154.1 | 2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | D182 H227 C228 E280 | D182-G225 VanDerWaalsContact OD1-CA 3.3Å; D182-G225 WeakPolarHBondContact OD1-CA 3.31Å; G225-H227 PolarHBondContact O-N 2.83Å; G225-C228 CarbonylContact C-O 3.59Å; G225-C228 WeakPolarHBondContact CA-O 3.14Å; G225-C228 WeakPolarHBondContact O-CA 3.38Å; G225-C228 WeakPolarHBondContact O-CB 3.4Å; G225-C228 PolarHBondContact O-N 2.79Å; G225-E280 PolarHBondContact N-OE1 2.86Å | ||
| 226 | R | 92.8 | Very high | 95.9 | Very high | 103 Ų | 103 | 23.4 Ų | 23.4 | 39% | 0.389 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | -98.1 | -173.5 | -173.5 | -167.7 | -70.9 | 156.9 | -11.2 | 111.4 | D135 D182 D184 E280 G281 | D135-R226 IonicContact OD1-NH1 3.3Å; D135-R226 PolarHBondContact OD1-NH1 2.83Å; D182-R226 IonicContact OD2-CZ 2.76Å; D184-R226 IonicContact OD2-NH1 2.73Å; D184-R226 PolarHBondContact OD2-NH1 2.82Å; D184-R226 VanDerWaalsContact OD2-NH1 3.13Å; R226-E280 VanDerWaalsContact CA-OE1 3.25Å; R226-E280 WeakPolarHBondContact CA-OE1 3.32Å; R226-E280 PolarHBondContact N-OE1 2.76Å; R226-G281 VanDerWaalsContact O-CA 3.22Å; R226-G281 WeakPolarHBondContact O-CA 3.49Å; R226-G281 PolarHBondContact O-N 3.05Å |
| 227 | H | 92.7 | Very high | 96.1 | Very high | 114 Ų | 114 | 18.7 Ų | 18.7 | 53% | 0.528 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 21.2 | 176.5 | -57.4 | -54.7 | 0 | 0 | 0 | 110.9 | G225 M378 R390 | G225-H227 PolarHBondContact O-N 2.83Å; H227-M378 HydrophobicContact CB-CE 4.29Å; H227-M378 WeakPolarHBondContact O-CE 3.45Å; H227-R390 PolarHBondContact O-NH2 3.49Å |
| 228 | C | 95.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.014 | 7% | 0.071 | C | C | . | . | trans | -119.4 | 126.9 | 176.4 | -168.5 | 0 | 0 | 0 | 0 | 111.2 | D184 G225 Y230 E248 | D184-C228 HydrophobicContact CB-CB 3.82Å; G225-C228 CarbonylContact C-O 3.59Å; G225-C228 WeakPolarHBondContact CA-O 3.14Å; G225-C228 WeakPolarHBondContact O-CA 3.38Å; G225-C228 WeakPolarHBondContact O-CB 3.4Å; G225-C228 PolarHBondContact O-N 2.79Å; C228-Y230 VanDerWaalsContact C-N 3.29Å; C228-Y230 PolarHBondContact O-N 2.85Å; C228-E248 VanDerWaalsContact CA-OE1 3.23Å; C228-E248 WeakPolarHBondContact CA-OE1 3.49Å; C228-E248 PolarHBondContact SG-OE1 3.25Å | ||
| 229 | G | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -85.1 | 7.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L231 A232 L233 E248 | G229-L231 PolarHBondContact O-N 2.51Å; G229-A232 PolarHBondContact O-N 2.82Å; G229-L233 VanDerWaalsContact O-CB 3.27Å; G229-L233 WeakPolarHBondContact O-CB 3.36Å; G229-L233 PolarHBondContact O-N 2.85Å; G229-E248 VanDerWaalsContact CA-OE2 3.29Å; G229-E248 WeakPolarHBondContact CA-OE2 3.31Å; G229-E248 VanDerWaalsContact N-CD 3.34Å; G229-E248 PolarHBondContact N-OE1 3.07Å; G229-E248 PolarHBondContact N-OE2 3.49Å | ||
| 230 | Y | 96.9 | Very high | 95.8 | Very high | 19 Ų | 19 | 16.6 Ų | 16.6 | 8% | 0.075 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.1 | -47.8 | -173.5 | -177.7 | -94.6 | 0 | 0 | 0 | 112.2 | N183 M190 T194 L198 C228 L233 V234 F394 | N183-Y230 HydrophobicContact CB-CD1 3.66Å; N183-Y230 HydrophobicContact CB-CE1 4.2Å; N183-Y230 HydrophobicContact CB-CG 3.95Å; N183-Y230 WeakPolarHBondContact ND2-CE1 3.42Å; M190-Y230 HydrophobicContact CE-CE1 4.41Å; M190-Y230 WeakPolarHBondContact CE-OH 3.5Å; M190-Y230 HydrophobicContact SD-CE1 4.03Å; T194-Y230 HydrophobicContact CG2-CD1 3.75Å; T194-Y230 HydrophobicContact CG2-CE1 3.59Å; L198-Y230 HydrophobicContact CD1-CE1 4.34Å; C228-Y230 VanDerWaalsContact C-N 3.29Å; C228-Y230 PolarHBondContact O-N 2.85Å; Y230-L233 PolarHBondContact O-N 2.96Å; Y230-V234 HydrophobicContact CD1-CG2 4.35Å; Y230-V234 HydrophobicContact CD2-CG2 4.3Å; Y230-V234 HydrophobicContact CE1-CG2 3.96Å; Y230-V234 HydrophobicContact CE2-CG2 3.92Å; Y230-V234 WeakPolarHBondContact O-CG2 3.22Å; Y230-V234 PolarHBondContact O-N 3.03Å; Y230-F394 AromaticContact CD2-CD2 3.99Å; Y230-F394 HydrophobicContact CD2-CD2 3.99Å |
| 231 | L | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.3 | -49.4 | 177.4 | -71.3 | 178.3 | 0 | 0 | 0 | 111.5 | I181 T194 A197 L198 I201 M224 G229 L233 A235 | I181-L231 HydrophobicContact CD1-CD1 4.37Å; I181-L231 HydrophobicContact CG1-CD1 4.4Å; T194-L231 HydrophobicContact CG2-CD2 3.93Å; A197-L231 HydrophobicContact CB-CD1 4.34Å; A197-L231 HydrophobicContact CB-CD2 4.07Å; L198-L231 HydrophobicContact CD2-CD2 3.71Å; L198-L231 HydrophobicContact CG-CD2 3.68Å; I201-L231 HydrophobicContact CD1-CB 3.9Å; I201-L231 HydrophobicContact CD1-CD1 4.28Å; I201-L231 HydrophobicContact CD1-CD2 4.17Å; I201-L231 HydrophobicContact CD1-CG 4.35Å; M224-L231 WeakPolarHBondContact O-CD1 3.31Å; G229-L231 PolarHBondContact O-N 2.51Å; L231-L233 PolarHBondContact O-N 2.85Å; L231-A235 WeakPolarHBondContact O-CB 3.41Å; L231-A235 PolarHBondContact O-N 3.2Å |
| 232 | A | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V223 G229 G236 T244 I246 I277 A279 | V223-A232 HydrophobicContact CG2-CB 3.54Å; G229-A232 PolarHBondContact O-N 2.82Å; A232-G236 PolarHBondContact O-N 3.03Å; A232-T244 HydrophobicContact CB-CG2 3.93Å; A232-T244 WeakPolarHBondContact O-CG2 3.34Å; A232-I246 HydrophobicContact CB-CG2 3.82Å; A232-I277 HydrophobicContact CB-CG2 3.86Å; A232-A279 HydrophobicContact CB-CB 3.89Å |
| 233 | L | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.9 | -49.3 | -179.1 | 174.4 | 59.9 | 0 | 0 | 0 | 111.7 | G229 Y230 L231 G236 L237 I246 F394 N397 L398 Y401 | G229-L233 VanDerWaalsContact O-CB 3.27Å; G229-L233 WeakPolarHBondContact O-CB 3.36Å; G229-L233 PolarHBondContact O-N 2.85Å; Y230-L233 PolarHBondContact O-N 2.96Å; L231-L233 PolarHBondContact O-N 2.85Å; L233-G236 PolarHBondContact O-N 2.84Å; L233-L237 PolarHBondContact O-N 2.78Å; L233-L237 VanDerWaalsContact O-N 3.1Å; L233-I246 HydrophobicContact CB-CG2 4.32Å; L233-F394 HydrophobicContact CD2-CD1 4.26Å; L233-F394 HydrophobicContact CD2-CD2 4.43Å; L233-F394 HydrophobicContact CD2-CE1 4.02Å; L233-F394 HydrophobicContact CD2-CE2 4.19Å; L233-F394 HydrophobicContact CD2-CG 4.45Å; L233-F394 HydrophobicContact CD2-CZ 3.97Å; L233-N397 HydrophobicContact CD2-CB 3.69Å; L233-N397 HydrophobicContact CG-CB 4Å; L233-L398 HydrophobicContact CD1-CD1 4.27Å; L233-L398 HydrophobicContact CD2-CB 4.13Å; L233-Y401 HydrophobicContact CD1-CD1 4.32Å; L233-Y401 HydrophobicContact CD1-CD2 4.41Å; L233-Y401 HydrophobicContact CD1-CG 3.88Å |
| 234 | V | 96.5 | Very high | 95 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.024 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.9 | -39.5 | 179.9 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | L198 Y230 G236 L237 A238 N695 | L198-V234 HydrophobicContact CD1-CB 4.23Å; L198-V234 HydrophobicContact CD1-CG1 3.7Å; L198-V234 HydrophobicContact CD2-CB 3.91Å; L198-V234 HydrophobicContact CD2-CG1 3.94Å; L198-V234 HydrophobicContact CG-CG1 4.48Å; Y230-V234 HydrophobicContact CD1-CG2 4.35Å; Y230-V234 HydrophobicContact CD2-CG2 4.3Å; Y230-V234 HydrophobicContact CE1-CG2 3.96Å; Y230-V234 HydrophobicContact CE2-CG2 3.92Å; Y230-V234 WeakPolarHBondContact O-CG2 3.22Å; Y230-V234 PolarHBondContact O-N 3.03Å; V234-G236 VanDerWaalsContact C-N 3.35Å; V234-G236 PolarHBondContact O-N 3.03Å; V234-L237 PolarHBondContact O-N 3.44Å; V234-A238 WeakPolarHBondContact O-CB 3.44Å; V234-A238 PolarHBondContact O-N 2.97Å; V234-N695 HydrophobicContact CG1-CB 4.29Å |
| 235 | A | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I201 I202 I205 L231 L237 A238 S239 I277 | I201-A235 HydrophobicContact CG2-CB 3.58Å; I202-A235 HydrophobicContact CD1-CB 4.36Å; I205-A235 HydrophobicContact CD1-CB 4.46Å; L231-A235 WeakPolarHBondContact O-CB 3.41Å; L231-A235 PolarHBondContact O-N 3.2Å; A235-L237 VanDerWaalsContact C-N 3.31Å; A235-L237 PolarHBondContact O-N 2.73Å; A235-A238 PolarHBondContact O-N 3.01Å; A235-A238 VanDerWaalsContact O-N 3.16Å; A235-S239 WeakPolarHBondContact O-CB 3.36Å; A235-S239 PolarHBondContact O-N 3.29Å; A235-S239 PolarHBondContact O-OG 3.11Å; A235-I277 HydrophobicContact CB-CD1 3.86Å |
| 236 | G | 95.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 2% | 0.021 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61 | -37.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A232 L233 V234 E240 A241 | A232-G236 PolarHBondContact O-N 3.03Å; L233-G236 PolarHBondContact O-N 2.84Å; V234-G236 VanDerWaalsContact C-N 3.35Å; V234-G236 PolarHBondContact O-N 3.03Å; G236-E240 PolarHBondContact O-N 3.5Å; G236-A241 PolarHBondContact O-N 3.18Å |
| 237 | L | 93.1 | Very high | 95.3 | Very high | 6 Ų | 6 | 10.3 Ų | 10.3 | 3% | 0.031 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -66.4 | -48.6 | 171.8 | -78.4 | 170.7 | 0 | 0 | 0 | 112.4 | L233 V234 A235 N397 T400 Y401 L404 N695 | L233-L237 PolarHBondContact O-N 2.78Å; L233-L237 VanDerWaalsContact O-N 3.1Å; V234-L237 PolarHBondContact O-N 3.44Å; A235-L237 VanDerWaalsContact C-N 3.31Å; A235-L237 PolarHBondContact O-N 2.73Å; L237-N397 HydrophobicContact CD1-CB 3.85Å; L237-N397 WeakPolarHBondContact CD1-OD1 3.46Å; L237-T400 HydrophobicContact CD2-CG2 3.99Å; L237-Y401 HydrophobicContact CD2-CD2 4.31Å; L237-Y401 HydrophobicContact CG-CD2 4.29Å; L237-L404 HydrophobicContact CD2-CD1 4.25Å; L237-N695 WeakPolarHBondContact CD1-ND2 3.1Å |
| 238 | A | 93.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -71.7 | -30 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I202 V234 A235 S481 R694 | I202-A238 HydrophobicContact CD1-CB 3.74Å; I202-A238 HydrophobicContact CG1-CB 4.29Å; V234-A238 WeakPolarHBondContact O-CB 3.44Å; V234-A238 PolarHBondContact O-N 2.97Å; A235-A238 PolarHBondContact O-N 3.01Å; A235-A238 VanDerWaalsContact O-N 3.16Å; A238-S481 PolarHBondContact O-OG 2.98Å; A238-S481 VanDerWaalsContact O-OG 3.04Å; A238-R694 HydrophobicContact CB-CB 3.86Å; A238-R694 WeakPolarHBondContact O-CD 3.46Å |
| 239 | S | 92.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 9.4 Ų | 9.4 | 3% | 0.028 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 3.4 | -179.5 | 80 | 0 | 0 | 0 | 0 | 114.6 | A235 A241 | A235-S239 WeakPolarHBondContact O-CB 3.36Å; A235-S239 PolarHBondContact O-N 3.29Å; A235-S239 PolarHBondContact O-OG 3.11Å; S239-A241 VanDerWaalsContact C-N 3.33Å; S239-A241 PolarHBondContact O-N 2.94Å |
| 240 | E | 90.3 | Very high | 95.4 | Very high | 21 Ų | 21 | 10 Ų | 10 | 10% | 0.098 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 37.5 | -177.1 | -42.4 | -173.1 | -167.5 | 0 | 0 | 114.4 | G236 D242 R441 N479 W480 S481 | G236-E240 PolarHBondContact O-N 3.5Å; E240-D242 PolarHBondContact O-N 2.78Å; E240-R441 VanDerWaalsContact CD-CD 3.44Å; E240-R441 VanDerWaalsContact CG-CZ 3.48Å; E240-R441 VanDerWaalsContact CG-NH2 3.34Å; E240-R441 WeakPolarHBondContact OE1-CD 3.41Å; E240-R441 IonicContact OE1-CZ 3.38Å; E240-R441 IonicContact OE1-NE 3.68Å; E240-R441 PolarHBondContact OE1-NE 3.24Å; E240-R441 VanDerWaalsContact OE1-NE 3.09Å; E240-R441 IonicContact OE2-CZ 2.66Å; E240-R441 IonicContact OE2-NE 2.9Å; E240-R441 PolarHBondContact OE2-NE 3.11Å; E240-R441 IonicContact OE2-NH2 3.59Å; E240-R441 PolarHBondContact OE2-NH2 3.33Å; E240-N479 WeakPolarHBondContact OE1-CA 3.45Å; E240-N479 PolarHBondContact OE1-N 2.67Å; E240-N479 PolarHBondContact OE2-N 2.8Å; E240-W480 PolarHBondContact OE1-N 3.19Å; E240-S481 VanDerWaalsContact CG-OG 3.28Å; E240-S481 WeakPolarHBondContact CG-OG 3.24Å; E240-S481 WeakPolarHBondContact OE1-CB 3.38Å; E240-S481 PolarHBondContact OE1-N 2.6Å; E240-S481 PolarHBondContact OE1-OG 3.35Å; E240-S481 VanDerWaalsContact OE1-OG 3.05Å |
| 241 | A | 92.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 9.4 Ų | 9.4 | 2% | 0.017 | 4% | 0.044 | C | C | . | . | trans | -59.6 | 135.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | G236 S239 F243 I275 I277 | G236-A241 PolarHBondContact O-N 3.18Å; S239-A241 VanDerWaalsContact C-N 3.33Å; S239-A241 PolarHBondContact O-N 2.94Å; A241-F243 VanDerWaalsContact C-N 3.29Å; A241-F243 PolarHBondContact O-N 2.97Å; A241-I275 HydrophobicContact CB-CG2 4.38Å; A241-I277 HydrophobicContact CB-CD1 3.82Å; A241-I277 HydrophobicContact CB-CG1 3.94Å | ||
| 242 | D | 91.8 | Very high | 95 | Very high | 14 Ų | 14 | 11.9 Ų | 11.9 | 8% | 0.075 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -64.8 | -36.1 | 178.1 | -58.3 | -105.4 | 0 | 0 | 0 | 111.4 | E240 K262 L263 N274 I275 | E240-D242 PolarHBondContact O-N 2.78Å; D242-K262 WeakPolarHBondContact O-CD 3.43Å; D242-K262 WeakPolarHBondContact O-CE 3.28Å; D242-K262 PolarHBondContact O-NZ 3.48Å; D242-L263 HydrophobicContact CB-CD2 3.82Å; D242-N274 PolarHBondContact OD1-ND2 2.9Å; D242-N274 WeakPolarHBondContact OD2-CA 3.47Å; D242-I275 PolarHBondContact N-O 3.36Å; D242-I275 PolarHBondContact OD2-N 3.25Å |
| 243 | F | 95.1 | Very high | 94.6 | Very high | 18 Ų | 18 | 14.4 Ų | 14.4 | 8% | 0.079 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 146.1 | 177.2 | -149.6 | -79.8 | 0 | 0 | 0 | 111.5 | A241 F245 I258 L259 K262 I276 I277 Y401 | A241-F243 VanDerWaalsContact C-N 3.29Å; A241-F243 PolarHBondContact O-N 2.97Å; F243-F245 HydrophobicContact CD1-CD1 4.41Å; F243-F245 AromaticContact CD1-CD2 3.94Å; F243-F245 HydrophobicContact CD1-CD2 3.94Å; F243-F245 HydrophobicContact CD1-CE1 4.1Å; F243-F245 AromaticContact CD1-CE2 3.58Å; F243-F245 HydrophobicContact CD1-CE2 3.58Å; F243-F245 HydrophobicContact CD1-CG 4.34Å; F243-F245 AromaticContact CD1-CZ 3.66Å; F243-F245 HydrophobicContact CD1-CZ 3.66Å; F243-F245 AromaticContact CE1-CD1 4Å; F243-F245 HydrophobicContact CE1-CD1 4Å; F243-F245 HydrophobicContact CE1-CD2 4.35Å; F243-F245 AromaticContact CE1-CE1 3.63Å; F243-F245 HydrophobicContact CE1-CE1 3.63Å; F243-F245 HydrophobicContact CE1-CE2 4.01Å; F243-F245 HydrophobicContact CE1-CG 4.34Å; F243-F245 AromaticContact CE1-CZ 3.63Å; F243-F245 HydrophobicContact CE1-CZ 3.63Å; F243-F245 HydrophobicContact CG-CE2 4.49Å; F243-I258 HydrophobicContact CE2-CG2 4.24Å; F243-L259 HydrophobicContact CB-CD1 3.72Å; F243-L259 HydrophobicContact CD1-CD1 4.39Å; F243-L259 HydrophobicContact CD2-CD1 3.91Å; F243-L259 HydrophobicContact CG-CD1 3.75Å; F243-K262 HydrophobicContact CD2-CD 3.74Å; F243-K262 HydrophobicContact CE2-CD 4.33Å; F243-I276 HydrophobicContact CB-CG1 4.41Å; F243-I276 HydrophobicContact CB-CG2 4.26Å; F243-I276 CarbonylContact O-C 3.55Å; F243-I276 WeakPolarHBondContact O-CA 3.4Å; F243-I277 PolarHBondContact O-N 3.26Å; F243-Y401 VanDerWaalsContact C-OH 3.24Å; F243-Y401 WeakPolarHBondContact CA-OH 3.47Å |
| 244 | T | 96.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 3% | 0.025 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 121.7 | -179 | -54.3 | 0 | 0 | 0 | 0 | 108.8 | A232 I246 I277 Y401 | A232-T244 HydrophobicContact CB-CG2 3.93Å; A232-T244 WeakPolarHBondContact O-CG2 3.34Å; T244-I246 HydrophobicContact CG2-CG2 3.88Å; T244-I277 CarbonylContact C-O 3.58Å; T244-I277 VanDerWaalsContact CA-O 3.25Å; T244-I277 WeakPolarHBondContact CA-O 3.24Å; T244-I277 HydrophobicContact CG2-CB 4.14Å; T244-I277 HydrophobicContact CG2-CG2 4.28Å; T244-Y401 VanDerWaalsContact CB-OH 3.3Å; T244-Y401 WeakPolarHBondContact CB-OH 3.21Å; T244-Y401 PolarHBondContact N-OH 3.45Å; T244-Y401 VanDerWaalsContact OG1-CE2 3.3Å; T244-Y401 WeakPolarHBondContact OG1-CE2 3.25Å; T244-Y401 PolarHBondContact OG1-OH 3.01Å; T244-Y401 VanDerWaalsContact OG1-OH 3.11Å |
| 245 | F | 97.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.009 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 118.2 | 174.3 | -65.2 | -87.8 | 0 | 0 | 0 | 109.4 | F243 P251 W255 L259 I276 I277 A279 A282 I290 V295 | F243-F245 HydrophobicContact CD1-CD1 4.41Å; F243-F245 AromaticContact CD1-CD2 3.94Å; F243-F245 HydrophobicContact CD1-CD2 3.94Å; F243-F245 HydrophobicContact CD1-CE1 4.1Å; F243-F245 AromaticContact CD1-CE2 3.58Å; F243-F245 HydrophobicContact CD1-CE2 3.58Å; F243-F245 HydrophobicContact CD1-CG 4.34Å; F243-F245 AromaticContact CD1-CZ 3.66Å; F243-F245 HydrophobicContact CD1-CZ 3.66Å; F243-F245 AromaticContact CE1-CD1 4Å; F243-F245 HydrophobicContact CE1-CD1 4Å; F243-F245 HydrophobicContact CE1-CD2 4.35Å; F243-F245 AromaticContact CE1-CE1 3.63Å; F243-F245 HydrophobicContact CE1-CE1 3.63Å; F243-F245 HydrophobicContact CE1-CE2 4.01Å; F243-F245 HydrophobicContact CE1-CG 4.34Å; F243-F245 AromaticContact CE1-CZ 3.63Å; F243-F245 HydrophobicContact CE1-CZ 3.63Å; F243-F245 HydrophobicContact CG-CE2 4.49Å; F245-P251 HydrophobicContact CD1-CG 3.9Å; F245-P251 HydrophobicContact CE1-CG 3.87Å; F245-W255 HydrophobicContact CE1-CD2 4.07Å; F245-W255 AromaticContact CE1-CE3 3.63Å; F245-W255 HydrophobicContact CE1-CE3 3.63Å; F245-W255 AromaticContact CE1-CZ3 3.99Å; F245-W255 HydrophobicContact CE1-CZ3 3.99Å; F245-W255 HydrophobicContact CZ-CD2 4.42Å; F245-W255 AromaticContact CZ-CE3 3.53Å; F245-W255 HydrophobicContact CZ-CE3 3.53Å; F245-W255 AromaticContact CZ-CZ3 3.59Å; F245-W255 HydrophobicContact CZ-CZ3 3.59Å; F245-L259 HydrophobicContact CZ-CD2 4.3Å; F245-I276 HydrophobicContact CD2-CG2 3.99Å; F245-I276 HydrophobicContact CE2-CG2 3.74Å; F245-I277 PolarHBondContact N-O 3.36Å; F245-A279 WeakPolarHBondContact O-CB 3.17Å; F245-A279 PolarHBondContact O-N 2.94Å; F245-A282 HydrophobicContact CB-CB 3.81Å; F245-I290 HydrophobicContact CD1-CD1 3.75Å; F245-I290 HydrophobicContact CD1-CG2 4.12Å; F245-I290 HydrophobicContact CE1-CD1 4.01Å; F245-I290 HydrophobicContact CE1-CG2 4.29Å; F245-I290 HydrophobicContact CG-CG2 4.39Å; F245-V295 HydrophobicContact CD2-CG2 4.25Å; F245-V295 HydrophobicContact CE2-CG1 4.16Å; F245-V295 HydrophobicContact CE2-CG2 3.77Å; F245-V295 HydrophobicContact CZ-CG2 4.13Å |
| 246 | I | 97.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.015 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -127.7 | 145.6 | 176.6 | 61 | 171.7 | 0 | 0 | 0 | 110.7 | A232 L233 T244 E248 W249 F394 L398 | A232-I246 HydrophobicContact CB-CG2 3.82Å; L233-I246 HydrophobicContact CB-CG2 4.32Å; T244-I246 HydrophobicContact CG2-CG2 3.88Å; I246-E248 VanDerWaalsContact C-N 3.35Å; I246-E248 PolarHBondContact O-N 2.93Å; I246-W249 HydrophobicContact CD1-CB 3.93Å; I246-W249 HydrophobicContact CG1-CB 3.95Å; I246-W249 CarbonylContact O-C 3.48Å; I246-W249 PolarHBondContact O-N 3.36Å; I246-F394 HydrophobicContact CD1-CE1 4.31Å; I246-F394 HydrophobicContact CD1-CZ 4.09Å; I246-L398 HydrophobicContact CD1-CD1 3.89Å |
| 247 | P | 97 | Very high | 94.2 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -23.9 | -177.2 | 28.1 | -34.3 | 0 | 0 | 0 | 114.3 | W249 P250 G281 V283 M378 | P247-W249 VanDerWaalsContact C-N 3.33Å; P247-P250 WeakPolarHBondContact O-CD 3.41Å; P247-P250 WeakPolarHBondContact O-CG 3.46Å; P247-G281 WeakPolarHBondContact CB-O 3.47Å; P247-V283 HydrophobicContact CB-CG2 4.47Å; P247-M378 HydrophobicContact CB-CE 3.61Å; P247-M378 HydrophobicContact CG-CE 4.14Å |
| 248 | E | 95.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -20.7 | 178 | -62 | 90.7 | 162.8 | 0 | 0 | 113.2 | C228 G229 I246 V387 R390 F394 | C228-E248 VanDerWaalsContact CA-OE1 3.23Å; C228-E248 WeakPolarHBondContact CA-OE1 3.49Å; C228-E248 PolarHBondContact SG-OE1 3.25Å; G229-E248 VanDerWaalsContact CA-OE2 3.29Å; G229-E248 WeakPolarHBondContact CA-OE2 3.31Å; G229-E248 VanDerWaalsContact N-CD 3.34Å; G229-E248 PolarHBondContact N-OE1 3.07Å; G229-E248 PolarHBondContact N-OE2 3.49Å; I246-E248 VanDerWaalsContact C-N 3.35Å; I246-E248 PolarHBondContact O-N 2.93Å; E248-V387 HydrophobicContact CB-CG2 3.85Å; E248-V387 WeakPolarHBondContact O-CG2 3.27Å; E248-R390 HydrophobicContact CG-CG 4.1Å; E248-R390 IonicContact OE1-CZ 2.65Å; E248-R390 IonicContact OE1-NE 2.93Å; E248-R390 PolarHBondContact OE1-NE 3.34Å; E248-R390 IonicContact OE1-NH2 3.81Å; E248-R390 PolarHBondContact OE1-NH2 3.18Å; E248-R390 VanDerWaalsContact OE1-NH2 3.13Å; E248-F394 HydrophobicContact CB-CE1 3.9Å; E248-F394 HydrophobicContact CB-CZ 3.87Å; E248-F394 HydrophobicContact CG-CE1 4.26Å; E248-F394 HydrophobicContact CG-CZ 3.89Å |
| 249 | W | 95.3 | Very high | 94.3 | Very high | 96 Ų | 96 | 30.2 Ų | 30.2 | 36% | 0.364 | 15% | 0.154 | S | C | . | . | B | Isolated β-bridge | trans | -132.4 | 73.6 | 174.5 | -176.4 | 55.9 | 0 | 0 | 0 | 109.8 | I246 P247 L398 Y401 K402 | I246-W249 HydrophobicContact CD1-CB 3.93Å; I246-W249 HydrophobicContact CG1-CB 3.95Å; I246-W249 CarbonylContact O-C 3.48Å; I246-W249 PolarHBondContact O-N 3.36Å; P247-W249 VanDerWaalsContact C-N 3.33Å; W249-L398 HydrophobicContact CB-CD1 4.14Å; W249-L398 HydrophobicContact CB-CD2 3.95Å; W249-L398 HydrophobicContact CD2-CD1 4.06Å; W249-L398 HydrophobicContact CE3-CD1 3.83Å; W249-L398 HydrophobicContact CG-CD1 4.2Å; W249-L398 HydrophobicContact CG-CD2 4.17Å; W249-Y401 HydrophobicContact CZ3-CE1 4.32Å; W249-K402 HydrophobicContact CH2-CG 4.06Å; W249-K402 HydrophobicContact CZ2-CD 4.38Å; W249-K402 VanDerWaalsContact CZ2-CE 3.48Å; W249-K402 HydrophobicContact CZ2-CG 4.31Å; W249-K402 HydrophobicContact CZ3-CG 4.36Å |
| 250 | P | 95.6 | Very high | 94.5 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 8% | 0.078 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 141.4 | 178.8 | -24.7 | 37.7 | 0 | 0 | 0 | 111.1 | P247 V283 D284 W383 | P247-P250 WeakPolarHBondContact O-CD 3.41Å; P247-P250 WeakPolarHBondContact O-CG 3.46Å; P250-V283 HydrophobicContact CB-CG2 4.4Å; P250-V283 WeakPolarHBondContact CB-O 3.4Å; P250-V283 HydrophobicContact CG-CG2 3.93Å; P250-D284 WeakPolarHBondContact CB-O 3.48Å; P250-W383 HydrophobicContact CG-CD2 3.6Å; P250-W383 HydrophobicContact CG-CE3 3.68Å; P250-W383 HydrophobicContact CG-CG 4.23Å; P250-W383 HydrophobicContact CG-CH2 3.95Å; P250-W383 HydrophobicContact CG-CZ2 3.86Å; P250-W383 HydrophobicContact CG-CZ3 3.86Å |
| 251 | P | 94.5 | Very high | 94.6 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 5% | 0.045 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 160.2 | 175.7 | 37.6 | -40.7 | 0 | 0 | 0 | 110.6 | F245 W255 V283 C285 I290 | F245-P251 HydrophobicContact CD1-CG 3.9Å; F245-P251 HydrophobicContact CE1-CG 3.87Å; P251-W255 HydrophobicContact CB-CB 3.57Å; P251-W255 HydrophobicContact CB-CG 4.42Å; P251-W255 HydrophobicContact CG-CB 3.7Å; P251-W255 HydrophobicContact CG-CG 4.02Å; P251-V283 WeakPolarHBondContact CD-O 3.24Å; P251-C285 WeakPolarHBondContact O-CB 3.41Å; P251-C285 PolarHBondContact O-N 2.83Å; P251-C285 VanDerWaalsContact O-N 3.11Å; P251-I290 HydrophobicContact CG-CD1 3.66Å |
| 252 | P | 92.3 | Very high | 94.6 | Very high | 53 Ų | 53 | 36.4 Ų | 36.4 | 34% | 0.344 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -66.1 | 171.7 | 177.7 | 30.2 | -36.9 | 0 | 0 | 0 | 112.1 | E254 W255 I258 | P252-E254 VanDerWaalsContact C-N 3.28Å; P252-E254 HydrophobicContact CG-CG 4.5Å; P252-E254 PolarHBondContact O-N 2.89Å; P252-W255 VanDerWaalsContact O-CB 3.28Å; P252-W255 WeakPolarHBondContact O-CB 3.4Å; P252-W255 PolarHBondContact O-N 3.31Å; P252-I258 HydrophobicContact CG-CD1 3.37Å |
| 253 | A | 89.3 | Confident | 94.7 | Very high | 53 Ų | 53 | 35.7 Ų | 35.7 | 44% | 0.438 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -39.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W255 | A253-W255 PolarHBondContact O-N 3.07Å; A253-W255 VanDerWaalsContact O-N 3.16Å |
| 254 | E | 92.9 | Very high | 94.6 | Very high | 109 Ų | 109 | 38.8 Ų | 38.8 | 51% | 0.509 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 21.1 | 174.7 | 62.9 | -94.5 | -164.7 | 0 | 0 | 114.9 | P252 R256 D257 I258 | P252-E254 VanDerWaalsContact C-N 3.28Å; P252-E254 HydrophobicContact CG-CG 4.5Å; P252-E254 PolarHBondContact O-N 2.89Å; E254-R256 PolarHBondContact O-N 2.91Å; E254-D257 PolarHBondContact O-N 2.88Å; E254-I258 HydrophobicContact CG-CD1 4.04Å; E254-I258 HydrophobicContact CG-CG1 4.29Å; E254-I258 PolarHBondContact O-N 2.97Å |
| 255 | W | 94.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.9 | -28.1 | -178.4 | 71.6 | -96.6 | 0 | 0 | 0 | 114.2 | F245 P251 P252 A253 I258 L259 I290 V295 I298 | F245-W255 HydrophobicContact CE1-CD2 4.07Å; F245-W255 AromaticContact CE1-CE3 3.63Å; F245-W255 HydrophobicContact CE1-CE3 3.63Å; F245-W255 AromaticContact CE1-CZ3 3.99Å; F245-W255 HydrophobicContact CE1-CZ3 3.99Å; F245-W255 HydrophobicContact CZ-CD2 4.42Å; F245-W255 AromaticContact CZ-CE3 3.53Å; F245-W255 HydrophobicContact CZ-CE3 3.53Å; F245-W255 AromaticContact CZ-CZ3 3.59Å; F245-W255 HydrophobicContact CZ-CZ3 3.59Å; P251-W255 HydrophobicContact CB-CB 3.57Å; P251-W255 HydrophobicContact CB-CG 4.42Å; P251-W255 HydrophobicContact CG-CB 3.7Å; P251-W255 HydrophobicContact CG-CG 4.02Å; P252-W255 VanDerWaalsContact O-CB 3.28Å; P252-W255 WeakPolarHBondContact O-CB 3.4Å; P252-W255 PolarHBondContact O-N 3.31Å; A253-W255 PolarHBondContact O-N 3.07Å; A253-W255 VanDerWaalsContact O-N 3.16Å; W255-I258 PolarHBondContact O-N 2.88Å; W255-L259 HydrophobicContact CE3-CB 4.43Å; W255-L259 HydrophobicContact CE3-CD2 4.35Å; W255-L259 HydrophobicContact CZ3-CD2 3.9Å; W255-L259 VanDerWaalsContact O-CB 3.23Å; W255-L259 WeakPolarHBondContact O-CB 3.46Å; W255-L259 PolarHBondContact O-N 2.9Å; W255-I290 HydrophobicContact CH2-CG2 4.07Å; W255-I290 HydrophobicContact CZ2-CG1 4.42Å; W255-I290 HydrophobicContact CZ2-CG2 4.09Å; W255-V295 HydrophobicContact CH2-CG2 3.87Å; W255-V295 HydrophobicContact CZ3-CG2 4.01Å; W255-I298 HydrophobicContact CH2-CD1 3.2Å; W255-I298 HydrophobicContact CZ2-CD1 3.7Å; W255-I298 HydrophobicContact CZ3-CD1 3.8Å |
| 256 | R | 95.9 | Very high | 93.7 | Very high | 84 Ų | 84 | 42.1 Ų | 42.1 | 32% | 0.317 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.4 | -45 | 177.8 | -53.5 | -170.2 | 171.1 | 69.1 | -1.2 | 111.2 | E254 C260 I298 | E254-R256 PolarHBondContact O-N 2.91Å; R256-C260 WeakPolarHBondContact O-CB 3.35Å; R256-C260 PolarHBondContact O-N 3.26Å; R256-C260 PolarHBondContact O-SG 2.94Å; R256-I298 HydrophobicContact CB-CD1 4.4Å; R256-I298 HydrophobicContact CB-CG2 4.13Å; R256-I298 HydrophobicContact CG-CD1 3.7Å; R256-I298 HydrophobicContact CG-CG1 4.46Å |
| 257 | D | 95.4 | Very high | 93.2 | Very high | 86 Ų | 86 | 43.7 Ų | 43.7 | 46% | 0.46 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.3 | -45.6 | 178.2 | -60.3 | -57.6 | 0 | 0 | 0 | 110.4 | E254 L259 C260 Q261 R302 | E254-D257 PolarHBondContact O-N 2.88Å; D257-L259 PolarHBondContact O-N 3.35Å; D257-C260 PolarHBondContact O-N 3.4Å; D257-Q261 WeakPolarHBondContact O-CB 3.5Å; D257-Q261 PolarHBondContact O-N 3.34Å; D257-R302 IonicContact OD1-CZ 3.57Å; D257-R302 IonicContact OD1-NH1 3.27Å; D257-R302 PolarHBondContact OD1-NH1 3.31Å; D257-R302 IonicContact OD1-NH2 2.78Å; D257-R302 IonicContact OD2-NH1 3.66Å |
| 258 | I | 93.6 | Very high | 92.7 | Very high | 63 Ų | 63 | 49.4 Ų | 49.4 | 32% | 0.323 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 177.9 | -62.3 | 174.4 | 0 | 0 | 0 | 110.9 | F243 P252 E254 W255 K262 | F243-I258 HydrophobicContact CE2-CG2 4.24Å; P252-I258 HydrophobicContact CG-CD1 3.37Å; E254-I258 HydrophobicContact CG-CD1 4.04Å; E254-I258 HydrophobicContact CG-CG1 4.29Å; E254-I258 PolarHBondContact O-N 2.97Å; W255-I258 PolarHBondContact O-N 2.88Å; I258-K262 VanDerWaalsContact O-CB 3.23Å; I258-K262 WeakPolarHBondContact O-CB 3.23Å; I258-K262 PolarHBondContact O-N 3.26Å |
| 259 | L | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.2 | -52.6 | 177.4 | 176.3 | 68.4 | 0 | 0 | 0 | 110.2 | F243 F245 W255 D257 Q261 K262 L263 I276 V295 I299 | F243-L259 HydrophobicContact CB-CD1 3.72Å; F243-L259 HydrophobicContact CD1-CD1 4.39Å; F243-L259 HydrophobicContact CD2-CD1 3.91Å; F243-L259 HydrophobicContact CG-CD1 3.75Å; F245-L259 HydrophobicContact CZ-CD2 4.3Å; W255-L259 HydrophobicContact CE3-CB 4.43Å; W255-L259 HydrophobicContact CE3-CD2 4.35Å; W255-L259 HydrophobicContact CZ3-CD2 3.9Å; W255-L259 VanDerWaalsContact O-CB 3.23Å; W255-L259 WeakPolarHBondContact O-CB 3.46Å; W255-L259 PolarHBondContact O-N 2.9Å; D257-L259 PolarHBondContact O-N 3.35Å; L259-Q261 PolarHBondContact O-N 3.21Å; L259-K262 PolarHBondContact O-N 3.02Å; L259-K262 VanDerWaalsContact O-N 3.15Å; L259-L263 HydrophobicContact CD1-CD1 3.91Å; L259-L263 HydrophobicContact CD1-CD2 4.28Å; L259-L263 HydrophobicContact CD1-CG 3.92Å; L259-L263 HydrophobicContact CG-CD1 4.05Å; L259-L263 HydrophobicContact CG-CG 4.29Å; L259-L263 VanDerWaalsContact O-CG 3.32Å; L259-L263 WeakPolarHBondContact O-CG 3.47Å; L259-L263 PolarHBondContact O-N 2.94Å; L259-I276 HydrophobicContact CD1-CG1 4.32Å; L259-V295 HydrophobicContact CD2-CG1 3.88Å; L259-I299 HydrophobicContact CD2-CD1 4.26Å; L259-I299 HydrophobicContact CD2-CG1 4.11Å |
| 260 | C | 95.3 | Very high | 91.3 | Very high | 11 Ų | 11 | 50 Ų | 50 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -45.8 | -176.7 | -75 | 0 | 0 | 0 | 0 | 112.3 | R256 D257 K262 L263 H264 L303 | R256-C260 WeakPolarHBondContact O-CB 3.35Å; R256-C260 PolarHBondContact O-N 3.26Å; R256-C260 PolarHBondContact O-SG 2.94Å; D257-C260 PolarHBondContact O-N 3.4Å; C260-K262 VanDerWaalsContact C-N 3.3Å; C260-K262 PolarHBondContact O-N 2.77Å; C260-L263 PolarHBondContact O-N 3.18Å; C260-H264 VanDerWaalsContact O-CB 3.27Å; C260-H264 WeakPolarHBondContact O-CB 3.32Å; C260-H264 PolarHBondContact O-N 3.26Å; C260-L303 HydrophobicContact CB-CD1 4.27Å; C260-L303 HydrophobicContact CB-CD2 4.08Å; C260-L303 HydrophobicContact CB-CG 4.17Å |
| 261 | Q | 93.7 | Very high | 90.7 | Very high | 118 Ų | 118 | 51 Ų | 51 | 55% | 0.551 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -57.3 | -47.5 | 175.1 | -179.1 | -179.5 | 0.8 | 0 | 0 | 110.4 | D257 L259 L263 H264 E265 | D257-Q261 WeakPolarHBondContact O-CB 3.5Å; D257-Q261 PolarHBondContact O-N 3.34Å; L259-Q261 PolarHBondContact O-N 3.21Å; Q261-L263 PolarHBondContact O-N 3.17Å; Q261-H264 PolarHBondContact O-N 3.39Å; Q261-E265 HydrophobicContact CG-CG 4.4Å; Q261-E265 VanDerWaalsContact CG-OE1 3.29Å; Q261-E265 WeakPolarHBondContact CG-OE1 3.25Å; Q261-E265 PolarHBondContact NE2-OE1 3.47Å; Q261-E265 WeakPolarHBondContact O-CB 3.27Å; Q261-E265 WeakPolarHBondContact O-CG 3.19Å; Q261-E265 PolarHBondContact O-N 3.13Å |
| 262 | K | 91.5 | Very high | 90.3 | Very high | 28 Ų | 28 | 55.9 Ų | 55.9 | 12% | 0.122 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -46.3 | -177.1 | -164.1 | -173.4 | -165.7 | 179.5 | 0 | 112.3 | D242 F243 I258 L259 C260 E265 T266 T405 I407 | D242-K262 WeakPolarHBondContact O-CD 3.43Å; D242-K262 WeakPolarHBondContact O-CE 3.28Å; D242-K262 PolarHBondContact O-NZ 3.48Å; F243-K262 HydrophobicContact CD2-CD 3.74Å; F243-K262 HydrophobicContact CE2-CD 4.33Å; I258-K262 VanDerWaalsContact O-CB 3.23Å; I258-K262 WeakPolarHBondContact O-CB 3.23Å; I258-K262 PolarHBondContact O-N 3.26Å; L259-K262 PolarHBondContact O-N 3.02Å; L259-K262 VanDerWaalsContact O-N 3.15Å; C260-K262 VanDerWaalsContact C-N 3.3Å; C260-K262 PolarHBondContact O-N 2.77Å; K262-E265 PolarHBondContact O-N 3.19Å; K262-T266 WeakPolarHBondContact O-CG2 3.48Å; K262-T266 PolarHBondContact O-N 3.22Å; K262-T266 PolarHBondContact O-OG1 2.65Å; K262-T266 VanDerWaalsContact O-OG1 3.1Å; K262-T405 WeakPolarHBondContact CE-O 3.31Å; K262-T405 VanDerWaalsContact NZ-CB 3.3Å; K262-T405 PolarHBondContact NZ-O 3.41Å; K262-T405 PolarHBondContact NZ-OG1 2.97Å; K262-I407 HydrophobicContact CB-CD1 4.02Å; K262-I407 HydrophobicContact CG-CD1 3.42Å; K262-I407 VanDerWaalsContact CG-CD1 3.42Å; K262-I407 HydrophobicContact CG-CG1 3.88Å |
| 263 | L | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 178.8 | -62.8 | -172.2 | 0 | 0 | 0 | 111.9 | D242 L259 C260 Q261 T266 R267 N274 I276 I299 L303 Y305 | D242-L263 HydrophobicContact CB-CD2 3.82Å; L259-L263 HydrophobicContact CD1-CD1 3.91Å; L259-L263 HydrophobicContact CD1-CD2 4.28Å; L259-L263 HydrophobicContact CD1-CG 3.92Å; L259-L263 HydrophobicContact CG-CD1 4.05Å; L259-L263 HydrophobicContact CG-CG 4.29Å; L259-L263 VanDerWaalsContact O-CG 3.32Å; L259-L263 WeakPolarHBondContact O-CG 3.47Å; L259-L263 PolarHBondContact O-N 2.94Å; C260-L263 PolarHBondContact O-N 3.18Å; Q261-L263 PolarHBondContact O-N 3.17Å; L263-T266 WeakPolarHBondContact CA-OG1 3.45Å; L263-T266 PolarHBondContact O-OG1 3.32Å; L263-R267 WeakPolarHBondContact O-CB 3.31Å; L263-R267 WeakPolarHBondContact O-CG 3.44Å; L263-R267 PolarHBondContact O-N 2.89Å; L263-N274 HydrophobicContact CD2-CB 3.83Å; L263-I276 HydrophobicContact CD1-CD1 4.02Å; L263-I276 HydrophobicContact CD1-CG1 4.39Å; L263-I276 HydrophobicContact CD2-CD1 4.3Å; L263-I276 HydrophobicContact CD2-CG1 4.4Å; L263-I299 HydrophobicContact CD1-CD1 3.62Å; L263-I299 HydrophobicContact CD1-CG1 3.77Å; L263-I299 HydrophobicContact CD1-CG2 4.37Å; L263-L303 HydrophobicContact CB-CD1 3.78Å; L263-L303 HydrophobicContact CD1-CD1 4.41Å; L263-Y305 HydrophobicContact CB-CE2 4.5Å |
| 264 | H | 92.9 | Very high | 90.3 | Very high | 83 Ų | 83 | 51 Ų | 51 | 38% | 0.384 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 176.4 | -172.5 | 64.6 | 0 | 0 | 0 | 111.7 | C260 Q261 R267 L268 L303 Y305 | C260-H264 VanDerWaalsContact O-CB 3.27Å; C260-H264 WeakPolarHBondContact O-CB 3.32Å; C260-H264 PolarHBondContact O-N 3.26Å; Q261-H264 PolarHBondContact O-N 3.39Å; H264-R267 WeakPolarHBondContact O-CB 3.33Å; H264-R267 PolarHBondContact O-N 2.85Å; H264-L268 WeakPolarHBondContact O-CG 3.14Å; H264-L268 PolarHBondContact O-N 2.93Å; H264-L303 HydrophobicContact CB-CD2 4.03Å; H264-Y305 PolarHBondContact ND1-OH 3.1Å |
| 265 | E | 88.8 | Confident | 90.4 | Very high | 55 Ų | 55 | 46.1 Ų | 46.1 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 178.7 | -75.5 | -179.3 | -161.9 | 0 | 0 | 111.6 | Q261 K262 R267 L268 H269 I407 | Q261-E265 HydrophobicContact CG-CG 4.4Å; Q261-E265 VanDerWaalsContact CG-OE1 3.29Å; Q261-E265 WeakPolarHBondContact CG-OE1 3.25Å; Q261-E265 PolarHBondContact NE2-OE1 3.47Å; Q261-E265 WeakPolarHBondContact O-CB 3.27Å; Q261-E265 WeakPolarHBondContact O-CG 3.19Å; Q261-E265 PolarHBondContact O-N 3.13Å; K262-E265 PolarHBondContact O-N 3.19Å; E265-R267 VanDerWaalsContact C-N 3.25Å; E265-R267 PolarHBondContact O-N 3.03Å; E265-L268 WeakPolarHBondContact O-CB 3.36Å; E265-L268 PolarHBondContact O-N 3.29Å; E265-L268 VanDerWaalsContact O-N 3.16Å; E265-H269 PolarHBondContact O-N 3.26Å; E265-H269 PolarHBondContact O-ND1 3.31Å; E265-I407 HydrophobicContact CB-CD1 3.61Å; E265-I407 HydrophobicContact CB-CG2 4.14Å; E265-I407 HydrophobicContact CG-CD1 4.4Å; E265-I407 VanDerWaalsContact OE2-CD1 3.25Å; E265-I407 WeakPolarHBondContact OE2-CD1 3.48Å |
| 266 | T | 86.5 | Confident | 90.5 | Very high | 20 Ų | 20 | 46 Ų | 46 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.5 | -40.8 | 176.7 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | K262 L263 H269 Q271 N274 I407 | K262-T266 WeakPolarHBondContact O-CG2 3.48Å; K262-T266 PolarHBondContact O-N 3.22Å; K262-T266 PolarHBondContact O-OG1 2.65Å; K262-T266 VanDerWaalsContact O-OG1 3.1Å; L263-T266 WeakPolarHBondContact CA-OG1 3.45Å; L263-T266 PolarHBondContact O-OG1 3.32Å; T266-H269 PolarHBondContact O-N 2.88Å; T266-Q271 WeakPolarHBondContact O-CB 3.35Å; T266-Q271 PolarHBondContact O-N 2.97Å; T266-N274 PolarHBondContact OG1-ND2 3.15Å; T266-I407 HydrophobicContact CG2-CD1 4.4Å; T266-I407 HydrophobicContact CG2-CG1 4.02Å; T266-I407 HydrophobicContact CG2-CG2 4.48Å |
| 267 | R | 87.5 | Confident | 90.6 | Very high | 36 Ų | 36 | 42 Ų | 42 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | 176.6 | -71.8 | -88.6 | 174.5 | 160.7 | 10.9 | 113.1 | Q216 R217 S218 L263 H264 E265 H269 G270 Q271 R272 N274 Y305 | Q216-R267 VanDerWaalsContact O-CZ 3.29Å; Q216-R267 PolarHBondContact O-NH1 2.8Å; Q216-R267 PolarHBondContact O-NH2 3.25Å; R217-R267 VanDerWaalsContact C-NH2 3.28Å; R217-R267 PolarHBondContact O-NH2 2.87Å; S218-R267 PolarHBondContact OG-NH2 2.86Å; L263-R267 WeakPolarHBondContact O-CB 3.31Å; L263-R267 WeakPolarHBondContact O-CG 3.44Å; L263-R267 PolarHBondContact O-N 2.89Å; H264-R267 WeakPolarHBondContact O-CB 3.33Å; H264-R267 PolarHBondContact O-N 2.85Å; E265-R267 VanDerWaalsContact C-N 3.25Å; E265-R267 PolarHBondContact O-N 3.03Å; R267-H269 PolarHBondContact O-N 3.43Å; R267-G270 PolarHBondContact O-N 3.38Å; R267-Q271 VanDerWaalsContact CD-O 3.25Å; R267-Q271 WeakPolarHBondContact CD-O 3.24Å; R267-R272 PolarHBondContact NH1-O 3.19Å; R267-R272 PolarHBondContact NH2-O 3.5Å; R267-N274 PolarHBondContact NE-OD1 3.49Å; R267-N274 PolarHBondContact NH2-OD1 2.91Å; R267-Y305 HydrophobicContact CB-CE2 4.49Å; R267-Y305 HydrophobicContact CG-CE2 3.68Å |
| 268 | L | 87.1 | Confident | 90.8 | Very high | 122 Ų | 122 | 38 Ų | 38 | 64% | 0.639 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -59.4 | -29.5 | 175.7 | -73.4 | 175.1 | 0 | 0 | 0 | 112.3 | H264 E265 G270 | H264-L268 WeakPolarHBondContact O-CG 3.14Å; H264-L268 PolarHBondContact O-N 2.93Å; E265-L268 WeakPolarHBondContact O-CB 3.36Å; E265-L268 PolarHBondContact O-N 3.29Å; E265-L268 VanDerWaalsContact O-N 3.16Å; L268-G270 VanDerWaalsContact C-N 3.27Å; L268-G270 PolarHBondContact O-N 3.13Å |
| 269 | H | 80.6 | Confident | 91 | Very high | 52 Ų | 52 | 35.1 Ų | 35.1 | 24% | 0.241 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 18.3 | 176.6 | -58.2 | 82.3 | 0 | 0 | 0 | 113.8 | E265 T266 R267 R408 H475 | E265-H269 PolarHBondContact O-N 3.26Å; E265-H269 PolarHBondContact O-ND1 3.31Å; T266-H269 PolarHBondContact O-N 2.88Å; R267-H269 PolarHBondContact O-N 3.43Å; H269-R408 PolarHBondContact CE1-NE 2.8Å; H269-R408 PolarHBondContact CE1-NH2 3.4Å; H269-R408 VanDerWaalsContact NE2-CZ 3.33Å; H269-R408 PolarHBondContact NE2-NE 2.82Å; H269-R408 PolarHBondContact NE2-NH2 2.85Å; H269-H475 WeakPolarHBondContact CB-NE2 3.41Å; H269-H475 AromaticContact CD2-CE1 3.89Å; H269-H475 AromaticContact CG-NE2 3.85Å; H269-H475 PolarHBondContact O-CD2 2.73Å |
| 270 | G | 81 | Confident | 91 | Very high | 58 Ų | 58 | 38.9 Ų | 38.9 | 60% | 0.598 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | 1.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R267 L268 R272 | R267-G270 PolarHBondContact O-N 3.38Å; L268-G270 VanDerWaalsContact C-N 3.27Å; L268-G270 PolarHBondContact O-N 3.13Å; G270-R272 PolarHBondContact O-N 3.34Å; G270-R272 VanDerWaalsContact O-N 3.14Å |
| 271 | Q | 83.3 | Confident | 91.1 | Very high | 31 Ų | 31 | 39 Ų | 39 | 15% | 0.145 | 20% | 0.201 | C | C | . | . | trans | -62.8 | 117.2 | 171.9 | -170.2 | 79.5 | -8.4 | 0 | 0 | 109.1 | T266 R267 V273 | T266-Q271 WeakPolarHBondContact O-CB 3.35Å; T266-Q271 PolarHBondContact O-N 2.97Å; R267-Q271 VanDerWaalsContact CD-O 3.25Å; R267-Q271 WeakPolarHBondContact CD-O 3.24Å; Q271-V273 WeakPolarHBondContact CG-O 3.35Å; Q271-V273 PolarHBondContact NE2-O 2.83Å | ||
| 272 | R | 85.6 | Confident | 91.3 | Very high | 111 Ų | 111 | 33.6 Ų | 33.6 | 42% | 0.419 | 18% | 0.175 | S | C | . | . | trans | -81.1 | -16.7 | -179.8 | -66.6 | 178.3 | 59.6 | 78.9 | -1 | 113.8 | Q213 Q216 R267 G270 | Q213-R272 PolarHBondContact O-NE 3.23Å; Q213-R272 VanDerWaalsContact O-NE 3.07Å; Q213-R272 PolarHBondContact O-NH2 2.88Å; Q216-R272 CarbonylContact C-O 3.6Å; Q216-R272 WeakPolarHBondContact CA-O 3.16Å; Q216-R272 VanDerWaalsContact CG-CZ 3.48Å; Q216-R272 VanDerWaalsContact CG-NH2 3.27Å; R267-R272 PolarHBondContact NH1-O 3.19Å; R267-R272 PolarHBondContact NH2-O 3.5Å; G270-R272 PolarHBondContact O-N 3.34Å; G270-R272 VanDerWaalsContact O-N 3.14Å | ||
| 273 | V | 89.9 | Confident | 91.5 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.024 | 18% | 0.177 | C | C | . | . | trans | -135.2 | 138.6 | -170.3 | 176.1 | 0 | 0 | 0 | 0 | 109.4 | A212 Q213 Q271 I275 | A212-V273 HydrophobicContact CB-CB 4.24Å; A212-V273 HydrophobicContact CB-CG1 3.47Å; A212-V273 VanDerWaalsContact CB-CG1 3.47Å; A212-V273 HydrophobicContact CB-CG2 3.7Å; A212-V273 WeakPolarHBondContact O-CG2 3.44Å; Q213-V273 HydrophobicContact CB-CG2 3.99Å; Q213-V273 HydrophobicContact CG-CG2 3.47Å; Q213-V273 VanDerWaalsContact CG-CG2 3.47Å; Q271-V273 WeakPolarHBondContact CG-O 3.35Å; Q271-V273 PolarHBondContact NE2-O 2.83Å; V273-I275 HydrophobicContact CG1-CD1 3.69Å; V273-I275 HydrophobicContact CG1-CG1 3.97Å | ||
| 274 | N | 92.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.5 | 164.5 | -57.6 | 114.6 | 0 | 0 | 0 | 110.5 | R217 S218 F219 D242 L263 T266 R267 I276 | R217-N274 PolarHBondContact O-N 3.49Å; S218-N274 CarbonylContact C-O 3.41Å; S218-N274 WeakPolarHBondContact CA-O 3.08Å; S218-N274 PolarHBondContact OG-OD1 3.01Å; F219-N274 PolarHBondContact N-O 2.72Å; D242-N274 PolarHBondContact OD1-ND2 2.9Å; D242-N274 WeakPolarHBondContact OD2-CA 3.47Å; L263-N274 HydrophobicContact CD2-CB 3.83Å; T266-N274 PolarHBondContact OG1-ND2 3.15Å; R267-N274 PolarHBondContact NE-OD1 3.49Å; R267-N274 PolarHBondContact NH2-OD1 2.91Å; N274-I276 HydrophobicContact CB-CD1 4.11Å |
| 275 | I | 94.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.1 | 172.1 | -57.2 | -57.9 | 0 | 0 | 0 | 108.2 | I205 V208 F219 A241 D242 V273 I277 | I205-I275 HydrophobicContact CG2-CG2 4.21Å; V208-I275 HydrophobicContact CG1-CD1 4.36Å; F219-I275 HydrophobicContact CB-CD1 4Å; A241-I275 HydrophobicContact CB-CG2 4.38Å; D242-I275 PolarHBondContact N-O 3.36Å; D242-I275 PolarHBondContact OD2-N 3.25Å; V273-I275 HydrophobicContact CG1-CD1 3.69Å; V273-I275 HydrophobicContact CG1-CG1 3.97Å; I275-I277 HydrophobicContact CG2-CG1 4.26Å |
| 276 | I | 97.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.7 | 174.2 | -57.3 | 87.1 | 0 | 0 | 0 | 107.3 | F219 V220 V221 F243 F245 L259 L263 N274 V295 I299 | F219-I276 PolarHBondContact O-N 3.1Å; V220-I276 CarbonylContact C-O 3.55Å; V220-I276 WeakPolarHBondContact CA-O 3.39Å; V220-I276 HydrophobicContact CG2-CB 4.38Å; V221-I276 PolarHBondContact N-O 2.78Å; F243-I276 HydrophobicContact CB-CG1 4.41Å; F243-I276 HydrophobicContact CB-CG2 4.26Å; F243-I276 CarbonylContact O-C 3.55Å; F243-I276 WeakPolarHBondContact O-CA 3.4Å; F245-I276 HydrophobicContact CD2-CG2 3.99Å; F245-I276 HydrophobicContact CE2-CG2 3.74Å; L259-I276 HydrophobicContact CD1-CG1 4.32Å; L263-I276 HydrophobicContact CD1-CD1 4.02Å; L263-I276 HydrophobicContact CD1-CG1 4.39Å; L263-I276 HydrophobicContact CD2-CD1 4.3Å; L263-I276 HydrophobicContact CD2-CG1 4.4Å; N274-I276 HydrophobicContact CB-CD1 4.11Å; I276-V295 HydrophobicContact CG2-CG1 4Å; I276-I299 HydrophobicContact CD1-CD1 3.86Å; I276-I299 HydrophobicContact CG1-CD1 4.35Å |
| 277 | I | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.2 | 176.5 | -61 | 179.3 | 0 | 0 | 0 | 108.8 | I205 V221 V223 A232 A235 A241 F243 T244 F245 I275 | I205-I277 HydrophobicContact CD1-CD1 3.67Å; I205-I277 HydrophobicContact CD1-CG1 4.27Å; V221-I277 WeakPolarHBondContact O-CA 3.45Å; V223-I277 HydrophobicContact CG1-CG2 3.92Å; V223-I277 HydrophobicContact CG2-CG2 3.71Å; A232-I277 HydrophobicContact CB-CG2 3.86Å; A235-I277 HydrophobicContact CB-CD1 3.86Å; A241-I277 HydrophobicContact CB-CD1 3.82Å; A241-I277 HydrophobicContact CB-CG1 3.94Å; F243-I277 PolarHBondContact O-N 3.26Å; T244-I277 CarbonylContact C-O 3.58Å; T244-I277 VanDerWaalsContact CA-O 3.25Å; T244-I277 WeakPolarHBondContact CA-O 3.24Å; T244-I277 HydrophobicContact CG2-CB 4.14Å; T244-I277 HydrophobicContact CG2-CG2 4.28Å; F245-I277 PolarHBondContact N-O 3.36Å; I275-I277 HydrophobicContact CG2-CG1 4.26Å |
| 278 | C | 98.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 117.1 | 176.8 | -164.3 | 0 | 0 | 0 | 0 | 109.3 | V220 V221 E222 V223 | V220-C278 HydrophobicContact CG1-CB 4.38Å; V221-C278 PolarHBondContact O-N 3.22Å; E222-C278 WeakPolarHBondContact CA-O 3.28Å; V223-C278 PolarHBondContact N-O 2.91Å |
| 279 | A | 98.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 143.2 | 168 | 0 | 0 | 0 | 0 | 0 | 109.9 | A232 F245 G281 A282 | A232-A279 HydrophobicContact CB-CB 3.89Å; F245-A279 WeakPolarHBondContact O-CB 3.17Å; F245-A279 PolarHBondContact O-N 2.94Å; A279-G281 PolarHBondContact O-N 2.59Å; A279-G281 VanDerWaalsContact O-N 3.13Å; A279-A282 WeakPolarHBondContact O-CB 3.39Å; A279-A282 PolarHBondContact O-N 2.85Å |
| 280 | E | 96.7 | Very high | 93.5 | Very high | 79 Ų | 79 | 31.8 Ų | 31.8 | 37% | 0.369 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.6 | 177.9 | 69.7 | -175.5 | 161.7 | 0 | 0 | 113 | V223 G225 R226 | V223-E280 PolarHBondContact O-N 2.97Å; G225-E280 PolarHBondContact N-OE1 2.86Å; R226-E280 VanDerWaalsContact CA-OE1 3.25Å; R226-E280 WeakPolarHBondContact CA-OE1 3.32Å; R226-E280 PolarHBondContact N-OE1 2.76Å |
| 281 | G | 96.2 | Very high | 94.2 | Very high | 15 Ų | 15 | 32 Ų | 32 | 16% | 0.155 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 10.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R226 P247 A279 | R226-G281 VanDerWaalsContact O-CA 3.22Å; R226-G281 WeakPolarHBondContact O-CA 3.49Å; R226-G281 PolarHBondContact O-N 3.05Å; P247-G281 WeakPolarHBondContact CB-O 3.47Å; A279-G281 PolarHBondContact O-N 2.59Å; A279-G281 VanDerWaalsContact O-N 3.13Å |
| 282 | A | 97.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | trans | -59.4 | 137.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F245 A279 I290 | F245-A282 HydrophobicContact CB-CB 3.81Å; A279-A282 WeakPolarHBondContact O-CB 3.39Å; A279-A282 PolarHBondContact O-N 2.85Å; A282-I290 HydrophobicContact CB-CB 4.27Å; A282-I290 PolarHBondContact O-N 3.46Å | ||
| 283 | V | 96.3 | Very high | 95.5 | Very high | 26 Ų | 26 | 30.8 Ų | 30.8 | 16% | 0.158 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -136.1 | 161.3 | 177.5 | -64 | 0 | 0 | 0 | 0 | 110.5 | P247 P250 P251 S288 W383 | P247-V283 HydrophobicContact CB-CG2 4.47Å; P250-V283 HydrophobicContact CB-CG2 4.4Å; P250-V283 WeakPolarHBondContact CB-O 3.4Å; P250-V283 HydrophobicContact CG-CG2 3.93Å; P251-V283 WeakPolarHBondContact CD-O 3.24Å; V283-S288 CarbonylContact C-O 3.35Å; V283-S288 WeakPolarHBondContact CA-O 3.43Å; V283-W383 HydrophobicContact CG2-CH2 4.07Å; V283-W383 HydrophobicContact CG2-CZ3 4.4Å |
| 284 | D | 94.8 | Very high | 95.8 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 9% | 0.086 | 20% | 0.201 | C | C | . | . | trans | -84.8 | 174.8 | 167 | 73.8 | 10.6 | 0 | 0 | 0 | 112 | P250 N286 G287 S288 I290 | P250-D284 WeakPolarHBondContact CB-O 3.48Å; D284-N286 PolarHBondContact O-N 2.64Å; D284-N286 VanDerWaalsContact OD1-CA 3.29Å; D284-N286 WeakPolarHBondContact OD1-CA 3.14Å; D284-N286 VanDerWaalsContact OD1-CB 3.31Å; D284-N286 WeakPolarHBondContact OD1-CB 3.21Å; D284-N286 PolarHBondContact OD1-N 3.34Å; D284-G287 PolarHBondContact O-N 3.28Å; D284-G287 PolarHBondContact OD1-N 2.87Å; D284-S288 PolarHBondContact N-O 2.82Å; D284-S288 WeakPolarHBondContact OD1-CB 3.46Å; D284-S288 PolarHBondContact OD1-N 2.93Å; D284-S288 PolarHBondContact OD1-OG 3.43Å; D284-S288 WeakPolarHBondContact OD2-CB 3.41Å; D284-S288 PolarHBondContact OD2-OG 3.22Å; D284-I290 HydrophobicContact CB-CD1 4.03Å; D284-I290 HydrophobicContact CB-CG1 4.3Å | ||
| 285 | C | 93 | Very high | 96 | Very high | 38 Ų | 38 | 33.8 Ų | 33.8 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.2 | 179.1 | 64.1 | 0 | 0 | 0 | 0 | 114.3 | P251 | P251-C285 WeakPolarHBondContact O-CB 3.41Å; P251-C285 PolarHBondContact O-N 2.83Å; P251-C285 VanDerWaalsContact O-N 3.11Å |
| 286 | N | 91.9 | Very high | 96.2 | Very high | 92 Ų | 92 | 37.2 Ų | 37.2 | 49% | 0.492 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -4.9 | 176.4 | -60.3 | -44 | 0 | 0 | 0 | 112.5 | D284 K381 | D284-N286 PolarHBondContact O-N 2.64Å; D284-N286 VanDerWaalsContact OD1-CA 3.29Å; D284-N286 WeakPolarHBondContact OD1-CA 3.14Å; D284-N286 VanDerWaalsContact OD1-CB 3.31Å; D284-N286 WeakPolarHBondContact OD1-CB 3.21Å; D284-N286 PolarHBondContact OD1-N 3.34Å; N286-K381 WeakPolarHBondContact O-CE 3.37Å; N286-K381 PolarHBondContact O-NZ 3.29Å |
| 287 | G | 90.7 | Very high | 96.2 | Very high | 33 Ų | 33 | 39.8 Ų | 39.8 | 34% | 0.34 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 85.3 | 10.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D284 | D284-G287 PolarHBondContact O-N 3.28Å; D284-G287 PolarHBondContact OD1-N 2.87Å |
| 288 | S | 94.3 | Very high | 96.1 | Very high | 56 Ų | 56 | 40.3 Ų | 40.3 | 39% | 0.392 | 23% | 0.23 | S | C | . | . | trans | -78.1 | 134.5 | 177.3 | -44 | 0 | 0 | 0 | 0 | 109.8 | V283 D284 I290 | V283-S288 CarbonylContact C-O 3.35Å; V283-S288 WeakPolarHBondContact CA-O 3.43Å; D284-S288 PolarHBondContact N-O 2.82Å; D284-S288 WeakPolarHBondContact OD1-CB 3.46Å; D284-S288 PolarHBondContact OD1-N 2.93Å; D284-S288 PolarHBondContact OD1-OG 3.43Å; D284-S288 WeakPolarHBondContact OD2-CB 3.41Å; D284-S288 PolarHBondContact OD2-OG 3.22Å; S288-I290 PolarHBondContact O-N 3.48Å | ||
| 289 | P | 96.1 | Very high | 96.1 | Very high | 91 Ų | 91 | 40.3 Ų | 40.3 | 59% | 0.591 | 23% | 0.229 | S | C | * | . | B | Isolated β-bridge | trans | -58.7 | 138.3 | 178.6 | -24.4 | 33.8 | 0 | 0 | 0 | 112.8 | ||
| 290 | I | 97.2 | Very high | 96 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | trans | -108 | 112.7 | 169.5 | -61 | 176.6 | 0 | 0 | 0 | 107.3 | F245 P251 W255 A282 D284 S288 V295 | F245-I290 HydrophobicContact CD1-CD1 3.75Å; F245-I290 HydrophobicContact CD1-CG2 4.12Å; F245-I290 HydrophobicContact CE1-CD1 4.01Å; F245-I290 HydrophobicContact CE1-CG2 4.29Å; F245-I290 HydrophobicContact CG-CG2 4.39Å; P251-I290 HydrophobicContact CG-CD1 3.66Å; W255-I290 HydrophobicContact CH2-CG2 4.07Å; W255-I290 HydrophobicContact CZ2-CG1 4.42Å; W255-I290 HydrophobicContact CZ2-CG2 4.09Å; A282-I290 HydrophobicContact CB-CB 4.27Å; A282-I290 PolarHBondContact O-N 3.46Å; D284-I290 HydrophobicContact CB-CD1 4.03Å; D284-I290 HydrophobicContact CB-CG1 4.3Å; S288-I290 PolarHBondContact O-N 3.48Å; I290-V295 HydrophobicContact CG2-CG2 3.73Å | ||
| 291 | T | 97.1 | Very high | 96 | Very high | 61 Ų | 61 | 46.1 Ų | 46.1 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | trans | -95.5 | 154.9 | 178.2 | 72.2 | 0 | 0 | 0 | 0 | 111.6 | E293 M294 V295 | T291-E293 PolarHBondContact O-N 2.79Å; T291-M294 HydrophobicContact CG2-SD 4.26Å; T291-M294 WeakPolarHBondContact O-CB 3.16Å; T291-M294 PolarHBondContact O-N 3.11Å; T291-M294 VanDerWaalsContact O-N 3.15Å; T291-M294 VanDerWaalsContact OG1-CG 3.29Å; T291-M294 WeakPolarHBondContact OG1-CG 3.24Å; T291-M294 PolarHBondContact OG1-N 2.93Å; T291-M294 VanDerWaalsContact OG1-N 3.13Å; T291-V295 WeakPolarHBondContact O-CG2 3.44Å; T291-V295 PolarHBondContact O-N 2.67Å; T291-V295 VanDerWaalsContact O-N 3.14Å | ||
| 292 | A | 97.1 | Very high | 96 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.8 | -31.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V220 E222 V295 R296 I309 | V220-A292 HydrophobicContact CG1-CB 3.74Å; E222-A292 HydrophobicContact CB-CB 4.31Å; A292-V295 PolarHBondContact O-N 3.41Å; A292-R296 WeakPolarHBondContact O-CB 2.97Å; A292-R296 PolarHBondContact O-N 2.6Å; A292-I309 HydrophobicContact CB-CG1 4.38Å; A292-I309 HydrophobicContact CB-CG2 3.93Å |
| 293 | E | 97.6 | Very high | 95.8 | Very high | 116 Ų | 116 | 52.7 Ų | 52.7 | 54% | 0.542 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 176.2 | -169.3 | 157.1 | -149.6 | 0 | 0 | 113 | T291 V295 R296 N297 I309 | T291-E293 PolarHBondContact O-N 2.79Å; E293-V295 VanDerWaalsContact C-N 3.34Å; E293-V295 PolarHBondContact O-N 2.81Å; E293-R296 PolarHBondContact O-N 3.36Å; E293-N297 WeakPolarHBondContact O-CB 3.49Å; E293-N297 PolarHBondContact O-N 3.05Å; E293-N297 PolarHBondContact O-ND2 3.17Å; E293-N297 PolarHBondContact O-OD1 3.1Å; E293-I309 HydrophobicContact CB-CD1 4.15Å |
| 294 | M | 97.1 | Very high | 95.7 | Very high | 67 Ų | 67 | 58.2 Ų | 58.2 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.9 | -48.2 | 173 | -71.1 | 168.2 | 68.3 | 0 | 0 | 111 | T291 R296 N297 I298 | T291-M294 HydrophobicContact CG2-SD 4.26Å; T291-M294 WeakPolarHBondContact O-CB 3.16Å; T291-M294 PolarHBondContact O-N 3.11Å; T291-M294 VanDerWaalsContact O-N 3.15Å; T291-M294 VanDerWaalsContact OG1-CG 3.29Å; T291-M294 WeakPolarHBondContact OG1-CG 3.24Å; T291-M294 PolarHBondContact OG1-N 2.93Å; T291-M294 VanDerWaalsContact OG1-N 3.13Å; M294-R296 PolarHBondContact O-N 3.11Å; M294-N297 PolarHBondContact O-N 3.25Å; M294-I298 VanDerWaalsContact O-CD1 3.26Å; M294-I298 WeakPolarHBondContact O-CD1 3.36Å; M294-I298 VanDerWaalsContact O-CG1 3.28Å; M294-I298 WeakPolarHBondContact O-CG1 3.44Å; M294-I298 PolarHBondContact O-N 2.85Å; M294-I298 VanDerWaalsContact O-N 3.11Å |
| 295 | V | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 179 | 176.6 | 0 | 0 | 0 | 0 | 111 | V220 F245 W255 L259 I276 I290 T291 A292 E293 I298 I299 | V220-V295 HydrophobicContact CG1-CB 4.2Å; V220-V295 HydrophobicContact CG1-CG1 4.09Å; V220-V295 HydrophobicContact CG2-CB 4.32Å; V220-V295 HydrophobicContact CG2-CG1 3.75Å; F245-V295 HydrophobicContact CD2-CG2 4.25Å; F245-V295 HydrophobicContact CE2-CG1 4.16Å; F245-V295 HydrophobicContact CE2-CG2 3.77Å; F245-V295 HydrophobicContact CZ-CG2 4.13Å; W255-V295 HydrophobicContact CH2-CG2 3.87Å; W255-V295 HydrophobicContact CZ3-CG2 4.01Å; L259-V295 HydrophobicContact CD2-CG1 3.88Å; I276-V295 HydrophobicContact CG2-CG1 4Å; I290-V295 HydrophobicContact CG2-CG2 3.73Å; T291-V295 WeakPolarHBondContact O-CG2 3.44Å; T291-V295 PolarHBondContact O-N 2.67Å; T291-V295 VanDerWaalsContact O-N 3.14Å; A292-V295 PolarHBondContact O-N 3.41Å; E293-V295 VanDerWaalsContact C-N 3.34Å; E293-V295 PolarHBondContact O-N 2.81Å; V295-I298 PolarHBondContact O-N 3.06Å; V295-I299 HydrophobicContact CG1-CD1 3.97Å; V295-I299 VanDerWaalsContact O-CG1 3.3Å; V295-I299 WeakPolarHBondContact O-CG1 3.25Å; V295-I299 PolarHBondContact O-N 3.44Å |
| 296 | R | 97.5 | Very high | 95.7 | Very high | 76 Ų | 76 | 60.9 Ų | 60.9 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.7 | -50.9 | 176.7 | 170.6 | -175.2 | 168.2 | -112.9 | -0.5 | 111.7 | V220 A292 E293 M294 I298 I299 I300 T307 I309 | V220-R296 HydrophobicContact CG2-CB 4.43Å; A292-R296 WeakPolarHBondContact O-CB 2.97Å; A292-R296 PolarHBondContact O-N 2.6Å; E293-R296 PolarHBondContact O-N 3.36Å; M294-R296 PolarHBondContact O-N 3.11Å; R296-I298 VanDerWaalsContact C-N 3.3Å; R296-I298 PolarHBondContact O-N 3.03Å; R296-I299 PolarHBondContact O-N 3.42Å; R296-I300 HydrophobicContact CG-CD1 3.71Å; R296-I300 HydrophobicContact CG-CG1 4.41Å; R296-I300 WeakPolarHBondContact O-CG1 3.45Å; R296-I300 PolarHBondContact O-N 3.13Å; R296-T307 HydrophobicContact CB-CG2 4.18Å; R296-T307 HydrophobicContact CG-CG2 3.96Å; R296-T307 PolarHBondContact NE-O 3.46Å; R296-I309 HydrophobicContact CB-CD1 3.81Å; R296-I309 HydrophobicContact CB-CG1 3.88Å; R296-I309 HydrophobicContact CG-CD1 4.29Å; R296-I309 HydrophobicContact CG-CG1 4.36Å |
| 297 | N | 97.5 | Very high | 95.9 | Very high | 54 Ų | 54 | 56.5 Ų | 56.5 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | -174 | -67.2 | -10.9 | 0 | 0 | 0 | 110.7 | E293 M294 I299 I300 E301 | E293-N297 WeakPolarHBondContact O-CB 3.49Å; E293-N297 PolarHBondContact O-N 3.05Å; E293-N297 PolarHBondContact O-ND2 3.17Å; E293-N297 PolarHBondContact O-OD1 3.1Å; M294-N297 PolarHBondContact O-N 3.25Å; N297-I299 PolarHBondContact O-N 3.25Å; N297-I300 PolarHBondContact O-N 2.77Å; N297-E301 WeakPolarHBondContact O-CB 3.07Å; N297-E301 VanDerWaalsContact O-CG 3.24Å; N297-E301 WeakPolarHBondContact O-CG 3.46Å; N297-E301 PolarHBondContact O-N 3.22Å |
| 298 | I | 96.7 | Very high | 96.2 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.062 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.6 | -44 | 175.9 | -69 | 157.8 | 0 | 0 | 0 | 111.9 | W255 R256 M294 V295 R296 R302 | W255-I298 HydrophobicContact CH2-CD1 3.2Å; W255-I298 HydrophobicContact CZ2-CD1 3.7Å; W255-I298 HydrophobicContact CZ3-CD1 3.8Å; R256-I298 HydrophobicContact CB-CD1 4.4Å; R256-I298 HydrophobicContact CB-CG2 4.13Å; R256-I298 HydrophobicContact CG-CD1 3.7Å; R256-I298 HydrophobicContact CG-CG1 4.46Å; M294-I298 VanDerWaalsContact O-CD1 3.26Å; M294-I298 WeakPolarHBondContact O-CD1 3.36Å; M294-I298 VanDerWaalsContact O-CG1 3.28Å; M294-I298 WeakPolarHBondContact O-CG1 3.44Å; M294-I298 PolarHBondContact O-N 2.85Å; M294-I298 VanDerWaalsContact O-N 3.11Å; V295-I298 PolarHBondContact O-N 3.06Å; R296-I298 VanDerWaalsContact C-N 3.3Å; R296-I298 PolarHBondContact O-N 3.03Å; I298-R302 WeakPolarHBondContact O-CB 3.38Å; I298-R302 PolarHBondContact O-N 3.2Å |
| 299 | I | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 179.5 | -64.1 | 167.5 | 0 | 0 | 0 | 110.6 | V220 L259 L263 I276 V295 R296 N297 L303 N304 Y305 T307 | V220-I299 HydrophobicContact CG2-CD1 4.3Å; L259-I299 HydrophobicContact CD2-CD1 4.26Å; L259-I299 HydrophobicContact CD2-CG1 4.11Å; L263-I299 HydrophobicContact CD1-CD1 3.62Å; L263-I299 HydrophobicContact CD1-CG1 3.77Å; L263-I299 HydrophobicContact CD1-CG2 4.37Å; I276-I299 HydrophobicContact CD1-CD1 3.86Å; I276-I299 HydrophobicContact CG1-CD1 4.35Å; V295-I299 HydrophobicContact CG1-CD1 3.97Å; V295-I299 VanDerWaalsContact O-CG1 3.3Å; V295-I299 WeakPolarHBondContact O-CG1 3.25Å; V295-I299 PolarHBondContact O-N 3.44Å; R296-I299 PolarHBondContact O-N 3.42Å; N297-I299 PolarHBondContact O-N 3.25Å; I299-L303 HydrophobicContact CG2-CD1 4.45Å; I299-L303 WeakPolarHBondContact O-CA 3.38Å; I299-L303 WeakPolarHBondContact O-CB 3.32Å; I299-L303 PolarHBondContact O-N 2.99Å; I299-N304 PolarHBondContact O-N 3.34Å; I299-Y305 HydrophobicContact CG2-CD2 4.31Å; I299-T307 HydrophobicContact CB-CG2 4.43Å; I299-T307 HydrophobicContact CD1-CG2 4.22Å; I299-T307 HydrophobicContact CG2-CG2 4.42Å; I299-T307 WeakPolarHBondContact CG2-OG1 3.36Å |
| 300 | I | 96.7 | Very high | 96.3 | Very high | 54 Ų | 54 | 57 Ų | 57 | 28% | 0.277 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66 | -51.1 | 178.2 | -67.4 | 173.3 | 0 | 0 | 0 | 110.4 | R296 N297 R302 N304 | R296-I300 HydrophobicContact CG-CD1 3.71Å; R296-I300 HydrophobicContact CG-CG1 4.41Å; R296-I300 WeakPolarHBondContact O-CG1 3.45Å; R296-I300 PolarHBondContact O-N 3.13Å; N297-I300 PolarHBondContact O-N 2.77Å; I300-R302 PolarHBondContact O-N 3.25Å; I300-N304 WeakPolarHBondContact O-CA 3.4Å; I300-N304 PolarHBondContact O-N 3.44Å |
| 301 | E | 96.3 | Very high | 96.3 | Very high | 149 Ų | 149 | 60.7 Ų | 60.7 | 70% | 0.696 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.9 | -40.5 | -174.9 | -72.1 | 167.4 | -164.1 | 0 | 0 | 112.7 | N297 | N297-E301 WeakPolarHBondContact O-CB 3.07Å; N297-E301 VanDerWaalsContact O-CG 3.24Å; N297-E301 WeakPolarHBondContact O-CG 3.46Å; N297-E301 PolarHBondContact O-N 3.22Å |
| 302 | R | 96.2 | Very high | 96.3 | Very high | 124 Ų | 124 | 58.6 Ų | 58.6 | 47% | 0.468 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -96.1 | -31.2 | -173.2 | -63.7 | -172.6 | 173.7 | -160.7 | -6.9 | 114.7 | D257 I298 I300 | D257-R302 IonicContact OD1-CZ 3.57Å; D257-R302 IonicContact OD1-NH1 3.27Å; D257-R302 PolarHBondContact OD1-NH1 3.31Å; D257-R302 IonicContact OD1-NH2 2.78Å; D257-R302 IonicContact OD2-NH1 3.66Å; I298-R302 WeakPolarHBondContact O-CB 3.38Å; I298-R302 PolarHBondContact O-N 3.2Å; I300-R302 PolarHBondContact O-N 3.25Å |
| 303 | L | 94.5 | Very high | 96.2 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 17% | 0.168 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -112.6 | -12.2 | -176.7 | -58.9 | -179.5 | 0 | 0 | 0 | 113.6 | C260 L263 H264 I299 Y305 | C260-L303 HydrophobicContact CB-CD1 4.27Å; C260-L303 HydrophobicContact CB-CD2 4.08Å; C260-L303 HydrophobicContact CB-CG 4.17Å; L263-L303 HydrophobicContact CB-CD1 3.78Å; L263-L303 HydrophobicContact CD1-CD1 4.41Å; H264-L303 HydrophobicContact CB-CD2 4.03Å; I299-L303 HydrophobicContact CG2-CD1 4.45Å; I299-L303 WeakPolarHBondContact O-CA 3.38Å; I299-L303 WeakPolarHBondContact O-CB 3.32Å; I299-L303 PolarHBondContact O-N 2.99Å; L303-Y305 HydrophobicContact CB-CD1 4.06Å; L303-Y305 HydrophobicContact CB-CD2 3.92Å; L303-Y305 HydrophobicContact CB-CE1 4.17Å; L303-Y305 HydrophobicContact CB-CE2 4.04Å; L303-Y305 HydrophobicContact CB-CG 3.93Å; L303-Y305 HydrophobicContact CD1-CD2 3.89Å; L303-Y305 HydrophobicContact CD1-CE2 3.69Å; L303-Y305 HydrophobicContact CG-CE2 4.45Å; L303-Y305 WeakPolarHBondContact O-CD1 3.23Å; L303-Y305 WeakPolarHBondContact O-CE1 3.42Å; L303-Y305 PolarHBondContact O-N 3.37Å |
| 304 | N | 93.9 | Very high | 96.1 | Very high | 143 Ų | 143 | 60.6 Ų | 60.6 | 77% | 0.765 | 30% | 0.295 | S | S | * | . | trans | 55.1 | 33 | -175.2 | -162.7 | 34.3 | 0 | 0 | 0 | 113.4 | I299 I300 | I299-N304 PolarHBondContact O-N 3.34Å; I300-N304 WeakPolarHBondContact O-CA 3.4Å; I300-N304 PolarHBondContact O-N 3.44Å | ||
| 305 | Y | 93.6 | Very high | 96 | Very high | 44 Ų | 44 | 61.3 Ų | 61.3 | 17% | 0.173 | 30% | 0.303 | C | S | . | . | trans | -88.4 | 135.7 | 176.6 | -66 | -10.2 | 0 | 0 | 0 | 110.9 | L263 H264 R267 I299 L303 T307 | L263-Y305 HydrophobicContact CB-CE2 4.5Å; H264-Y305 PolarHBondContact ND1-OH 3.1Å; R267-Y305 HydrophobicContact CB-CE2 4.49Å; R267-Y305 HydrophobicContact CG-CE2 3.68Å; I299-Y305 HydrophobicContact CG2-CD2 4.31Å; L303-Y305 HydrophobicContact CB-CD1 4.06Å; L303-Y305 HydrophobicContact CB-CD2 3.92Å; L303-Y305 HydrophobicContact CB-CE1 4.17Å; L303-Y305 HydrophobicContact CB-CE2 4.04Å; L303-Y305 HydrophobicContact CB-CG 3.93Å; L303-Y305 HydrophobicContact CD1-CD2 3.89Å; L303-Y305 HydrophobicContact CD1-CE2 3.69Å; L303-Y305 HydrophobicContact CG-CE2 4.45Å; L303-Y305 WeakPolarHBondContact O-CD1 3.23Å; L303-Y305 WeakPolarHBondContact O-CE1 3.42Å; L303-Y305 PolarHBondContact O-N 3.37Å; Y305-T307 PolarHBondContact O-N 3.31Å; Y305-T307 PolarHBondContact O-OG1 3.29Å | ||
| 306 | D | 94.2 | Very high | 96 | Very high | 65 Ų | 65 | 61.3 Ų | 61.3 | 35% | 0.348 | 30% | 0.303 | S | S | . | . | trans | -64.4 | 101.7 | 175.3 | -172.1 | 24.9 | 0 | 0 | 0 | 110.2 | R217 S218 R308 | R217-D306 WeakPolarHBondContact CA-O 3.48Å; R217-D306 HydrophobicContact CG-CB 4.09Å; R217-D306 IonicContact CZ-OD2 3.55Å; R217-D306 IonicContact NE-OD2 2.74Å; R217-D306 PolarHBondContact NE-OD2 2.88Å; R217-D306 IonicContact NH2-OD2 3.56Å; S218-D306 PolarHBondContact N-O 3.43Å; D306-R308 IonicContact OD1-CZ 2.72Å; D306-R308 IonicContact OD1-NH1 2.69Å; D306-R308 PolarHBondContact OD1-NH1 2.9Å; D306-R308 IonicContact OD1-NH2 2.91Å; D306-R308 PolarHBondContact OD1-NH2 3.28Å; D306-R308 IonicContact OD2-NH2 2.82Å; D306-R308 PolarHBondContact OD2-NH2 3.09Å | ||
| 307 | T | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.2 | -169.3 | -53 | 0 | 0 | 0 | 0 | 111.6 | S218 V220 R296 I299 Y305 | S218-T307 VanDerWaalsContact O-CA 3.26Å; S218-T307 WeakPolarHBondContact O-CA 3.21Å; V220-T307 HydrophobicContact CG2-CG2 3.98Å; R296-T307 HydrophobicContact CB-CG2 4.18Å; R296-T307 HydrophobicContact CG-CG2 3.96Å; R296-T307 PolarHBondContact NE-O 3.46Å; I299-T307 HydrophobicContact CB-CG2 4.43Å; I299-T307 HydrophobicContact CD1-CG2 4.22Å; I299-T307 HydrophobicContact CG2-CG2 4.42Å; I299-T307 WeakPolarHBondContact CG2-OG1 3.36Å; Y305-T307 PolarHBondContact O-N 3.31Å; Y305-T307 PolarHBondContact O-OG1 3.29Å |
| 308 | R | 96.2 | Very high | 95.6 | Very high | 96 Ų | 96 | 58.4 Ų | 58.4 | 36% | 0.362 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 150.4 | 178.4 | -65.2 | -67.5 | 174.8 | -79.1 | -10.8 | 110.9 | S218 F219 V220 D306 | S218-R308 PolarHBondContact O-N 2.66Å; F219-R308 CarbonylContact C-O 3.58Å; F219-R308 WeakPolarHBondContact CA-O 3.1Å; F219-R308 HydrophobicContact CD1-CB 3.85Å; F219-R308 HydrophobicContact CE1-CB 3.66Å; F219-R308 HydrophobicContact CE1-CG 4.33Å; F219-R308 HydrophobicContact CZ-CB 4.21Å; F219-R308 HydrophobicContact CZ-CG 4.45Å; V220-R308 PolarHBondContact N-O 3.24Å; D306-R308 IonicContact OD1-CZ 2.72Å; D306-R308 IonicContact OD1-NH1 2.69Å; D306-R308 PolarHBondContact OD1-NH1 2.9Å; D306-R308 IonicContact OD1-NH2 2.91Å; D306-R308 PolarHBondContact OD1-NH2 3.28Å; D306-R308 IonicContact OD2-NH2 2.82Å; D306-R308 PolarHBondContact OD2-NH2 3.09Å |
| 309 | I | 97 | Very high | 95.4 | Very high | 56 Ų | 56 | 59.2 Ų | 59.2 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 141.2 | 172.1 | -65.1 | 159.9 | 0 | 0 | 0 | 108.2 | V220 A292 E293 R296 V311 | V220-I309 HydrophobicContact CB-CG1 4.28Å; V220-I309 CarbonylContact O-C 3.54Å; V220-I309 VanDerWaalsContact O-CA 3.3Å; V220-I309 WeakPolarHBondContact O-CA 3.44Å; A292-I309 HydrophobicContact CB-CG1 4.38Å; A292-I309 HydrophobicContact CB-CG2 3.93Å; E293-I309 HydrophobicContact CB-CD1 4.15Å; R296-I309 HydrophobicContact CB-CD1 3.81Å; R296-I309 HydrophobicContact CB-CG1 3.88Å; R296-I309 HydrophobicContact CG-CD1 4.29Å; R296-I309 HydrophobicContact CG-CG1 4.36Å; I309-V311 HydrophobicContact CG2-CG2 3.85Å |
| 310 | T | 96.6 | Very high | 95.3 | Very high | 40 Ų | 40 | 64 Ų | 64 | 25% | 0.245 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 104.5 | 170.2 | -57.1 | 0 | 0 | 0 | 0 | 108.2 | V220 V221 E222 L312 | V220-T310 PolarHBondContact O-N 2.94Å; V221-T310 WeakPolarHBondContact CA-O 3.3Å; E222-T310 PolarHBondContact N-O 3.41Å; T310-L312 HydrophobicContact CG2-CD2 3.95Å |
| 311 | V | 97.2 | Very high | 95.4 | Very high | 83 Ų | 83 | 61.5 Ų | 61.5 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 109.3 | 172.5 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | E222 I309 G313 | E222-V311 HydrophobicContact CB-CB 4.38Å; E222-V311 HydrophobicContact CB-CG1 4.3Å; E222-V311 HydrophobicContact CB-CG2 4.05Å; I309-V311 HydrophobicContact CG2-CG2 3.85Å; V311-G313 VanDerWaalsContact C-N 3.32Å; V311-G313 PolarHBondContact O-N 3.34Å |
| 312 | L | 96.5 | Very high | 95.5 | Very high | 17 Ų | 17 | 54.6 Ų | 54.6 | 9% | 0.089 | 29% | 0.289 | C | S | . | . | trans | -67 | -38.1 | -177.7 | -60.2 | -173.8 | 0 | 0 | 0 | 111.3 | I201 A204 V221 E222 V223 T310 H314 V315 Q316 | I201-L312 HydrophobicContact CB-CD1 4.21Å; I201-L312 HydrophobicContact CG1-CD1 3.95Å; I201-L312 HydrophobicContact CG2-CD1 4.19Å; A204-L312 HydrophobicContact CB-CD1 4.16Å; A204-L312 HydrophobicContact CB-CD2 3.41Å; A204-L312 VanDerWaalsContact CB-CD2 3.41Å; A204-L312 HydrophobicContact CB-CG 4.45Å; V221-L312 HydrophobicContact CG1-CD1 4.02Å; V221-L312 HydrophobicContact CG1-CD2 4.18Å; V221-L312 HydrophobicContact CG1-CG 3.92Å; E222-L312 PolarHBondContact O-N 3.42Å; V223-L312 HydrophobicContact CG1-CD1 4.14Å; T310-L312 HydrophobicContact CG2-CD2 3.95Å; L312-H314 PolarHBondContact O-N 2.98Å; L312-V315 HydrophobicContact CB-CG2 3.97Å; L312-V315 WeakPolarHBondContact O-CG2 3.26Å; L312-Q316 HydrophobicContact CB-CG 3.99Å; L312-Q316 HydrophobicContact CD1-CG 4.26Å | ||
| 313 | G | 95 | Very high | 95.5 | Very high | 19 Ų | 19 | 48.8 Ų | 48.8 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | 56.6 | -138.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V311 V315 Q316 | V311-G313 VanDerWaalsContact C-N 3.32Å; V311-G313 PolarHBondContact O-N 3.34Å; G313-V315 PolarHBondContact O-N 3.31Å; G313-Q316 WeakPolarHBondContact O-CB 3.41Å; G313-Q316 WeakPolarHBondContact O-CG 3.32Å; G313-Q316 PolarHBondContact O-N 3.04Å; G313-Q316 PolarHBondContact O-NE2 3.25Å |
| 314 | H | 94.9 | Very high | 95.7 | Very high | 141 Ų | 141 | 49.3 Ų | 49.3 | 65% | 0.653 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -74.2 | -5.3 | -168.8 | -67.4 | 83.7 | 0 | 0 | 0 | 115.2 | L312 Q316 R317 G318 | L312-H314 PolarHBondContact O-N 2.98Å; H314-Q316 PolarHBondContact O-N 3.41Å; H314-Q316 VanDerWaalsContact O-N 3.07Å; H314-R317 PolarHBondContact O-N 2.95Å; H314-G318 PolarHBondContact O-N 3.38Å |
| 315 | V | 96 | Very high | 95.9 | Very high | 82 Ų | 82 | 42.5 Ų | 42.5 | 50% | 0.497 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -58.2 | -23 | 169.7 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | R200 L312 G313 | R200-V315 VanDerWaalsContact CG-O 3.26Å; R200-V315 WeakPolarHBondContact CG-O 3.42Å; L312-V315 HydrophobicContact CB-CG2 3.97Å; L312-V315 WeakPolarHBondContact O-CG2 3.26Å; G313-V315 PolarHBondContact O-N 3.31Å |
| 316 | Q | 97.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -72.6 | -21.8 | 175.4 | -62.5 | 170.9 | 92.6 | 0 | 0 | 113.8 | Q44 I181 A197 I201 M224 L312 G313 H314 | Q44-Q316 PolarHBondContact NE2-O 3.09Å; I181-Q316 HydrophobicContact CD1-CB 4.35Å; A197-Q316 WeakPolarHBondContact CB-O 3.35Å; I201-Q316 HydrophobicContact CG1-CG 3.96Å; M224-Q316 HydrophobicContact SD-CB 4.39Å; L312-Q316 HydrophobicContact CB-CG 3.99Å; L312-Q316 HydrophobicContact CD1-CG 4.26Å; G313-Q316 WeakPolarHBondContact O-CB 3.41Å; G313-Q316 WeakPolarHBondContact O-CG 3.32Å; G313-Q316 PolarHBondContact O-N 3.04Å; G313-Q316 PolarHBondContact O-NE2 3.25Å; H314-Q316 PolarHBondContact O-N 3.41Å; H314-Q316 VanDerWaalsContact O-N 3.07Å |
| 317 | R | 94.7 | Very high | 96.2 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 16% | 0.162 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -17.8 | 175.2 | -65.4 | -169.2 | -162.6 | -85.5 | -8.6 | 113.3 | Q44 I181 M224 H314 | Q44-R317 WeakPolarHBondContact CG-O 3.49Å; Q44-R317 PolarHBondContact NE2-O 2.97Å; Q44-R317 VanDerWaalsContact NE2-O 3.15Å; I181-R317 HydrophobicContact CD1-CG 3.84Å; M224-R317 HydrophobicContact SD-CG 4.33Å; H314-R317 PolarHBondContact O-N 2.95Å |
| 318 | G | 92.6 | Very high | 96.3 | Very high | 25 Ų | 25 | 38.6 Ų | 38.6 | 26% | 0.258 | 21% | 0.213 | S | C | . | . | trans | -93.8 | -179.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q44 H314 | Q44-G318 PolarHBondContact NE2-O 2.94Å; H314-G318 PolarHBondContact O-N 3.38Å | ||
| 319 | G | 91.9 | Very high | 96.4 | Very high | 30 Ų | 30 | 34 Ų | 34 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 91.6 | 159.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q44 S96 | Q44-G319 WeakPolarHBondContact CG-O 3.31Å; S96-G319 WeakPolarHBondContact CB-O 3.42Å; S96-G319 PolarHBondContact OG-N 3.42Å; S96-G319 PolarHBondContact OG-O 3.4Å; S96-G319 VanDerWaalsContact OG-O 3.07Å |
| 320 | N | 94.9 | Very high | 96.4 | Very high | 99 Ų | 99 | 31.3 Ų | 31.3 | 53% | 0.529 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -64.7 | 139.9 | 179.9 | -65.9 | -7.4 | 0 | 0 | 0 | 109.8 | Q94 T196 | Q94-N320 VanDerWaalsContact O-CG 3.3Å; Q94-N320 PolarHBondContact O-OD1 3.03Å; T196-N320 WeakPolarHBondContact CG2-O 3.42Å |
| 321 | P | 97.7 | Very high | 96.4 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 144 | 178.7 | 24.2 | -31.4 | 0 | 0 | 0 | 111.2 | Q44 I93 Q94 T196 D325 R326 | Q44-P321 HydrophobicContact CB-CB 3.99Å; I93-P321 WeakPolarHBondContact O-CG 3.5Å; Q94-P321 WeakPolarHBondContact O-CD 3.38Å; T196-P321 WeakPolarHBondContact OG1-CA 3.37Å; P321-D325 HydrophobicContact CB-CB 4.26Å; P321-R326 HydrophobicContact CB-CG 3.9Å; P321-R326 HydrophobicContact CG-CG 3.71Å; P321-R326 PolarHBondContact O-NE 2.85Å; P321-R326 PolarHBondContact O-NH2 2.74Å; P321-R326 VanDerWaalsContact O-NH2 3.1Å |
| 322 | S | 98.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.028 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 162.6 | 171.1 | 72.9 | 0 | 0 | 0 | 0 | 111.2 | D195 T196 F324 D325 R326 N568 | D195-S322 WeakPolarHBondContact OD2-CB 3.31Å; D195-S322 PolarHBondContact OD2-OG 3.36Å; T196-S322 PolarHBondContact OG1-N 3.47Å; S322-F324 PolarHBondContact O-N 2.83Å; S322-F324 PolarHBondContact OG-N 3.16Å; S322-D325 PolarHBondContact O-N 3.17Å; S322-D325 PolarHBondContact OG-N 3.24Å; S322-D325 VanDerWaalsContact OG-N 3.14Å; S322-R326 VanDerWaalsContact O-CG 3.27Å; S322-R326 WeakPolarHBondContact O-CG 3.42Å; S322-R326 PolarHBondContact O-N 2.77Å; S322-R326 VanDerWaalsContact O-N 3.08Å; S322-N568 WeakPolarHBondContact CA-OD1 3.47Å; S322-N568 WeakPolarHBondContact CB-OD1 3.34Å |
| 323 | A | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.9 | -39.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R326 L327 L567 N568 | A323-R326 PolarHBondContact O-N 3.11Å; A323-L327 WeakPolarHBondContact O-CB 3.48Å; A323-L327 VanDerWaalsContact O-CG 3.24Å; A323-L327 WeakPolarHBondContact O-CG 3.48Å; A323-L327 PolarHBondContact O-N 2.94Å; A323-L567 HydrophobicContact CB-CB 3.87Å; A323-N568 PolarHBondContact N-OD1 3.47Å |
| 324 | F | 97.3 | Very high | 96.5 | Very high | 43 Ų | 43 | 25 Ų | 25 | 19% | 0.189 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.3 | -51.1 | 177 | -178 | -89.7 | 0 | 0 | 0 | 112.1 | M190 D195 S322 R326 L327 L328 | M190-F324 HydrophobicContact CB-CE1 4.09Å; M190-F324 HydrophobicContact CB-CZ 4.2Å; M190-F324 HydrophobicContact CG-CE1 3.69Å; M190-F324 HydrophobicContact CG-CZ 4.24Å; D195-F324 HydrophobicContact CB-CB 4.35Å; D195-F324 HydrophobicContact CB-CD1 3.74Å; D195-F324 HydrophobicContact CB-CG 4.35Å; S322-F324 PolarHBondContact O-N 2.83Å; S322-F324 PolarHBondContact OG-N 3.16Å; F324-R326 VanDerWaalsContact C-N 3.3Å; F324-R326 PolarHBondContact O-N 3.38Å; F324-L327 PolarHBondContact O-N 2.91Å; F324-L327 VanDerWaalsContact O-N 3.16Å; F324-L328 HydrophobicContact CD1-CB 4.47Å; F324-L328 HydrophobicContact CE1-CB 4.19Å; F324-L328 HydrophobicContact CE1-CD2 3.79Å; F324-L328 HydrophobicContact CE1-CG 4.42Å; F324-L328 HydrophobicContact CZ-CD2 4.42Å; F324-L328 VanDerWaalsContact O-CB 3.3Å; F324-L328 WeakPolarHBondContact O-CB 3.41Å; F324-L328 PolarHBondContact O-N 3.16Å |
| 325 | D | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67 | -30.8 | -178.4 | -81.2 | -40.1 | 0 | 0 | 0 | 112.8 | G193 T196 P321 S322 G329 | G193-D325 WeakPolarHBondContact CA-OD2 3.5Å; G193-D325 PolarHBondContact N-OD1 3.43Å; G193-D325 PolarHBondContact N-OD2 3.29Å; T196-D325 VanDerWaalsContact CB-OD2 3.29Å; T196-D325 WeakPolarHBondContact CB-OD2 3.41Å; T196-D325 PolarHBondContact N-OD2 3.46Å; T196-D325 PolarHBondContact OG1-OD2 3.01Å; P321-D325 HydrophobicContact CB-CB 4.26Å; S322-D325 PolarHBondContact O-N 3.17Å; S322-D325 PolarHBondContact OG-N 3.24Å; S322-D325 VanDerWaalsContact OG-N 3.14Å; D325-G329 PolarHBondContact O-N 3.01Å |
| 326 | R | 98.2 | Very high | 96.7 | Very high | 9 Ų | 9 | 14.7 Ų | 14.7 | 3% | 0.034 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65 | -45.6 | 171.4 | -66.2 | 178.1 | -155.1 | -157.6 | -2.8 | 111.7 | I93 P321 S322 A323 F324 S330 D575 A608 | I93-R326 HydrophobicContact CG1-CB 4.29Å; I93-R326 HydrophobicContact CG1-CG 4.27Å; P321-R326 HydrophobicContact CB-CG 3.9Å; P321-R326 HydrophobicContact CG-CG 3.71Å; P321-R326 PolarHBondContact O-NE 2.85Å; P321-R326 PolarHBondContact O-NH2 2.74Å; P321-R326 VanDerWaalsContact O-NH2 3.1Å; S322-R326 VanDerWaalsContact O-CG 3.27Å; S322-R326 WeakPolarHBondContact O-CG 3.42Å; S322-R326 PolarHBondContact O-N 2.77Å; S322-R326 VanDerWaalsContact O-N 3.08Å; A323-R326 PolarHBondContact O-N 3.11Å; F324-R326 VanDerWaalsContact C-N 3.3Å; F324-R326 PolarHBondContact O-N 3.38Å; R326-S330 VanDerWaalsContact O-CB 3.28Å; R326-S330 WeakPolarHBondContact O-CB 3.41Å; R326-S330 PolarHBondContact O-N 3Å; R326-S330 PolarHBondContact O-OG 2.74Å; R326-D575 IonicContact CZ-OD2 3.82Å; R326-D575 IonicContact NH1-OD1 2.68Å; R326-D575 PolarHBondContact NH1-OD1 3.35Å; R326-D575 IonicContact NH1-OD2 3.33Å; R326-D575 PolarHBondContact NH1-OD2 3.06Å; R326-D575 IonicContact NH2-OD2 2.74Å; R326-D575 PolarHBondContact NH2-OD2 2.91Å; R326-A608 HydrophobicContact CB-CB 4.26Å; R326-A608 WeakPolarHBondContact CD-O 3.49Å |
| 327 | L | 97.3 | Very high | 96.7 | Very high | 16 Ų | 16 | 14.7 Ų | 14.7 | 8% | 0.084 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.2 | -47.4 | 177.6 | -71.7 | 169 | 0 | 0 | 0 | 110.9 | A323 F324 S330 R331 L604 L607 A608 | A323-L327 WeakPolarHBondContact O-CB 3.48Å; A323-L327 VanDerWaalsContact O-CG 3.24Å; A323-L327 WeakPolarHBondContact O-CG 3.48Å; A323-L327 PolarHBondContact O-N 2.94Å; F324-L327 PolarHBondContact O-N 2.91Å; F324-L327 VanDerWaalsContact O-N 3.16Å; L327-S330 PolarHBondContact O-N 3.15Å; L327-R331 WeakPolarHBondContact O-CB 3.47Å; L327-R331 WeakPolarHBondContact O-CD 3.43Å; L327-R331 WeakPolarHBondContact O-CG 3.3Å; L327-R331 PolarHBondContact O-N 3.44Å; L327-L604 HydrophobicContact CD1-CB 4.34Å; L327-L604 HydrophobicContact CD1-CD2 4.09Å; L327-L604 HydrophobicContact CD2-CD2 3.96Å; L327-L607 HydrophobicContact CD2-CB 3.88Å; L327-L607 HydrophobicContact CD2-CD2 3.73Å; L327-L607 HydrophobicContact CD2-CG 3.73Å; L327-A608 HydrophobicContact CD1-CB 4.41Å; L327-A608 HydrophobicContact CD2-CB 3.87Å; L327-A608 HydrophobicContact CG-CB 3.8Å |
| 328 | L | 97.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.3 | -52.9 | 179.7 | -174.9 | 66.7 | 0 | 0 | 0 | 110.5 | I192 F324 S330 R331 M332 I354 | I192-L328 HydrophobicContact CG1-CD2 3.85Å; I192-L328 HydrophobicContact CG1-CG 4.06Å; F324-L328 HydrophobicContact CD1-CB 4.47Å; F324-L328 HydrophobicContact CE1-CB 4.19Å; F324-L328 HydrophobicContact CE1-CD2 3.79Å; F324-L328 HydrophobicContact CE1-CG 4.42Å; F324-L328 HydrophobicContact CZ-CD2 4.42Å; F324-L328 VanDerWaalsContact O-CB 3.3Å; F324-L328 WeakPolarHBondContact O-CB 3.41Å; F324-L328 PolarHBondContact O-N 3.16Å; L328-S330 VanDerWaalsContact C-N 3.33Å; L328-S330 PolarHBondContact O-N 3.49Å; L328-R331 PolarHBondContact O-N 3.5Å; L328-M332 HydrophobicContact CD1-CE 3.52Å; L328-M332 HydrophobicContact CD1-CG 4.16Å; L328-M332 HydrophobicContact CD1-SD 3.8Å; L328-M332 HydrophobicContact CD2-CE 4.41Å; L328-M332 HydrophobicContact CD2-SD 4.31Å; L328-M332 HydrophobicContact CG-CE 4.05Å; L328-M332 HydrophobicContact CG-CG 4.39Å; L328-M332 HydrophobicContact CG-SD 3.74Å; L328-M332 VanDerWaalsContact O-CB 3.31Å; L328-M332 WeakPolarHBondContact O-CB 3.25Å; L328-M332 VanDerWaalsContact O-CG 3.28Å; L328-M332 WeakPolarHBondContact O-CG 3.33Å; L328-M332 PolarHBondContact O-N 3.25Å; L328-I354 HydrophobicContact CD1-CB 3.95Å; L328-I354 HydrophobicContact CD1-CD1 3.71Å; L328-I354 HydrophobicContact CD1-CG1 4.44Å; L328-I354 HydrophobicContact CD1-CG2 3.88Å |
| 329 | G | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -57.9 | -45.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A49 D325 R331 M332 G333 | A49-G329 VanDerWaalsContact CA-O 3.24Å; A49-G329 WeakPolarHBondContact CA-O 3.2Å; D325-G329 PolarHBondContact O-N 3.01Å; G329-R331 PolarHBondContact O-N 3.25Å; G329-M332 PolarHBondContact O-N 3.04Å; G329-G333 PolarHBondContact O-N 2.81Å |
| 330 | S | 97.2 | Very high | 97 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.8 | -42.2 | -179.7 | -60.9 | 0 | 0 | 0 | 0 | 113 | A52 R326 L327 L328 A334 | A52-S330 WeakPolarHBondContact CB-O 3.48Å; R326-S330 VanDerWaalsContact O-CB 3.28Å; R326-S330 WeakPolarHBondContact O-CB 3.41Å; R326-S330 PolarHBondContact O-N 3Å; R326-S330 PolarHBondContact O-OG 2.74Å; L327-S330 PolarHBondContact O-N 3.15Å; L328-S330 VanDerWaalsContact C-N 3.33Å; L328-S330 PolarHBondContact O-N 3.49Å; S330-A334 WeakPolarHBondContact O-CB 3.47Å; S330-A334 PolarHBondContact O-N 2.79Å |
| 331 | R | 97 | Very high | 96.9 | Very high | 17 Ų | 17 | 6.8 Ų | 6.8 | 6% | 0.064 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -69 | -49.1 | 179.3 | -68.9 | 167.7 | 69.7 | -170.1 | 1.8 | 111.1 | E20 L327 L328 G329 A334 E335 G357 V359 L767 L770 | E20-R331 VanDerWaalsContact CD-NH2 3.34Å; E20-R331 WeakPolarHBondContact OE1-CB 3.43Å; E20-R331 IonicContact OE1-CZ 3.13Å; E20-R331 IonicContact OE1-NE 2.84Å; E20-R331 PolarHBondContact OE1-NE 2.66Å; E20-R331 IonicContact OE1-NH2 3.11Å; E20-R331 PolarHBondContact OE1-NH2 2.66Å; E20-R331 VanDerWaalsContact OE1-NH2 3.13Å; E20-R331 IonicContact OE2-CZ 2.66Å; E20-R331 IonicContact OE2-NE 3.75Å; E20-R331 IonicContact OE2-NH2 3.36Å; E20-R331 PolarHBondContact OE2-NH2 2.73Å; L327-R331 WeakPolarHBondContact O-CB 3.47Å; L327-R331 WeakPolarHBondContact O-CD 3.43Å; L327-R331 WeakPolarHBondContact O-CG 3.3Å; L327-R331 PolarHBondContact O-N 3.44Å; L328-R331 PolarHBondContact O-N 3.5Å; G329-R331 PolarHBondContact O-N 3.25Å; R331-A334 PolarHBondContact O-N 3.03Å; R331-E335 PolarHBondContact O-N 3.3Å; R331-G357 PolarHBondContact NH1-O 2.88Å; R331-G357 PolarHBondContact NH2-O 3.3Å; R331-V359 HydrophobicContact CB-CG2 4Å; R331-L767 HydrophobicContact CG-CD2 4.38Å; R331-L770 HydrophobicContact CG-CD2 4.14Å |
| 332 | M | 97.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 8.5 Ų | 8.5 | 2% | 0.02 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65 | -41.5 | -179.8 | -71.4 | -177.7 | 158.8 | 0 | 0 | 112.5 | L177 I192 L328 G329 A334 E335 A336 I352 A353 I354 | L177-M332 HydrophobicContact CD2-CB 3.88Å; I192-M332 HydrophobicContact CD1-SD 3.88Å; I192-M332 HydrophobicContact CG1-SD 3.92Å; L328-M332 HydrophobicContact CD1-CE 3.52Å; L328-M332 HydrophobicContact CD1-CG 4.16Å; L328-M332 HydrophobicContact CD1-SD 3.8Å; L328-M332 HydrophobicContact CD2-CE 4.41Å; L328-M332 HydrophobicContact CD2-SD 4.31Å; L328-M332 HydrophobicContact CG-CE 4.05Å; L328-M332 HydrophobicContact CG-CG 4.39Å; L328-M332 HydrophobicContact CG-SD 3.74Å; L328-M332 VanDerWaalsContact O-CB 3.31Å; L328-M332 WeakPolarHBondContact O-CB 3.25Å; L328-M332 VanDerWaalsContact O-CG 3.28Å; L328-M332 WeakPolarHBondContact O-CG 3.33Å; L328-M332 PolarHBondContact O-N 3.25Å; G329-M332 PolarHBondContact O-N 3.04Å; M332-A334 PolarHBondContact O-N 3.44Å; M332-E335 PolarHBondContact O-N 2.95Å; M332-A336 WeakPolarHBondContact O-CB 3.47Å; M332-A336 PolarHBondContact O-N 2.96Å; M332-I352 HydrophobicContact CB-CB 4.48Å; M332-I352 HydrophobicContact CB-CG2 4.03Å; M332-I352 HydrophobicContact CG-CG2 3.94Å; M332-A353 VanDerWaalsContact CE-C 3.41Å; M332-I354 HydrophobicContact CE-CB 4Å; M332-I354 HydrophobicContact CE-CG2 4.16Å |
| 333 | G | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V53 G329 A336 V337 | V53-G333 WeakPolarHBondContact CG2-O 3.44Å; G329-G333 PolarHBondContact O-N 2.81Å; G333-A336 PolarHBondContact O-N 3.3Å; G333-V337 PolarHBondContact O-N 3.19Å |
| 334 | A | 96.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 13.2 Ų | 13.2 | 3% | 0.033 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -68.2 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A52 M56 S330 R331 M332 A336 V337 T338 L770 | A52-A334 HydrophobicContact CB-CB 4.49Å; M56-A334 HydrophobicContact CB-CB 4.32Å; M56-A334 HydrophobicContact CE-CB 3.95Å; M56-A334 HydrophobicContact CG-CB 4.35Å; S330-A334 WeakPolarHBondContact O-CB 3.47Å; S330-A334 PolarHBondContact O-N 2.79Å; R331-A334 PolarHBondContact O-N 3.03Å; M332-A334 PolarHBondContact O-N 3.44Å; A334-A336 VanDerWaalsContact C-N 3.29Å; A334-A336 PolarHBondContact O-N 2.82Å; A334-V337 PolarHBondContact O-N 2.83Å; A334-T338 PolarHBondContact O-N 3.47Å; A334-T338 PolarHBondContact O-OG1 3.32Å; A334-T338 VanDerWaalsContact O-OG1 3.08Å; A334-L770 HydrophobicContact CB-CD1 3.4Å; A334-L770 HydrophobicContact CB-CD2 4.43Å |
| 335 | E | 97.2 | Very high | 94.2 | Very high | 8 Ų | 8 | 14.5 Ų | 14.5 | 4% | 0.037 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65 | -34.4 | 175.3 | -175.6 | 63.5 | -155.9 | 0 | 0 | 111.6 | G18 R19 R331 M332 V337 T338 A339 I352 V359 R361 | G18-E335 VanDerWaalsContact CA-OE1 3.31Å; G18-E335 WeakPolarHBondContact CA-OE1 3.48Å; R19-E335 PolarHBondContact N-OE1 2.92Å; R19-E335 PolarHBondContact N-OE2 3.06Å; R331-E335 PolarHBondContact O-N 3.3Å; M332-E335 PolarHBondContact O-N 2.95Å; E335-V337 VanDerWaalsContact C-N 3.32Å; E335-V337 PolarHBondContact O-N 2.78Å; E335-T338 PolarHBondContact O-N 3.31Å; E335-A339 VanDerWaalsContact O-CB 3.29Å; E335-A339 WeakPolarHBondContact O-CB 3.36Å; E335-A339 PolarHBondContact O-N 3.15Å; E335-I352 HydrophobicContact CB-CG2 4Å; E335-I352 HydrophobicContact CG-CD1 3.99Å; E335-I352 HydrophobicContact CG-CG1 4.48Å; E335-I352 HydrophobicContact CG-CG2 3.97Å; E335-V359 HydrophobicContact CB-CG1 3.89Å; E335-V359 HydrophobicContact CG-CG1 3.73Å; E335-R361 IonicContact OE1-CZ 3.07Å; E335-R361 IonicContact OE1-NE 2.71Å; E335-R361 PolarHBondContact OE1-NE 3.35Å; E335-R361 IonicContact OE1-NH2 2.61Å; E335-R361 PolarHBondContact OE1-NH2 3.31Å |
| 336 | A | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V130 V175 L177 M332 G333 A334 A339 L340 I352 | V130-A336 HydrophobicContact CG1-CB 4.24Å; V130-A336 HydrophobicContact CG2-CB 4.4Å; V175-A336 HydrophobicContact CB-CB 4.4Å; V175-A336 HydrophobicContact CG1-CB 3.69Å; L177-A336 HydrophobicContact CD1-CB 4.37Å; L177-A336 HydrophobicContact CD2-CB 3.97Å; L177-A336 HydrophobicContact CG-CB 4.35Å; M332-A336 WeakPolarHBondContact O-CB 3.47Å; M332-A336 PolarHBondContact O-N 2.96Å; G333-A336 PolarHBondContact O-N 3.3Å; A334-A336 VanDerWaalsContact C-N 3.29Å; A334-A336 PolarHBondContact O-N 2.82Å; A336-A339 PolarHBondContact O-N 2.93Å; A336-L340 WeakPolarHBondContact O-CG 3.3Å; A336-L340 PolarHBondContact O-N 3.08Å; A336-I352 HydrophobicContact CB-CG1 4.02Å |
| 337 | V | 97 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.3 | -49.6 | 174.5 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | I34 V53 M56 M60 G333 A334 E335 A339 L340 M341 | I34-V337 HydrophobicContact CD1-CG1 3.92Å; I34-V337 HydrophobicContact CD1-CG2 4.35Å; V53-V337 HydrophobicContact CB-CG2 4.29Å; V53-V337 HydrophobicContact CG1-CG2 3.98Å; V53-V337 WeakPolarHBondContact O-CG2 3.38Å; M56-V337 HydrophobicContact CB-CB 4.15Å; M56-V337 HydrophobicContact CB-CG1 4.4Å; M56-V337 HydrophobicContact CB-CG2 4.08Å; M56-V337 HydrophobicContact CG-CB 3.78Å; M56-V337 HydrophobicContact CG-CG1 3.9Å; M56-V337 HydrophobicContact CG-CG2 4.28Å; M60-V337 HydrophobicContact SD-CG1 3.75Å; G333-V337 PolarHBondContact O-N 3.19Å; A334-V337 PolarHBondContact O-N 2.83Å; E335-V337 VanDerWaalsContact C-N 3.32Å; E335-V337 PolarHBondContact O-N 2.78Å; V337-A339 PolarHBondContact O-N 3.39Å; V337-L340 PolarHBondContact O-N 3.37Å; V337-L340 VanDerWaalsContact O-N 3.12Å; V337-M341 HydrophobicContact CG1-CG 4.48Å; V337-M341 WeakPolarHBondContact O-CG 3.31Å; V337-M341 PolarHBondContact O-N 3.35Å |
| 338 | T | 95 | Very high | 92 | Very high | 8 Ų | 8 | 25.6 Ų | 25.6 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.4 | -40.7 | 179 | -50.3 | 0 | 0 | 0 | 0 | 110.9 | R19 A334 E335 M341 D342 | R19-T338 HydrophobicContact CB-CG2 4.28Å; R19-T338 HydrophobicContact CG-CG2 4.42Å; A334-T338 PolarHBondContact O-N 3.47Å; A334-T338 PolarHBondContact O-OG1 3.32Å; A334-T338 VanDerWaalsContact O-OG1 3.08Å; E335-T338 PolarHBondContact O-N 3.31Å; T338-M341 PolarHBondContact O-N 2.77Å; T338-D342 WeakPolarHBondContact O-CB 3.46Å; T338-D342 PolarHBondContact O-N 2.76Å |
| 339 | A | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.6 | -46.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V175 E335 A336 V337 M341 D342 T343 I352 | V175-A339 HydrophobicContact CG2-CB 3.98Å; E335-A339 VanDerWaalsContact O-CB 3.29Å; E335-A339 WeakPolarHBondContact O-CB 3.36Å; E335-A339 PolarHBondContact O-N 3.15Å; A336-A339 PolarHBondContact O-N 2.93Å; V337-A339 PolarHBondContact O-N 3.39Å; A339-M341 VanDerWaalsContact C-N 3.3Å; A339-M341 PolarHBondContact O-N 2.85Å; A339-D342 PolarHBondContact O-N 2.95Å; A339-T343 WeakPolarHBondContact O-CB 3.31Å; A339-T343 PolarHBondContact O-N 2.78Å; A339-T343 PolarHBondContact O-OG1 3.3Å; A339-I352 HydrophobicContact CB-CD1 4Å |
| 340 | L | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.5 | -41.9 | 176.8 | -77.2 | 169.9 | 0 | 0 | 0 | 112.5 | I34 N128 V130 K173 V175 A336 V337 | I34-L340 HydrophobicContact CG2-CD1 4.2Å; N128-L340 HydrophobicContact CB-CD1 4.1Å; N128-L340 HydrophobicContact CB-CD2 4.17Å; V130-L340 HydrophobicContact CG2-CD1 3.41Å; V130-L340 VanDerWaalsContact CG2-CD1 3.41Å; K173-L340 HydrophobicContact CB-CD2 3.7Å; K173-L340 WeakPolarHBondContact CD-O 3.47Å; K173-L340 PolarHBondContact NZ-O 3.34Å; V175-L340 HydrophobicContact CB-CD2 4.26Å; V175-L340 HydrophobicContact CB-CG 4.15Å; V175-L340 HydrophobicContact CG2-CD2 3.67Å; V175-L340 HydrophobicContact CG2-CG 3.63Å; A336-L340 WeakPolarHBondContact O-CG 3.3Å; A336-L340 PolarHBondContact O-N 3.08Å; V337-L340 PolarHBondContact O-N 3.37Å; V337-L340 VanDerWaalsContact O-N 3.12Å |
| 341 | M | 93.3 | Very high | 91.5 | Very high | 23 Ų | 23 | 26.4 Ų | 26.4 | 11% | 0.113 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -73 | -37.2 | -177.8 | -59.6 | -54 | 103.9 | 0 | 0 | 112.1 | N29 D32 I34 M60 N128 V337 T338 A339 | N29-M341 HydrophobicContact CB-CG 4.35Å; N29-M341 HydrophobicContact CB-SD 3.81Å; N29-M341 PolarHBondContact ND2-SD 2.98Å; N29-M341 VanDerWaalsContact ND2-SD 3.43Å; D32-M341 HydrophobicContact CB-SD 4.06Å; I34-M341 HydrophobicContact CD1-CE 3.9Å; I34-M341 HydrophobicContact CG1-CE 4.02Å; M60-M341 HydrophobicContact CE-CB 4Å; M60-M341 HydrophobicContact CE-CG 3.81Å; M60-M341 HydrophobicContact SD-CG 4.31Å; N128-M341 HydrophobicContact CB-CE 4.41Å; V337-M341 HydrophobicContact CG1-CG 4.48Å; V337-M341 WeakPolarHBondContact O-CG 3.31Å; V337-M341 PolarHBondContact O-N 3.35Å; T338-M341 PolarHBondContact O-N 2.77Å; A339-M341 VanDerWaalsContact C-N 3.3Å; A339-M341 PolarHBondContact O-N 2.85Å |
| 342 | D | 89.4 | Confident | 91.5 | Very high | 40 Ų | 40 | 25.6 Ų | 25.6 | 21% | 0.214 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -78.6 | -18.5 | 179.8 | -72.1 | -30.6 | 0 | 0 | 0 | 114.5 | R19 T338 A339 R361 | R19-D342 IonicContact CZ-OD1 3.96Å; R19-D342 IonicContact CZ-OD2 3.5Å; R19-D342 IonicContact NE-OD2 3.74Å; R19-D342 PolarHBondContact NE-OD2 3.18Å; R19-D342 IonicContact NH1-OD1 3.47Å; R19-D342 PolarHBondContact NH1-OD1 2.72Å; R19-D342 IonicContact NH1-OD2 3.9Å; R19-D342 PolarHBondContact NH1-OD2 2.81Å; R19-D342 IonicContact NH2-OD1 3.26Å; R19-D342 IonicContact NH2-OD2 2.99Å; T338-D342 WeakPolarHBondContact O-CB 3.46Å; T338-D342 PolarHBondContact O-N 2.76Å; A339-D342 PolarHBondContact O-N 2.95Å; D342-R361 IonicContact OD2-CZ 3.77Å; D342-R361 IonicContact OD2-NH1 2.99Å; D342-R361 PolarHBondContact OD2-NH1 3.47Å; D342-R361 IonicContact OD2-NH2 3.98Å; D342-R361 PolarHBondContact OD2-NH2 3.46Å |
| 343 | T | 85.6 | Confident | 91.3 | Very high | 27 Ų | 27 | 25.4 Ų | 25.4 | 17% | 0.166 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -85 | 126.3 | -168.6 | -65.2 | 0 | 0 | 0 | 0 | 110.3 | K173 A339 A347 | K173-T343 WeakPolarHBondContact CE-O 3.38Å; K173-T343 PolarHBondContact NZ-O 3.03Å; A339-T343 WeakPolarHBondContact O-CB 3.31Å; A339-T343 PolarHBondContact O-N 2.78Å; A339-T343 PolarHBondContact O-OG1 3.3Å; T343-A347 HydrophobicContact CG2-CB 3.46Å; T343-A347 VanDerWaalsContact CG2-CB 3.46Å |
| 344 | P | 84.9 | Confident | 91.1 | Very high | 77 Ų | 77 | 25.8 Ų | 25.8 | 50% | 0.5 | 15% | 0.15 | S | C | . | . | trans | -59.3 | 152.5 | 173.6 | -21.7 | 31.6 | 0 | 0 | 0 | 111.7 | N346 A347 | P344-N346 PolarHBondContact O-N 2.8Å; P344-N346 VanDerWaalsContact O-N 3.08Å; P344-A347 HydrophobicContact CB-CB 4.44Å; P344-A347 WeakPolarHBondContact O-CB 3.24Å; P344-A347 PolarHBondContact O-N 2.77Å; P344-A347 VanDerWaalsContact O-N 3.12Å | ||
| 345 | P | 75.9 | Confident | 90.6 | Very high | 70 Ų | 70 | 27 Ų | 27 | 46% | 0.455 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -32.5 | -176.5 | -26.2 | 34.1 | 0 | 0 | 0 | 115 | ||
| 346 | N | 79 | Confident | 89.9 | Confident | 130 Ų | 130 | 27.7 Ų | 27.7 | 70% | 0.695 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 0.8 | -174.6 | -62.4 | -6.6 | 0 | 0 | 0 | 113.5 | N171 P344 | N171-N346 PolarHBondContact ND2-OD1 3.4Å; P344-N346 PolarHBondContact O-N 2.8Å; P344-N346 VanDerWaalsContact O-N 3.08Å |
| 347 | A | 82.9 | Confident | 89.3 | Confident | 33 Ų | 33 | 29.6 Ų | 29.6 | 27% | 0.273 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -68.5 | 154.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R145 T343 P344 | R145-A347 PolarHBondContact NH1-O 3.42Å; T343-A347 HydrophobicContact CG2-CB 3.46Å; T343-A347 VanDerWaalsContact CG2-CB 3.46Å; P344-A347 HydrophobicContact CB-CB 4.44Å; P344-A347 WeakPolarHBondContact O-CB 3.24Å; P344-A347 PolarHBondContact O-N 2.77Å; P344-A347 VanDerWaalsContact O-N 3.12Å |
| 348 | E | 85.4 | Confident | 88.8 | Confident | 95 Ų | 95 | 31.5 Ų | 31.5 | 44% | 0.444 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -63.7 | 143.1 | 174.4 | -168 | -174.8 | 163.7 | 0 | 0 | 110.5 | A365 | E348-A365 WeakPolarHBondContact OE1-CB 3.46Å; E348-A365 PolarHBondContact OE1-N 2.91Å |
| 349 | P | 90.4 | Very high | 88.8 | Confident | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 144.5 | 172.9 | -24.3 | 37.9 | 0 | 0 | 0 | 110.7 | R145 I174 L364 | R145-P349 VanDerWaalsContact NE-CG 3.33Å; I174-P349 HydrophobicContact CB-CB 4.49Å; P349-L364 HydrophobicContact CB-CB 4.03Å; P349-L364 HydrophobicContact CB-CD2 3.83Å; P349-L364 WeakPolarHBondContact O-CB 3.09Å; P349-L364 PolarHBondContact O-N 3.28Å |
| 350 | C | 93.9 | Very high | 88.7 | Confident | 14 Ų | 14 | 31.1 Ų | 31.1 | 10% | 0.095 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 154.8 | 174 | 68.5 | 0 | 0 | 0 | 0 | 111.3 | V175 G176 R361 V362 | V175-C350 WeakPolarHBondContact CA-O 3.16Å; G176-C350 PolarHBondContact N-O 3.31Å; C350-R361 HydrophobicContact CB-CB 4.26Å; C350-V362 CarbonylContact C-O 3.58Å; C350-V362 VanDerWaalsContact CA-O 3.22Å; C350-V362 WeakPolarHBondContact CA-O 3.43Å; C350-V362 WeakPolarHBondContact CB-O 3.48Å |
| 351 | V | 95.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.2 | 165.2 | 177.5 | 0 | 0 | 0 | 0 | 107.3 | L138 G176 V178 F185 V362 L364 | L138-V351 HydrophobicContact CD1-CG2 4.21Å; G176-V351 CarbonylContact O-C 3.47Å; G176-V351 VanDerWaalsContact O-CA 3.31Å; G176-V351 WeakPolarHBondContact O-CA 3.34Å; V178-V351 HydrophobicContact CG2-CG1 3.59Å; F185-V351 HydrophobicContact CE1-CG1 4.02Å; F185-V351 HydrophobicContact CE1-CG2 4.3Å; F185-V351 HydrophobicContact CZ-CG2 4.1Å; V351-V362 HydrophobicContact CB-CG2 4.28Å; V351-V362 PolarHBondContact N-O 3.38Å; V351-V362 WeakPolarHBondContact O-CG2 3.34Å; V351-V362 PolarHBondContact O-N 3.08Å; V351-L364 HydrophobicContact CG2-CB 4.02Å; V351-L364 HydrophobicContact CG2-CD1 3.35Å; V351-L364 HydrophobicContact CG2-CG 4.22Å |
| 352 | I | 96.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 121.3 | 169.3 | -48.1 | -52.8 | 0 | 0 | 0 | 107.8 | V175 G176 L177 M332 E335 A336 A339 V359 V360 R361 | V175-I352 HydrophobicContact CG1-CD1 3.77Å; V175-I352 HydrophobicContact CG1-CG1 3.58Å; G176-I352 PolarHBondContact O-N 2.98Å; L177-I352 HydrophobicContact CD2-CB 3.54Å; L177-I352 HydrophobicContact CD2-CG1 3.67Å; L177-I352 HydrophobicContact CD2-CG2 4.45Å; M332-I352 HydrophobicContact CB-CB 4.48Å; M332-I352 HydrophobicContact CB-CG2 4.03Å; M332-I352 HydrophobicContact CG-CG2 3.94Å; E335-I352 HydrophobicContact CB-CG2 4Å; E335-I352 HydrophobicContact CG-CD1 3.99Å; E335-I352 HydrophobicContact CG-CG1 4.48Å; E335-I352 HydrophobicContact CG-CG2 3.97Å; A336-I352 HydrophobicContact CB-CG1 4.02Å; A339-I352 HydrophobicContact CB-CD1 4Å; I352-V359 HydrophobicContact CG2-CG1 3.37Å; I352-V360 WeakPolarHBondContact CA-O 3.25Å; I352-R361 HydrophobicContact CD1-CG 3.95Å |
| 353 | A | 94.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 170.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G187 M332 V359 V360 V362 | G187-A353 WeakPolarHBondContact O-CB 3.38Å; M332-A353 VanDerWaalsContact CE-C 3.41Å; A353-V359 WeakPolarHBondContact O-CA 3.33Å; A353-V360 HydrophobicContact CB-CG2 3.95Å; A353-V360 PolarHBondContact N-O 3.01Å; A353-V360 PolarHBondContact O-N 3.16Å; A353-V362 HydrophobicContact CB-CG2 3.47Å; A353-V362 VanDerWaalsContact CB-CG2 3.47Å |
| 354 | I | 91.8 | Very high | 89.1 | Confident | 7 Ų | 7 | 29.6 Ų | 29.6 | 4% | 0.036 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.3 | 169.8 | -168.5 | 165.1 | 0 | 0 | 0 | 109.6 | T188 D189 M190 L328 M332 T358 | T188-I354 PolarHBondContact OG1-N 2.94Å; T188-I354 VanDerWaalsContact OG1-N 3.15Å; D189-I354 HydrophobicContact CB-CG2 4.44Å; D189-I354 WeakPolarHBondContact CB-O 3.27Å; D189-I354 PolarHBondContact N-O 2.85Å; M190-I354 HydrophobicContact CB-CG2 4.23Å; L328-I354 HydrophobicContact CD1-CB 3.95Å; L328-I354 HydrophobicContact CD1-CD1 3.71Å; L328-I354 HydrophobicContact CD1-CG1 4.44Å; L328-I354 HydrophobicContact CD1-CG2 3.88Å; M332-I354 HydrophobicContact CE-CB 4Å; M332-I354 HydrophobicContact CE-CG2 4.16Å; I354-T358 WeakPolarHBondContact CA-O 3.5Å |
| 355 | H | 88.1 | Confident | 89.2 | Confident | 31 Ų | 31 | 27.9 Ų | 27.9 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 119 | 171.7 | -68.8 | 161.8 | 0 | 0 | 0 | 109.7 | G187 D189 G357 T358 V360 | G187-H355 PolarHBondContact O-NE2 2.67Å; D189-H355 IonicContact OD1-CD2 3.7Å; D189-H355 VanDerWaalsContact OD2-CA 3.26Å; D189-H355 WeakPolarHBondContact OD2-CA 3.49Å; H355-G357 VanDerWaalsContact C-N 3.33Å; H355-G357 PolarHBondContact O-N 3.37Å; H355-T358 PolarHBondContact N-O 3.2Å; H355-T358 PolarHBondContact O-N 3.38Å; H355-V360 HydrophobicContact CB-CG1 4.46Å; H355-V360 HydrophobicContact CB-CG2 4.39Å |
| 356 | G | 81.7 | Confident | 89.8 | Confident | 22 Ų | 22 | 28 Ų | 28 | 23% | 0.227 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 52 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D189 T358 E737 | D189-G356 PolarHBondContact OD2-N 3.48Å; G356-T358 PolarHBondContact O-N 2.7Å; G356-E737 CarbonylContact C-O 3.53Å |
| 357 | G | 83.8 | Confident | 90.2 | Very high | 40 Ų | 40 | 22 Ų | 22 | 41% | 0.412 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | -3.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | R331 H355 | R331-G357 PolarHBondContact NH1-O 2.88Å; R331-G357 PolarHBondContact NH2-O 3.3Å; H355-G357 VanDerWaalsContact C-N 3.33Å; H355-G357 PolarHBondContact O-N 3.37Å |
| 358 | T | 88.2 | Confident | 90.4 | Very high | 39 Ų | 39 | 21.4 Ų | 21.4 | 24% | 0.239 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 137.8 | -178.6 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | L17 I354 H355 G356 | L17-T358 HydrophobicContact CD2-CG2 4.04Å; I354-T358 WeakPolarHBondContact CA-O 3.5Å; H355-T358 PolarHBondContact N-O 3.2Å; H355-T358 PolarHBondContact O-N 3.38Å; G356-T358 PolarHBondContact O-N 2.7Å |
| 359 | V | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 134.3 | 176.1 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | G18 E20 R331 E335 I352 A353 | G18-V359 WeakPolarHBondContact CA-O 3.46Å; G18-V359 PolarHBondContact N-O 3.49Å; E20-V359 HydrophobicContact CG-CB 4.2Å; E20-V359 HydrophobicContact CG-CG2 4.37Å; E20-V359 VanDerWaalsContact OE1-CG2 3.23Å; E20-V359 WeakPolarHBondContact OE1-CG2 3.32Å; R331-V359 HydrophobicContact CB-CG2 4Å; E335-V359 HydrophobicContact CB-CG1 3.89Å; E335-V359 HydrophobicContact CG-CG1 3.73Å; I352-V359 HydrophobicContact CG2-CG1 3.37Å; A353-V359 WeakPolarHBondContact O-CA 3.33Å |
| 360 | V | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 157.7 | 179.4 | -60.7 | 0 | 0 | 0 | 0 | 111 | L16 L17 I352 A353 H355 | L16-V360 CarbonylContact O-C 3.54Å; L16-V360 WeakPolarHBondContact O-CA 3.33Å; L16-V360 WeakPolarHBondContact O-CB 3.28Å; L17-V360 HydrophobicContact CD2-CG1 4.41Å; I352-V360 WeakPolarHBondContact CA-O 3.25Å; A353-V360 HydrophobicContact CB-CG2 3.95Å; A353-V360 PolarHBondContact N-O 3.01Å; A353-V360 PolarHBondContact O-N 3.16Å; H355-V360 HydrophobicContact CB-CG1 4.46Å; H355-V360 HydrophobicContact CB-CG2 4.39Å |
| 361 | R | 94.9 | Very high | 90.3 | Very high | 14 Ų | 14 | 26.8 Ų | 26.8 | 5% | 0.053 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.9 | 171.2 | -47.7 | -178.5 | -173 | 176.1 | 1.5 | 108.5 | S15 L16 E335 D342 C350 I352 | S15-R361 WeakPolarHBondContact CA-O 3.44Å; L16-R361 HydrophobicContact CB-CB 4.32Å; L16-R361 PolarHBondContact N-O 2.96Å; L16-R361 PolarHBondContact O-N 3.18Å; E335-R361 IonicContact OE1-CZ 3.07Å; E335-R361 IonicContact OE1-NE 2.71Å; E335-R361 PolarHBondContact OE1-NE 3.35Å; E335-R361 IonicContact OE1-NH2 2.61Å; E335-R361 PolarHBondContact OE1-NH2 3.31Å; D342-R361 IonicContact OD2-CZ 3.77Å; D342-R361 IonicContact OD2-NH1 2.99Å; D342-R361 PolarHBondContact OD2-NH1 3.47Å; D342-R361 IonicContact OD2-NH2 3.98Å; D342-R361 PolarHBondContact OD2-NH2 3.46Å; C350-R361 HydrophobicContact CB-CB 4.26Å; I352-R361 HydrophobicContact CD1-CG 3.95Å |
| 362 | V | 93.1 | Very high | 89.9 | Confident | 14 Ų | 14 | 30.5 Ų | 30.5 | 9% | 0.085 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 141.5 | 178.5 | -100.4 | 0 | 0 | 0 | 0 | 110.5 | C350 V351 A353 L364 | C350-V362 CarbonylContact C-O 3.58Å; C350-V362 VanDerWaalsContact CA-O 3.22Å; C350-V362 WeakPolarHBondContact CA-O 3.43Å; C350-V362 WeakPolarHBondContact CB-O 3.48Å; V351-V362 HydrophobicContact CB-CG2 4.28Å; V351-V362 PolarHBondContact N-O 3.38Å; V351-V362 WeakPolarHBondContact O-CG2 3.34Å; V351-V362 PolarHBondContact O-N 3.08Å; A353-V362 HydrophobicContact CB-CG2 3.47Å; A353-V362 VanDerWaalsContact CB-CG2 3.47Å; V362-L364 PolarHBondContact O-N 2.95Å |
| 363 | P | 92.7 | Very high | 89.8 | Confident | 30 Ų | 30 | 34.2 Ų | 34.2 | 20% | 0.195 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 129 | 175.9 | -23.1 | 33.6 | 0 | 0 | 0 | 111.9 | A365 K366 C367 | P363-A365 PolarHBondContact O-N 2.88Å; P363-K366 HydrophobicContact CB-CB 4.24Å; P363-K366 PolarHBondContact O-N 3.29Å; P363-C367 PolarHBondContact O-N 3.48Å |
| 364 | L | 90 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | -175.4 | 173.8 | 57.3 | 0 | 0 | 0 | 112 | L138 N142 F185 P349 V351 V362 K366 C367 V368 | L138-L364 HydrophobicContact CB-CD1 3.84Å; N142-L364 HydrophobicContact CB-CD2 3.71Å; N142-L364 HydrophobicContact CB-CG 4.37Å; F185-L364 HydrophobicContact CZ-CD1 4.46Å; P349-L364 HydrophobicContact CB-CB 4.03Å; P349-L364 HydrophobicContact CB-CD2 3.83Å; P349-L364 WeakPolarHBondContact O-CB 3.09Å; P349-L364 PolarHBondContact O-N 3.28Å; V351-L364 HydrophobicContact CG2-CB 4.02Å; V351-L364 HydrophobicContact CG2-CD1 3.35Å; V351-L364 HydrophobicContact CG2-CG 4.22Å; V362-L364 PolarHBondContact O-N 2.95Å; L364-K366 VanDerWaalsContact C-N 3.31Å; L364-K366 PolarHBondContact O-N 3.44Å; L364-C367 PolarHBondContact O-N 3.04Å; L364-V368 HydrophobicContact CD1-CG2 3.94Å; L364-V368 WeakPolarHBondContact O-CG2 3.47Å; L364-V368 PolarHBondContact O-N 3.3Å; L364-V368 VanDerWaalsContact O-N 3.09Å |
| 365 | A | 87.1 | Confident | 89.7 | Confident | 42 Ų | 42 | 38.8 Ų | 38.8 | 35% | 0.347 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.7 | -41.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E348 P363 C367 V368 E369 | E348-A365 WeakPolarHBondContact OE1-CB 3.46Å; E348-A365 PolarHBondContact OE1-N 2.91Å; P363-A365 PolarHBondContact O-N 2.88Å; A365-C367 PolarHBondContact O-N 3.45Å; A365-V368 PolarHBondContact O-N 3.32Å; A365-E369 WeakPolarHBondContact O-CB 3.34Å; A365-E369 PolarHBondContact O-N 3.38Å |
| 366 | K | 88.9 | Confident | 90.1 | Very high | 72 Ų | 72 | 43.3 Ų | 43.3 | 31% | 0.313 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.1 | -38 | 178.6 | -171.2 | 172.9 | -175 | 170.2 | 0 | 112.9 | G13 P363 L364 R370 | G13-K366 PolarHBondContact O-NZ 3.2Å; P363-K366 HydrophobicContact CB-CB 4.24Å; P363-K366 PolarHBondContact O-N 3.29Å; L364-K366 VanDerWaalsContact C-N 3.31Å; L364-K366 PolarHBondContact O-N 3.44Å; K366-R370 WeakPolarHBondContact O-CG 3.3Å; K366-R370 PolarHBondContact O-N 3.46Å; K366-R370 VanDerWaalsContact O-N 3.12Å |
| 367 | C | 88.6 | Confident | 90.7 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.7 | -44 | 175.8 | -74.4 | 0 | 0 | 0 | 0 | 112.1 | F185 C186 P363 L364 A365 R370 T371 | F185-C367 HydrophobicContact CD1-CB 4.44Å; F185-C367 HydrophobicContact CE1-CB 3.44Å; F185-C367 VanDerWaalsContact CE1-CB 3.44Å; F185-C367 HydrophobicContact CE2-CB 4.4Å; F185-C367 HydrophobicContact CZ-CB 3.41Å; F185-C367 VanDerWaalsContact CZ-CB 3.41Å; C186-C367 WeakPolarHBondContact O-CA 3.34Å; C186-C367 VanDerWaalsContact O-CB 3.23Å; C186-C367 WeakPolarHBondContact O-CB 3.35Å; C186-C367 PolarHBondContact O-SG 3.41Å; P363-C367 PolarHBondContact O-N 3.48Å; L364-C367 PolarHBondContact O-N 3.04Å; A365-C367 PolarHBondContact O-N 3.45Å; C367-R370 PolarHBondContact O-N 2.83Å; C367-T371 WeakPolarHBondContact O-CB 3.47Å; C367-T371 PolarHBondContact O-N 2.92Å; C367-T371 PolarHBondContact O-OG1 3.18Å |
| 368 | V | 85.4 | Confident | 91.2 | Very high | 20 Ų | 20 | 42 Ų | 42 | 12% | 0.121 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.3 | -44.1 | 177.2 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | T139 L364 A365 R370 T371 N372 | T139-V368 HydrophobicContact CG2-CG1 4.45Å; L364-V368 HydrophobicContact CD1-CG2 3.94Å; L364-V368 WeakPolarHBondContact O-CG2 3.47Å; L364-V368 PolarHBondContact O-N 3.3Å; L364-V368 VanDerWaalsContact O-N 3.09Å; A365-V368 PolarHBondContact O-N 3.32Å; V368-R370 PolarHBondContact O-N 2.93Å; V368-T371 PolarHBondContact O-N 3.23Å; V368-N372 PolarHBondContact O-N 3.1Å; V368-N372 PolarHBondContact O-ND2 2.73Å |
| 369 | E | 89.2 | Confident | 91.4 | Very high | 112 Ų | 112 | 44 Ų | 44 | 52% | 0.523 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.1 | -50.9 | 177 | -171.9 | -169.4 | 171.7 | 0 | 0 | 111.7 | A365 T371 N372 Q373 | A365-E369 WeakPolarHBondContact O-CB 3.34Å; A365-E369 PolarHBondContact O-N 3.38Å; E369-T371 VanDerWaalsContact C-N 3.31Å; E369-T371 PolarHBondContact O-N 2.8Å; E369-N372 PolarHBondContact O-N 2.72Å; E369-N372 VanDerWaalsContact O-N 3.15Å; E369-Q373 WeakPolarHBondContact O-CG 3.33Å; E369-Q373 PolarHBondContact O-N 3.36Å; E369-Q373 PolarHBondContact OE1-NE2 3.26Å |
| 370 | R | 89.6 | Confident | 91.6 | Very high | 111 Ų | 111 | 49.8 Ų | 49.8 | 42% | 0.419 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 177.4 | -74.6 | 177.5 | 173.3 | -171.5 | -4.5 | 112.6 | C186 K366 C367 V368 N372 Q373 V374 | C186-R370 HydrophobicContact CB-CB 3.6Å; K366-R370 WeakPolarHBondContact O-CG 3.3Å; K366-R370 PolarHBondContact O-N 3.46Å; K366-R370 VanDerWaalsContact O-N 3.12Å; C367-R370 PolarHBondContact O-N 2.83Å; V368-R370 PolarHBondContact O-N 2.93Å; R370-N372 VanDerWaalsContact C-N 3.3Å; R370-N372 PolarHBondContact O-N 2.97Å; R370-Q373 WeakPolarHBondContact O-CB 3.47Å; R370-Q373 PolarHBondContact O-N 3.19Å; R370-V374 PolarHBondContact O-N 3.44Å; R370-V374 VanDerWaalsContact O-N 3.14Å |
| 371 | T | 88.8 | Confident | 91.6 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 177.1 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | C186 C367 V368 E369 V374 K375 | C186-T371 WeakPolarHBondContact CB-OG1 3.33Å; C186-T371 PolarHBondContact N-OG1 3.44Å; C367-T371 WeakPolarHBondContact O-CB 3.47Å; C367-T371 PolarHBondContact O-N 2.92Å; C367-T371 PolarHBondContact O-OG1 3.18Å; V368-T371 PolarHBondContact O-N 3.23Å; E369-T371 VanDerWaalsContact C-N 3.31Å; E369-T371 PolarHBondContact O-N 2.8Å; T371-V374 PolarHBondContact O-N 3.36Å; T371-K375 PolarHBondContact O-N 3.25Å |
| 372 | N | 89 | Confident | 91.7 | Very high | 77 Ų | 77 | 57.3 Ų | 57.3 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.6 | -34.1 | 174.2 | -70.9 | -23.9 | 0 | 0 | 0 | 112.7 | V368 E369 R370 V374 K375 K376 | V368-N372 PolarHBondContact O-N 3.1Å; V368-N372 PolarHBondContact O-ND2 2.73Å; E369-N372 PolarHBondContact O-N 2.72Å; E369-N372 VanDerWaalsContact O-N 3.15Å; R370-N372 VanDerWaalsContact C-N 3.3Å; R370-N372 PolarHBondContact O-N 2.97Å; N372-V374 VanDerWaalsContact C-N 3.28Å; N372-V374 PolarHBondContact O-N 3.42Å; N372-K375 PolarHBondContact O-N 2.93Å; N372-K376 PolarHBondContact O-N 3.31Å |
| 373 | Q | 93.6 | Very high | 91.8 | Very high | 79 Ų | 79 | 59 Ų | 59 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.5 | -36.5 | 173.1 | -70.2 | 170.3 | -0.6 | 0 | 0 | 111.9 | E369 R370 K376 A377 L389 | E369-Q373 WeakPolarHBondContact O-CG 3.33Å; E369-Q373 PolarHBondContact O-N 3.36Å; E369-Q373 PolarHBondContact OE1-NE2 3.26Å; R370-Q373 WeakPolarHBondContact O-CB 3.47Å; R370-Q373 PolarHBondContact O-N 3.19Å; Q373-K376 PolarHBondContact O-N 3.48Å; Q373-A377 WeakPolarHBondContact O-CB 3.33Å; Q373-A377 PolarHBondContact O-N 2.9Å; Q373-L389 HydrophobicContact CB-CD1 3.8Å |
| 374 | V | 92.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.4 | -49 | 172.8 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | R370 T371 N372 K376 A377 M378 L389 | R370-V374 PolarHBondContact O-N 3.44Å; R370-V374 VanDerWaalsContact O-N 3.14Å; T371-V374 PolarHBondContact O-N 3.36Å; N372-V374 VanDerWaalsContact C-N 3.28Å; N372-V374 PolarHBondContact O-N 3.42Å; V374-K376 PolarHBondContact O-N 3.1Å; V374-A377 PolarHBondContact O-N 3.42Å; V374-M378 HydrophobicContact CG1-CG 4.3Å; V374-M378 HydrophobicContact CG1-SD 3.91Å; V374-M378 WeakPolarHBondContact O-CG 3.27Å; V374-M378 PolarHBondContact O-N 2.87Å; V374-L389 HydrophobicContact CG2-CB 3.46Å; V374-L389 VanDerWaalsContact CG2-CB 3.46Å; V374-L389 HydrophobicContact CG2-CD1 3.98Å; V374-L389 HydrophobicContact CG2-CG 4.35Å |
| 375 | K | 91.8 | Very high | 92.1 | Very high | 100 Ų | 100 | 66.2 Ų | 66.2 | 44% | 0.435 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.5 | -42.3 | 178.5 | -66 | 175.1 | -176.1 | 170.7 | 0 | 111.1 | D135 T371 N372 A379 | D135-K375 IonicContact OD2-NZ 3.98Å; D135-K375 PolarHBondContact OD2-NZ 3.27Å; T371-K375 PolarHBondContact O-N 3.25Å; N372-K375 PolarHBondContact O-N 2.93Å; K375-A379 WeakPolarHBondContact O-CB 3.36Å; K375-A379 PolarHBondContact O-N 2.86Å; K375-A379 VanDerWaalsContact O-N 3.08Å |
| 376 | K | 95.7 | Very high | 92.5 | Very high | 126 Ų | 126 | 64.2 Ų | 64.2 | 55% | 0.548 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.3 | -51.6 | 175.9 | -176.6 | 179.8 | 176.2 | -176 | 0 | 112 | N372 Q373 V374 M378 A379 E380 | N372-K376 PolarHBondContact O-N 3.31Å; Q373-K376 PolarHBondContact O-N 3.48Å; V374-K376 PolarHBondContact O-N 3.1Å; K376-M378 VanDerWaalsContact C-N 3.29Å; K376-M378 PolarHBondContact O-N 3.41Å; K376-A379 PolarHBondContact O-N 3.37Å; K376-A379 VanDerWaalsContact O-N 3.1Å; K376-E380 VanDerWaalsContact CE-CD 3.43Å; K376-E380 WeakPolarHBondContact CE-OE1 3.36Å; K376-E380 WeakPolarHBondContact CE-OE2 3.45Å; K376-E380 HydrophobicContact CG-CG 4.45Å; K376-E380 IonicContact NZ-OE1 3.75Å; K376-E380 WeakPolarHBondContact O-CG 3.38Å; K376-E380 PolarHBondContact O-N 3.24Å |
| 377 | A | 95.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.2 | -41.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q373 V374 E380 K381 D382 T385 A386 | Q373-A377 WeakPolarHBondContact O-CB 3.33Å; Q373-A377 PolarHBondContact O-N 2.9Å; V374-A377 PolarHBondContact O-N 3.42Å; A377-E380 PolarHBondContact O-N 2.99Å; A377-K381 PolarHBondContact O-N 3.21Å; A377-K381 VanDerWaalsContact O-N 3.09Å; A377-D382 HydrophobicContact CB-CB 4.43Å; A377-D382 PolarHBondContact O-N 3.42Å; A377-T385 HydrophobicContact CB-CG2 4.01Å; A377-A386 HydrophobicContact CB-CB 4.19Å |
| 378 | M | 93.5 | Very high | 93 | Very high | 29 Ų | 29 | 68.3 Ų | 68.3 | 14% | 0.143 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 175.3 | -67.6 | -179.3 | 69 | 0 | 0 | 112.7 | H227 P247 V374 K376 E380 K381 W383 A386 | H227-M378 HydrophobicContact CB-CE 4.29Å; H227-M378 WeakPolarHBondContact O-CE 3.45Å; P247-M378 HydrophobicContact CB-CE 3.61Å; P247-M378 HydrophobicContact CG-CE 4.14Å; V374-M378 HydrophobicContact CG1-CG 4.3Å; V374-M378 HydrophobicContact CG1-SD 3.91Å; V374-M378 WeakPolarHBondContact O-CG 3.27Å; V374-M378 PolarHBondContact O-N 2.87Å; K376-M378 VanDerWaalsContact C-N 3.29Å; K376-M378 PolarHBondContact O-N 3.41Å; M378-E380 VanDerWaalsContact C-N 3.34Å; M378-K381 PolarHBondContact O-N 3.09Å; M378-W383 HydrophobicContact CB-CZ3 4.5Å; M378-A386 HydrophobicContact CG-CB 3.9Å |
| 379 | A | 93.2 | Very high | 93.3 | Very high | 81 Ų | 81 | 69.3 Ų | 69.3 | 67% | 0.669 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.6 | -35.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K375 K376 K381 | K375-A379 WeakPolarHBondContact O-CB 3.36Å; K375-A379 PolarHBondContact O-N 2.86Å; K375-A379 VanDerWaalsContact O-N 3.08Å; K376-A379 PolarHBondContact O-N 3.37Å; K376-A379 VanDerWaalsContact O-N 3.1Å; A379-K381 VanDerWaalsContact C-N 3.25Å; A379-K381 PolarHBondContact O-N 3.46Å |
| 380 | E | 96 | Very high | 93.4 | Very high | 122 Ų | 122 | 66.1 Ų | 66.1 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -1.2 | 176.9 | -68.3 | 174.9 | 168.3 | 0 | 0 | 113.1 | K376 A377 M378 D382 | K376-E380 VanDerWaalsContact CE-CD 3.43Å; K376-E380 WeakPolarHBondContact CE-OE1 3.36Å; K376-E380 WeakPolarHBondContact CE-OE2 3.45Å; K376-E380 HydrophobicContact CG-CG 4.45Å; K376-E380 IonicContact NZ-OE1 3.75Å; K376-E380 WeakPolarHBondContact O-CG 3.38Å; K376-E380 PolarHBondContact O-N 3.24Å; A377-E380 PolarHBondContact O-N 2.99Å; M378-E380 VanDerWaalsContact C-N 3.34Å; E380-D382 PolarHBondContact O-N 2.98Å |
| 381 | K | 95 | Very high | 93.3 | Very high | 108 Ų | 108 | 62 Ų | 62 | 47% | 0.47 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 24.2 | -176.9 | -47.2 | 178.3 | -165.8 | -178.1 | 0 | 113.6 | N286 A377 M378 A379 W383 | N286-K381 WeakPolarHBondContact O-CE 3.37Å; N286-K381 PolarHBondContact O-NZ 3.29Å; A377-K381 PolarHBondContact O-N 3.21Å; A377-K381 VanDerWaalsContact O-N 3.09Å; M378-K381 PolarHBondContact O-N 3.09Å; A379-K381 VanDerWaalsContact C-N 3.25Å; A379-K381 PolarHBondContact O-N 3.46Å; K381-W383 VanDerWaalsContact C-N 3.31Å; K381-W383 HydrophobicContact CB-CH2 4.25Å; K381-W383 HydrophobicContact CB-CZ2 3.57Å; K381-W383 HydrophobicContact CG-CH2 4.24Å; K381-W383 HydrophobicContact CG-CZ2 3.8Å; K381-W383 PolarHBondContact O-N 3.4Å; K381-W383 VanDerWaalsContact O-N 3.13Å; K381-W383 PolarHBondContact O-NE1 3.48Å |
| 382 | D | 95.9 | Very high | 93.1 | Very high | 64 Ų | 64 | 69.6 Ų | 69.6 | 34% | 0.342 | 34% | 0.338 | S | S | . | . | trans | -83.7 | 77.2 | 169.5 | -176.7 | -2.6 | 0 | 0 | 0 | 109.8 | A377 E380 E384 T385 A386 | A377-D382 HydrophobicContact CB-CB 4.43Å; A377-D382 PolarHBondContact O-N 3.42Å; E380-D382 PolarHBondContact O-N 2.98Å; D382-E384 VanDerWaalsContact C-N 3.32Å; D382-E384 PolarHBondContact O-N 3.49Å; D382-T385 VanDerWaalsContact CG-OG1 3.26Å; D382-T385 PolarHBondContact O-N 3.22Å; D382-T385 WeakPolarHBondContact OD1-CB 3.42Å; D382-T385 PolarHBondContact OD1-N 2.97Å; D382-T385 PolarHBondContact OD1-OG1 3.36Å; D382-T385 WeakPolarHBondContact OD2-CB 3.45Å; D382-T385 PolarHBondContact OD2-OG1 3.04Å; D382-A386 PolarHBondContact O-N 2.78Å | ||
| 383 | W | 94.5 | Very high | 92.8 | Very high | 49 Ų | 49 | 68.1 Ų | 68.1 | 19% | 0.186 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.4 | -34.8 | -176.3 | -47.5 | 120.6 | 0 | 0 | 0 | 112.7 | P250 V283 M378 K381 A386 V387 | P250-W383 HydrophobicContact CG-CD2 3.6Å; P250-W383 HydrophobicContact CG-CE3 3.68Å; P250-W383 HydrophobicContact CG-CG 4.23Å; P250-W383 HydrophobicContact CG-CH2 3.95Å; P250-W383 HydrophobicContact CG-CZ2 3.86Å; P250-W383 HydrophobicContact CG-CZ3 3.86Å; V283-W383 HydrophobicContact CG2-CH2 4.07Å; V283-W383 HydrophobicContact CG2-CZ3 4.4Å; M378-W383 HydrophobicContact CB-CZ3 4.5Å; K381-W383 VanDerWaalsContact C-N 3.31Å; K381-W383 HydrophobicContact CB-CH2 4.25Å; K381-W383 HydrophobicContact CB-CZ2 3.57Å; K381-W383 HydrophobicContact CG-CH2 4.24Å; K381-W383 HydrophobicContact CG-CZ2 3.8Å; K381-W383 PolarHBondContact O-N 3.4Å; K381-W383 VanDerWaalsContact O-N 3.13Å; K381-W383 PolarHBondContact O-NE1 3.48Å; W383-A386 PolarHBondContact O-N 3.01Å; W383-V387 WeakPolarHBondContact O-CG2 3.21Å; W383-V387 PolarHBondContact O-N 3.12Å |
| 384 | E | 94.5 | Very high | 92.7 | Very high | 156 Ų | 156 | 64.7 Ų | 64.7 | 73% | 0.729 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66.3 | -46 | -179.7 | -171.6 | 179.7 | 171.1 | 0 | 0 | 111 | D382 A386 V387 R388 | D382-E384 VanDerWaalsContact C-N 3.32Å; D382-E384 PolarHBondContact O-N 3.49Å; E384-A386 VanDerWaalsContact C-N 3.34Å; E384-A386 PolarHBondContact O-N 2.79Å; E384-V387 PolarHBondContact O-N 2.94Å; E384-R388 WeakPolarHBondContact O-CB 3.36Å; E384-R388 PolarHBondContact O-N 2.91Å |
| 385 | T | 95.4 | Very high | 92.7 | Very high | 26 Ų | 26 | 66.8 Ų | 66.8 | 16% | 0.16 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 174 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | A377 D382 V387 R388 L389 | A377-T385 HydrophobicContact CB-CG2 4.01Å; D382-T385 VanDerWaalsContact CG-OG1 3.26Å; D382-T385 PolarHBondContact O-N 3.22Å; D382-T385 WeakPolarHBondContact OD1-CB 3.42Å; D382-T385 PolarHBondContact OD1-N 2.97Å; D382-T385 PolarHBondContact OD1-OG1 3.36Å; D382-T385 WeakPolarHBondContact OD2-CB 3.45Å; D382-T385 PolarHBondContact OD2-OG1 3.04Å; T385-V387 PolarHBondContact O-N 3.46Å; T385-R388 PolarHBondContact O-N 3.06Å; T385-R388 PolarHBondContact OG1-NH2 2.78Å; T385-L389 HydrophobicContact CG2-CD1 3.67Å; T385-L389 HydrophobicContact CG2-CG 4.06Å; T385-L389 WeakPolarHBondContact O-CB 3.4Å; T385-L389 VanDerWaalsContact O-CG 3.25Å; T385-L389 WeakPolarHBondContact O-CG 3.35Å; T385-L389 PolarHBondContact O-N 2.91Å |
| 386 | A | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A377 M378 D382 W383 E384 R388 L389 R390 | A377-A386 HydrophobicContact CB-CB 4.19Å; M378-A386 HydrophobicContact CG-CB 3.9Å; D382-A386 PolarHBondContact O-N 2.78Å; W383-A386 PolarHBondContact O-N 3.01Å; E384-A386 VanDerWaalsContact C-N 3.34Å; E384-A386 PolarHBondContact O-N 2.79Å; A386-R388 PolarHBondContact O-N 2.67Å; A386-L389 PolarHBondContact O-N 3.15Å; A386-R390 WeakPolarHBondContact O-CG 3.36Å; A386-R390 PolarHBondContact O-N 3.16Å |
| 387 | V | 94.7 | Very high | 92.2 | Very high | 20 Ų | 20 | 59.2 Ų | 59.2 | 12% | 0.121 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 175.6 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | E248 W383 E384 T385 L389 R390 F394 I395 L398 | E248-V387 HydrophobicContact CB-CG2 3.85Å; E248-V387 WeakPolarHBondContact O-CG2 3.27Å; W383-V387 WeakPolarHBondContact O-CG2 3.21Å; W383-V387 PolarHBondContact O-N 3.12Å; E384-V387 PolarHBondContact O-N 2.94Å; T385-V387 PolarHBondContact O-N 3.46Å; V387-L389 VanDerWaalsContact C-N 3.31Å; V387-L389 PolarHBondContact O-N 3.35Å; V387-R390 PolarHBondContact O-N 2.69Å; V387-F394 HydrophobicContact CG1-CD1 4.38Å; V387-I395 HydrophobicContact CG1-CG1 3.66Å; V387-L398 HydrophobicContact CG1-CD2 4.21Å; V387-L398 HydrophobicContact CG2-CD2 4.16Å |
| 388 | R | 94.5 | Very high | 92.1 | Very high | 141 Ų | 141 | 59.3 Ų | 59.3 | 53% | 0.532 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 179.1 | -173.4 | 178.6 | 65 | -127.3 | -6.6 | 112.1 | E384 T385 A386 G391 | E384-R388 WeakPolarHBondContact O-CB 3.36Å; E384-R388 PolarHBondContact O-N 2.91Å; T385-R388 PolarHBondContact O-N 3.06Å; T385-R388 PolarHBondContact OG1-NH2 2.78Å; A386-R388 PolarHBondContact O-N 2.67Å; R388-G391 PolarHBondContact O-N 3.16Å |
| 389 | L | 92.1 | Very high | 91.8 | Very high | 42 Ų | 42 | 63.5 Ų | 63.5 | 22% | 0.22 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.5 | -29.8 | -179.3 | -73.4 | 171.7 | 0 | 0 | 0 | 113.1 | Q373 V374 T385 A386 V387 G391 | Q373-L389 HydrophobicContact CB-CD1 3.8Å; V374-L389 HydrophobicContact CG2-CB 3.46Å; V374-L389 VanDerWaalsContact CG2-CB 3.46Å; V374-L389 HydrophobicContact CG2-CD1 3.98Å; V374-L389 HydrophobicContact CG2-CG 4.35Å; T385-L389 HydrophobicContact CG2-CD1 3.67Å; T385-L389 HydrophobicContact CG2-CG 4.06Å; T385-L389 WeakPolarHBondContact O-CB 3.4Å; T385-L389 VanDerWaalsContact O-CG 3.25Å; T385-L389 WeakPolarHBondContact O-CG 3.35Å; T385-L389 PolarHBondContact O-N 2.91Å; A386-L389 PolarHBondContact O-N 3.15Å; V387-L389 VanDerWaalsContact C-N 3.31Å; V387-L389 PolarHBondContact O-N 3.35Å; L389-G391 PolarHBondContact O-N 3.1Å |
| 390 | R | 90.6 | Very high | 91.5 | Very high | 45 Ų | 45 | 60.2 Ų | 60.2 | 17% | 0.17 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -27 | 170.8 | -68.9 | -63.6 | -170.6 | -157.4 | -3.7 | 112.7 | D184 H227 E248 A386 V387 F394 | D184-R390 PolarHBondContact O-NH1 2.83Å; D184-R390 VanDerWaalsContact O-NH1 3.15Å; H227-R390 PolarHBondContact O-NH2 3.49Å; E248-R390 HydrophobicContact CG-CG 4.1Å; E248-R390 IonicContact OE1-CZ 2.65Å; E248-R390 IonicContact OE1-NE 2.93Å; E248-R390 PolarHBondContact OE1-NE 3.34Å; E248-R390 IonicContact OE1-NH2 3.81Å; E248-R390 PolarHBondContact OE1-NH2 3.18Å; E248-R390 VanDerWaalsContact OE1-NH2 3.13Å; A386-R390 WeakPolarHBondContact O-CG 3.36Å; A386-R390 PolarHBondContact O-N 3.16Å; V387-R390 PolarHBondContact O-N 2.69Å; R390-F394 HydrophobicContact CB-CB 3.67Å; R390-F394 HydrophobicContact CB-CD1 4.13Å; R390-F394 HydrophobicContact CB-CD2 3.9Å; R390-F394 HydrophobicContact CB-CG 3.64Å; R390-F394 HydrophobicContact CG-CD1 4.46Å; R390-F394 HydrophobicContact CG-CD2 4.08Å; R390-F394 HydrophobicContact CG-CE2 4.33Å; R390-F394 HydrophobicContact CG-CG 4.17Å |
| 391 | G | 87.6 | Confident | 91.2 | Very high | 23 Ų | 23 | 54.7 Ų | 54.7 | 24% | 0.237 | 26% | 0.256 | C | S | . | . | trans | 103.4 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R388 L389 T393 F394 I395 | R388-G391 PolarHBondContact O-N 3.16Å; L389-G391 PolarHBondContact O-N 3.1Å; G391-T393 VanDerWaalsContact C-N 3.34Å; G391-T393 PolarHBondContact O-N 3.3Å; G391-F394 WeakPolarHBondContact O-CB 3.47Å; G391-F394 PolarHBondContact O-N 3.21Å; G391-F394 VanDerWaalsContact O-N 3.17Å; G391-I395 PolarHBondContact O-N 2.85Å; G391-I395 VanDerWaalsContact O-N 3.17Å | ||
| 392 | K | 84.3 | Confident | 90.8 | Very high | 165 Ų | 165 | 53.2 Ų | 53.2 | 72% | 0.717 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -60.7 | -38.7 | -168.6 | -64.3 | -175.2 | 178.8 | -175.9 | 0 | 113.5 | F394 I395 R396 | K392-F394 VanDerWaalsContact C-N 3.33Å; K392-F394 PolarHBondContact O-N 2.96Å; K392-I395 PolarHBondContact O-N 2.91Å; K392-R396 WeakPolarHBondContact O-CB 3.5Å; K392-R396 PolarHBondContact O-N 3.09Å |
| 393 | T | 83.3 | Confident | 90.1 | Very high | 47 Ų | 47 | 51.6 Ų | 51.6 | 29% | 0.288 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 179.6 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | G391 R396 N397 | G391-T393 VanDerWaalsContact C-N 3.34Å; G391-T393 PolarHBondContact O-N 3.3Å; T393-R396 PolarHBondContact O-N 2.98Å; T393-N397 PolarHBondContact O-N 2.92Å; T393-N397 PolarHBondContact O-ND2 2.96Å |
| 394 | F | 91.5 | Very high | 89.4 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -49.5 | 176.6 | -167.2 | -77.6 | 0 | 0 | 0 | 111 | Y230 L233 I246 E248 V387 R390 G391 K392 R396 N397 L398 | Y230-F394 AromaticContact CD2-CD2 3.99Å; Y230-F394 HydrophobicContact CD2-CD2 3.99Å; L233-F394 HydrophobicContact CD2-CD1 4.26Å; L233-F394 HydrophobicContact CD2-CD2 4.43Å; L233-F394 HydrophobicContact CD2-CE1 4.02Å; L233-F394 HydrophobicContact CD2-CE2 4.19Å; L233-F394 HydrophobicContact CD2-CG 4.45Å; L233-F394 HydrophobicContact CD2-CZ 3.97Å; I246-F394 HydrophobicContact CD1-CE1 4.31Å; I246-F394 HydrophobicContact CD1-CZ 4.09Å; E248-F394 HydrophobicContact CB-CE1 3.9Å; E248-F394 HydrophobicContact CB-CZ 3.87Å; E248-F394 HydrophobicContact CG-CE1 4.26Å; E248-F394 HydrophobicContact CG-CZ 3.89Å; V387-F394 HydrophobicContact CG1-CD1 4.38Å; R390-F394 HydrophobicContact CB-CB 3.67Å; R390-F394 HydrophobicContact CB-CD1 4.13Å; R390-F394 HydrophobicContact CB-CD2 3.9Å; R390-F394 HydrophobicContact CB-CG 3.64Å; R390-F394 HydrophobicContact CG-CD1 4.46Å; R390-F394 HydrophobicContact CG-CD2 4.08Å; R390-F394 HydrophobicContact CG-CE2 4.33Å; R390-F394 HydrophobicContact CG-CG 4.17Å; G391-F394 WeakPolarHBondContact O-CB 3.47Å; G391-F394 PolarHBondContact O-N 3.21Å; G391-F394 VanDerWaalsContact O-N 3.17Å; K392-F394 VanDerWaalsContact C-N 3.33Å; K392-F394 PolarHBondContact O-N 2.96Å; F394-R396 VanDerWaalsContact C-N 3.31Å; F394-R396 PolarHBondContact O-N 2.86Å; F394-N397 PolarHBondContact O-N 3.2Å; F394-L398 WeakPolarHBondContact O-CB 3.43Å; F394-L398 PolarHBondContact O-N 3.11Å |
| 395 | I | 92 | Very high | 88.7 | Confident | 48 Ų | 48 | 43.3 Ų | 43.3 | 25% | 0.246 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -52.8 | -50.9 | 176.7 | -68.7 | 160.2 | 0 | 0 | 0 | 110.5 | V387 G391 K392 N397 L398 E399 | V387-I395 HydrophobicContact CG1-CG1 3.66Å; G391-I395 PolarHBondContact O-N 2.85Å; G391-I395 VanDerWaalsContact O-N 3.17Å; K392-I395 PolarHBondContact O-N 2.91Å; I395-N397 PolarHBondContact O-N 2.81Å; I395-L398 WeakPolarHBondContact O-CA 3.38Å; I395-L398 WeakPolarHBondContact O-CB 3.38Å; I395-L398 PolarHBondContact O-N 3.03Å; I395-E399 HydrophobicContact CG2-CG 4.31Å; I395-E399 WeakPolarHBondContact CG2-OE1 3.47Å; I395-E399 WeakPolarHBondContact O-CG 3.46Å; I395-E399 PolarHBondContact O-N 3.44Å |
| 396 | R | 85.9 | Confident | 87.7 | Confident | 67 Ų | 67 | 46.4 Ų | 46.4 | 25% | 0.253 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.6 | -37.4 | -176.1 | -176.2 | 160.5 | 164.5 | 173.9 | -10.4 | 113.1 | K392 T393 F394 L398 T400 S740 | K392-R396 WeakPolarHBondContact O-CB 3.5Å; K392-R396 PolarHBondContact O-N 3.09Å; T393-R396 PolarHBondContact O-N 2.98Å; F394-R396 VanDerWaalsContact C-N 3.31Å; F394-R396 PolarHBondContact O-N 2.86Å; R396-L398 VanDerWaalsContact C-N 3.32Å; R396-T400 WeakPolarHBondContact O-CB 3.45Å; R396-T400 PolarHBondContact O-N 2.9Å; R396-T400 PolarHBondContact O-OG1 2.97Å; R396-S740 PolarHBondContact NH1-OG 3.27Å; R396-S740 PolarHBondContact NH2-OG 3.29Å |
| 397 | N | 91 | Very high | 86.1 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 170.7 | -84.4 | -37.1 | 0 | 0 | 0 | 110.6 | L233 L237 T393 F394 I395 E399 T400 Y401 N695 R699 | L233-N397 HydrophobicContact CD2-CB 3.69Å; L233-N397 HydrophobicContact CG-CB 4Å; L237-N397 HydrophobicContact CD1-CB 3.85Å; L237-N397 WeakPolarHBondContact CD1-OD1 3.46Å; T393-N397 PolarHBondContact O-N 2.92Å; T393-N397 PolarHBondContact O-ND2 2.96Å; F394-N397 PolarHBondContact O-N 3.2Å; I395-N397 PolarHBondContact O-N 2.81Å; N397-E399 PolarHBondContact O-N 2.92Å; N397-T400 PolarHBondContact O-N 3.03Å; N397-Y401 VanDerWaalsContact O-CB 3.25Å; N397-Y401 WeakPolarHBondContact O-CB 3.19Å; N397-Y401 PolarHBondContact O-N 2.8Å; N397-N695 PolarHBondContact OD1-ND2 3.39Å; N397-N695 PolarHBondContact OD1-OD1 2.81Å; N397-R699 WeakPolarHBondContact OD1-CD 3.27Å |
| 398 | L | 93 | Very high | 84.8 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.6 | -43 | -179.6 | -177.8 | 59.1 | 0 | 0 | 0 | 112.2 | L233 I246 W249 V387 F394 I395 R396 Y401 K402 | L233-L398 HydrophobicContact CD1-CD1 4.27Å; L233-L398 HydrophobicContact CD2-CB 4.13Å; I246-L398 HydrophobicContact CD1-CD1 3.89Å; W249-L398 HydrophobicContact CB-CD1 4.14Å; W249-L398 HydrophobicContact CB-CD2 3.95Å; W249-L398 HydrophobicContact CD2-CD1 4.06Å; W249-L398 HydrophobicContact CE3-CD1 3.83Å; W249-L398 HydrophobicContact CG-CD1 4.2Å; W249-L398 HydrophobicContact CG-CD2 4.17Å; V387-L398 HydrophobicContact CG1-CD2 4.21Å; V387-L398 HydrophobicContact CG2-CD2 4.16Å; F394-L398 WeakPolarHBondContact O-CB 3.43Å; F394-L398 PolarHBondContact O-N 3.11Å; I395-L398 WeakPolarHBondContact O-CA 3.38Å; I395-L398 WeakPolarHBondContact O-CB 3.38Å; I395-L398 PolarHBondContact O-N 3.03Å; R396-L398 VanDerWaalsContact C-N 3.32Å; L398-Y401 PolarHBondContact O-N 3.39Å; L398-K402 HydrophobicContact CG-CD 4.36Å; L398-K402 WeakPolarHBondContact O-CB 3.47Å; L398-K402 VanDerWaalsContact O-CG 3.27Å; L398-K402 WeakPolarHBondContact O-CG 3.41Å; L398-K402 PolarHBondContact O-N 2.92Å |
| 399 | E | 89.1 | Confident | 83.1 | Confident | 117 Ų | 117 | 49 Ų | 49 | 55% | 0.547 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63 | -47.3 | 175.5 | -71.2 | 169.8 | 163.9 | 0 | 0 | 111.7 | I395 N397 Y401 K402 L403 | I395-E399 HydrophobicContact CG2-CG 4.31Å; I395-E399 WeakPolarHBondContact CG2-OE1 3.47Å; I395-E399 WeakPolarHBondContact O-CG 3.46Å; I395-E399 PolarHBondContact O-N 3.44Å; N397-E399 PolarHBondContact O-N 2.92Å; E399-Y401 VanDerWaalsContact C-N 3.27Å; E399-Y401 PolarHBondContact O-N 3.41Å; E399-K402 PolarHBondContact O-N 3.37Å; E399-L403 PolarHBondContact O-N 2.77Å |
| 400 | T | 85.5 | Confident | 81.5 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 8% | 0.08 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -41.1 | 176.7 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | L237 R396 N397 L403 L404 T698 R699 A702 | L237-T400 HydrophobicContact CD2-CG2 3.99Å; R396-T400 WeakPolarHBondContact O-CB 3.45Å; R396-T400 PolarHBondContact O-N 2.9Å; R396-T400 PolarHBondContact O-OG1 2.97Å; N397-T400 PolarHBondContact O-N 3.03Å; T400-L403 PolarHBondContact O-N 3.36Å; T400-L404 HydrophobicContact CG2-CD1 3.75Å; T400-L404 HydrophobicContact CG2-CG 4.39Å; T400-L404 WeakPolarHBondContact O-CB 3.37Å; T400-L404 WeakPolarHBondContact O-CG 3.46Å; T400-L404 PolarHBondContact O-N 2.76Å; T400-T698 HydrophobicContact CG2-CG2 4.3Å; T400-R699 HydrophobicContact CG2-CG 4.34Å; T400-A702 HydrophobicContact CG2-CB 4.36Å |
| 401 | Y | 90.5 | Very high | 79.8 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65 | -45.9 | 178 | 175 | -95.4 | 0 | 0 | 0 | 111.8 | L233 L237 F243 T244 W249 N397 L398 E399 L403 L404 T405 | L233-Y401 HydrophobicContact CD1-CD1 4.32Å; L233-Y401 HydrophobicContact CD1-CD2 4.41Å; L233-Y401 HydrophobicContact CD1-CG 3.88Å; L237-Y401 HydrophobicContact CD2-CD2 4.31Å; L237-Y401 HydrophobicContact CG-CD2 4.29Å; F243-Y401 VanDerWaalsContact C-OH 3.24Å; F243-Y401 WeakPolarHBondContact CA-OH 3.47Å; T244-Y401 VanDerWaalsContact CB-OH 3.3Å; T244-Y401 WeakPolarHBondContact CB-OH 3.21Å; T244-Y401 PolarHBondContact N-OH 3.45Å; T244-Y401 VanDerWaalsContact OG1-CE2 3.3Å; T244-Y401 WeakPolarHBondContact OG1-CE2 3.25Å; T244-Y401 PolarHBondContact OG1-OH 3.01Å; T244-Y401 VanDerWaalsContact OG1-OH 3.11Å; W249-Y401 HydrophobicContact CZ3-CE1 4.32Å; N397-Y401 VanDerWaalsContact O-CB 3.25Å; N397-Y401 WeakPolarHBondContact O-CB 3.19Å; N397-Y401 PolarHBondContact O-N 2.8Å; L398-Y401 PolarHBondContact O-N 3.39Å; E399-Y401 VanDerWaalsContact C-N 3.27Å; E399-Y401 PolarHBondContact O-N 3.41Å; Y401-L403 PolarHBondContact O-N 2.93Å; Y401-L404 PolarHBondContact O-N 3.34Å; Y401-T405 HydrophobicContact CD2-CG2 3.72Å; Y401-T405 HydrophobicContact CE1-CG2 4.17Å; Y401-T405 HydrophobicContact CE2-CG2 3.31Å; Y401-T405 HydrophobicContact CG-CG2 4.28Å; Y401-T405 WeakPolarHBondContact O-CB 3.26Å; Y401-T405 VanDerWaalsContact O-CG2 3.32Å; Y401-T405 WeakPolarHBondContact O-CG2 3.34Å; Y401-T405 PolarHBondContact O-N 2.71Å; Y401-T405 VanDerWaalsContact O-N 3.08Å; Y401-T405 PolarHBondContact O-OG1 3.42Å |
| 402 | K | 87 | Confident | 78.3 | Confident | 77 Ų | 77 | 60.1 Ų | 60.1 | 34% | 0.335 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.4 | -35.4 | 175.9 | -75.8 | 170.2 | 176.9 | -179.7 | 0 | 112.2 | W249 L398 E399 K406 | W249-K402 HydrophobicContact CH2-CG 4.06Å; W249-K402 HydrophobicContact CZ2-CD 4.38Å; W249-K402 VanDerWaalsContact CZ2-CE 3.48Å; W249-K402 HydrophobicContact CZ2-CG 4.31Å; W249-K402 HydrophobicContact CZ3-CG 4.36Å; L398-K402 HydrophobicContact CG-CD 4.36Å; L398-K402 WeakPolarHBondContact O-CB 3.47Å; L398-K402 VanDerWaalsContact O-CG 3.27Å; L398-K402 WeakPolarHBondContact O-CG 3.41Å; L398-K402 PolarHBondContact O-N 2.92Å; E399-K402 PolarHBondContact O-N 3.37Å; K402-K406 WeakPolarHBondContact O-CG 3.34Å |
| 403 | L | 80.1 | Confident | 76.8 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -75.7 | -49.1 | 179.9 | -172.8 | 55.4 | 0 | 0 | 0 | 111.9 | E399 T400 Y401 T405 K406 N446 | E399-L403 PolarHBondContact O-N 2.77Å; T400-L403 PolarHBondContact O-N 3.36Å; Y401-L403 PolarHBondContact O-N 2.93Å; L403-T405 PolarHBondContact O-N 3.2Å; L403-K406 PolarHBondContact O-N 3.25Å; L403-N446 WeakPolarHBondContact CD2-OD1 3.13Å; L403-N446 VanDerWaalsContact CG-OD1 3.29Å; L403-N446 WeakPolarHBondContact CG-OD1 3.41Å |
| 404 | L | 80.8 | Confident | 75.6 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -75.3 | -20.9 | -173.5 | -74.1 | 176.6 | 0 | 0 | 0 | 115.1 | L237 T400 Y401 R445 N446 T698 | L237-L404 HydrophobicContact CD2-CD1 4.25Å; T400-L404 HydrophobicContact CG2-CD1 3.75Å; T400-L404 HydrophobicContact CG2-CG 4.39Å; T400-L404 WeakPolarHBondContact O-CB 3.37Å; T400-L404 WeakPolarHBondContact O-CG 3.46Å; T400-L404 PolarHBondContact O-N 2.76Å; Y401-L404 PolarHBondContact O-N 3.34Å; L404-R445 HydrophobicContact CD2-CB 4.14Å; L404-R445 PolarHBondContact O-NH1 2.81Å; L404-N446 VanDerWaalsContact CD2-ND2 3.31Å; L404-N446 WeakPolarHBondContact CD2-ND2 3.27Å; L404-T698 HydrophobicContact CD1-CG2 3.18Å |
| 405 | T | 79.3 | Confident | 74.7 | Confident | 24 Ų | 24 | 68.2 Ų | 68.2 | 15% | 0.147 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 1.7 | 178.6 | 64.3 | 0 | 0 | 0 | 0 | 113.8 | K262 Y401 L403 | K262-T405 WeakPolarHBondContact CE-O 3.31Å; K262-T405 VanDerWaalsContact NZ-CB 3.3Å; K262-T405 PolarHBondContact NZ-O 3.41Å; K262-T405 PolarHBondContact NZ-OG1 2.97Å; Y401-T405 HydrophobicContact CD2-CG2 3.72Å; Y401-T405 HydrophobicContact CE1-CG2 4.17Å; Y401-T405 HydrophobicContact CE2-CG2 3.31Å; Y401-T405 HydrophobicContact CG-CG2 4.28Å; Y401-T405 WeakPolarHBondContact O-CB 3.26Å; Y401-T405 VanDerWaalsContact O-CG2 3.32Å; Y401-T405 WeakPolarHBondContact O-CG2 3.34Å; Y401-T405 PolarHBondContact O-N 2.71Å; Y401-T405 VanDerWaalsContact O-N 3.08Å; Y401-T405 PolarHBondContact O-OG1 3.42Å; L403-T405 PolarHBondContact O-N 3.2Å |
| 406 | K | 73.7 | Confident | 74 | Confident | 92 Ų | 92 | 69.1 Ų | 69.1 | 40% | 0.4 | 33% | 0.334 | S | S | . | . | trans | -63.1 | 145.5 | 167.4 | -66.5 | 178.5 | -177.1 | 175 | 0 | 109.2 | K402 L403 W474 | K402-K406 WeakPolarHBondContact O-CG 3.34Å; L403-K406 PolarHBondContact O-N 3.25Å; K406-W474 WeakPolarHBondContact O-CZ2 3.45Å | ||
| 407 | I | 62.4 | Low | 73.6 | Confident | 25 Ų | 25 | 66 Ų | 66 | 13% | 0.128 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -82.1 | -31.5 | -176.4 | -59.4 | 164.5 | 0 | 0 | 0 | 111 | K262 E265 T266 W474 | K262-I407 HydrophobicContact CB-CD1 4.02Å; K262-I407 HydrophobicContact CG-CD1 3.42Å; K262-I407 VanDerWaalsContact CG-CD1 3.42Å; K262-I407 HydrophobicContact CG-CG1 3.88Å; E265-I407 HydrophobicContact CB-CD1 3.61Å; E265-I407 HydrophobicContact CB-CG2 4.14Å; E265-I407 HydrophobicContact CG-CD1 4.4Å; E265-I407 VanDerWaalsContact OE2-CD1 3.25Å; E265-I407 WeakPolarHBondContact OE2-CD1 3.48Å; T266-I407 HydrophobicContact CG2-CD1 4.4Å; T266-I407 HydrophobicContact CG2-CG1 4.02Å; T266-I407 HydrophobicContact CG2-CG2 4.48Å; I407-W474 PolarHBondContact O-NE1 2.68Å |
| 408 | R | 66 | Low | 73.1 | Confident | 140 Ų | 140 | 68.8 Ų | 68.8 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -136 | 159.1 | -180 | -64.9 | -177.2 | 179.6 | 171.5 | -0.1 | 110.2 | H269 | H269-R408 PolarHBondContact CE1-NE 2.8Å; H269-R408 PolarHBondContact CE1-NH2 3.4Å; H269-R408 VanDerWaalsContact NE2-CZ 3.33Å; H269-R408 PolarHBondContact NE2-NE 2.82Å; H269-R408 PolarHBondContact NE2-NH2 2.85Å |
| 409 | P | 60.1 | Low | 72.5 | Confident | 50 Ų | 50 | 71.4 Ų | 71.4 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | trans | -47.1 | 131.2 | 165.5 | -29.8 | 37.3 | 0 | 0 | 0 | 111.4 | M411 L448 W474 | P409-M411 PolarHBondContact O-N 3.15Å; P409-L448 WeakPolarHBondContact CB-O 3.22Å; P409-L448 WeakPolarHBondContact CG-O 3.23Å; P409-W474 HydrophobicContact CG-CE3 4.2Å; P409-W474 HydrophobicContact CG-CZ3 4.29Å | ||
| 410 | P | 58.8 | Low | 72.3 | Confident | 39 Ų | 39 | 69.7 Ų | 69.7 | 25% | 0.253 | 37% | 0.372 | S | S | . | . | trans | -57.9 | 128.9 | 176.4 | 22.1 | -31.3 | 0 | 0 | 0 | 110.4 | D412 S449 | P410-D412 PolarHBondContact O-N 3.4Å; P410-S449 VanDerWaalsContact CD-O 3.32Å; P410-S449 WeakPolarHBondContact CD-O 3.15Å; P410-S449 WeakPolarHBondContact CG-O 3.14Å | ||
| 411 | M | 54.5 | Low | 72.5 | Confident | 162 Ų | 162 | 77.8 Ų | 77.8 | 80% | 0.798 | 41% | 0.406 | S | S | * | . | trans | -76.9 | -18.3 | -162.8 | -91.8 | -161.3 | -78.1 | 0 | 0 | 117.4 | P409 | P409-M411 PolarHBondContact O-N 3.15Š| ||
| 412 | D | 54.8 | Low | 72.7 | Confident | 143 Ų | 143 | 77.7 Ų | 77.7 | 77% | 0.765 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -172.1 | -6.7 | 173.2 | -104.3 | -33.8 | 0 | 0 | 0 | 120.4 | P410 | P410-D412 PolarHBondContact O-N 3.4Š|
| 413 | K | 52.5 | Low | 73.2 | Confident | 198 Ų | 198 | 75.1 Ų | 75.1 | 86% | 0.861 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -101.4 | -17.9 | -168.3 | -70 | -171.8 | 178.5 | -178.3 | 0 | 118.1 | ||
| 414 | N | 59 | Low | 74.1 | Confident | 150 Ų | 150 | 73.7 Ų | 73.7 | 80% | 0.802 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -139.9 | 36.6 | -175.8 | -74.3 | -27.3 | 0 | 0 | 0 | 112.2 | L416 | N414-L416 PolarHBondContact O-N 3.25Š|
| 415 | I | 72.6 | Confident | 75 | Confident | 39 Ų | 39 | 73.4 Ų | 73.4 | 20% | 0.2 | 39% | 0.388 | C | S | . | . | trans | -75.7 | 114.2 | 179.5 | -62 | 174.2 | 0 | 0 | 0 | 108.5 | S417 G418 H450 | I415-S417 WeakPolarHBondContact CG2-OG 3.31Å; I415-S417 PolarHBondContact O-N 3.28Å; I415-S417 VanDerWaalsContact O-N 3.15Å; I415-G418 PolarHBondContact O-N 3.4Å; I415-H450 HydrophobicContact CG2-CB 4.41Å; I415-H450 VanDerWaalsContact CG2-O 3.31Å; I415-H450 WeakPolarHBondContact CG2-O 3.35Å | ||
| 416 | L | 77.5 | Confident | 75.9 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.2 | 179.1 | -84.6 | 167.4 | 0 | 0 | 0 | 112.9 | N414 G418 E706 V709 R713 | N414-L416 PolarHBondContact O-N 3.25Å; L416-G418 PolarHBondContact O-N 2.63Å; L416-G418 VanDerWaalsContact O-N 3.17Å; L416-E706 HydrophobicContact CD1-CB 4.31Å; L416-E706 HydrophobicContact CD1-CG 3.9Å; L416-V709 HydrophobicContact CB-CG1 3.8Å; L416-R713 PolarHBondContact O-NH1 3.41Å |
| 417 | S | 78.3 | Confident | 77.1 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.014 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -13.6 | 177 | 80.8 | 0 | 0 | 0 | 0 | 113.5 | I415 G419 H420 H450 | I415-S417 WeakPolarHBondContact CG2-OG 3.31Å; I415-S417 PolarHBondContact O-N 3.28Å; I415-S417 VanDerWaalsContact O-N 3.15Å; S417-G419 PolarHBondContact O-N 3.08Å; S417-G419 PolarHBondContact OG-N 3.05Å; S417-H420 VanDerWaalsContact CB-O 3.23Å; S417-H420 WeakPolarHBondContact CB-O 3.31Å; S417-H420 WeakPolarHBondContact O-CB 3.4Å; S417-H420 PolarHBondContact O-CD2 3.35Å; S417-H420 VanDerWaalsContact O-CD2 3.25Å; S417-H420 PolarHBondContact O-N 2.91Å; S417-H420 PolarHBondContact OG-O 3.32Å; S417-H450 WeakPolarHBondContact CB-O 3.14Å; S417-H450 PolarHBondContact OG-O 2.64Å; S417-H450 VanDerWaalsContact OG-O 3.14Å |
| 418 | G | 80.5 | Confident | 78.8 | Confident | 59 Ų | 59 | 66.7 Ų | 66.7 | 61% | 0.608 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 23.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I415 L416 | I415-G418 PolarHBondContact O-N 3.4Å; L416-G418 PolarHBondContact O-N 2.63Å; L416-G418 VanDerWaalsContact O-N 3.17Å |
| 419 | G | 80.4 | Confident | 80.4 | Confident | 61 Ų | 61 | 60 Ų | 60 | 63% | 0.629 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | -7.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S417 | S417-G419 PolarHBondContact O-N 3.08Å; S417-G419 PolarHBondContact OG-N 3.05Å |
| 420 | H | 84.6 | Confident | 82.1 | Confident | 81 Ų | 81 | 57.7 Ų | 57.7 | 38% | 0.375 | 32% | 0.315 | S | S | . | . | trans | -68.5 | 140.2 | 171.6 | -66.7 | -81.7 | 0 | 0 | 0 | 110.9 | S417 F422 | S417-H420 VanDerWaalsContact CB-O 3.23Å; S417-H420 WeakPolarHBondContact CB-O 3.31Å; S417-H420 WeakPolarHBondContact O-CB 3.4Å; S417-H420 PolarHBondContact O-CD2 3.35Å; S417-H420 VanDerWaalsContact O-CD2 3.25Å; S417-H420 PolarHBondContact O-N 2.91Å; S417-H420 PolarHBondContact OG-O 3.32Å; H420-F422 HydrophobicContact CB-CD1 4.48Å; H420-F422 HydrophobicContact CB-CD2 4.44Å; H420-F422 HydrophobicContact CB-CE1 3.79Å; H420-F422 HydrophobicContact CB-CE2 3.76Å; H420-F422 HydrophobicContact CB-CZ 3.37Å; H420-F422 AromaticContact CG-CZ 3.98Å | ||
| 421 | K | 88.4 | Confident | 83.9 | Confident | 182 Ų | 182 | 57.4 Ų | 57.4 | 79% | 0.791 | 32% | 0.316 | S | S | * | . | trans | -104.6 | 88 | 176.9 | -67.4 | -174.4 | 179.8 | -178.9 | 0 | 109.8 | ||||
| 422 | F | 95.7 | Very high | 85.9 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 2% | 0.022 | 29% | 0.291 | C | S | . | . | trans | -79.9 | 147.3 | 176.6 | -55.2 | -59.7 | 0 | 0 | 0 | 111.7 | H420 F424 C452 R453 D512 A712 R713 V716 V722 | H420-F422 HydrophobicContact CB-CD1 4.48Å; H420-F422 HydrophobicContact CB-CD2 4.44Å; H420-F422 HydrophobicContact CB-CE1 3.79Å; H420-F422 HydrophobicContact CB-CE2 3.76Å; H420-F422 HydrophobicContact CB-CZ 3.37Å; H420-F422 AromaticContact CG-CZ 3.98Å; F422-F424 HydrophobicContact CB-CD1 4.23Å; F422-F424 HydrophobicContact CB-CE1 3.59Å; F422-F424 HydrophobicContact CB-CE2 4.27Å; F422-F424 HydrophobicContact CB-CZ 3.61Å; F422-F424 HydrophobicContact CD2-CZ 4.06Å; F422-F424 HydrophobicContact CG-CE1 4.23Å; F422-F424 HydrophobicContact CG-CZ 4.06Å; F422-C452 CarbonylContact O-C 3.55Å; F422-C452 VanDerWaalsContact O-CA 3.27Å; F422-C452 WeakPolarHBondContact O-CA 3.15Å; F422-C452 WeakPolarHBondContact O-CB 3.37Å; F422-R453 PolarHBondContact O-N 3.39Å; F422-D512 WeakPolarHBondContact CA-OD2 3.42Å; F422-D512 HydrophobicContact CB-CB 4.32Å; F422-D512 HydrophobicContact CD1-CB 4.46Å; F422-A712 HydrophobicContact CD1-CB 3.88Å; F422-A712 HydrophobicContact CD2-CB 3.95Å; F422-A712 HydrophobicContact CE1-CB 3.89Å; F422-A712 HydrophobicContact CE2-CB 3.95Å; F422-A712 HydrophobicContact CG-CB 3.92Å; F422-A712 HydrophobicContact CZ-CB 3.93Å; F422-R713 HydrophobicContact CE2-CB 4.33Å; F422-R713 HydrophobicContact CZ-CB 4.14Å; F422-V716 HydrophobicContact CE1-CG2 3.67Å; F422-V716 HydrophobicContact CZ-CG2 3.88Å; F422-V722 HydrophobicContact CD1-CG2 3.79Å; F422-V722 HydrophobicContact CE1-CG2 3.79Å | ||
| 423 | T | 98.1 | Very high | 87.9 | Confident | 23 Ų | 23 | 44.9 Ų | 44.9 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 110 | 171.3 | -56.3 | 0 | 0 | 0 | 0 | 109.8 | R453 Y455 K510 I511 D512 | T423-R453 CarbonylContact C-O 3.53Å; T423-R453 WeakPolarHBondContact CA-O 3.35Å; T423-Y455 HydrophobicContact CG2-CD2 3.63Å; T423-Y455 HydrophobicContact CG2-CE2 3.64Å; T423-K510 WeakPolarHBondContact CB-O 3.48Å; T423-I511 HydrophobicContact CG2-CD1 3.96Å; T423-D512 PolarHBondContact N-OD2 3.29Å; T423-D512 PolarHBondContact O-N 3.45Å |
| 424 | F | 98.5 | Very high | 90 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 151.8 | 177.6 | -60.4 | -34.3 | 0 | 0 | 0 | 112.2 | F422 F443 A447 C452 R453 V454 Y455 D512 G513 L708 V709 A712 | F422-F424 HydrophobicContact CB-CD1 4.23Å; F422-F424 HydrophobicContact CB-CE1 3.59Å; F422-F424 HydrophobicContact CB-CE2 4.27Å; F422-F424 HydrophobicContact CB-CZ 3.61Å; F422-F424 HydrophobicContact CD2-CZ 4.06Å; F422-F424 HydrophobicContact CG-CE1 4.23Å; F422-F424 HydrophobicContact CG-CZ 4.06Å; F424-F443 HydrophobicContact CB-CE1 4.37Å; F424-F443 HydrophobicContact CB-CZ 3.98Å; F424-F443 HydrophobicContact CD2-CZ 4.19Å; F424-F443 HydrophobicContact CG-CZ 4.41Å; F424-A447 HydrophobicContact CD2-CB 4.21Å; F424-C452 HydrophobicContact CD2-CB 4.09Å; F424-C452 HydrophobicContact CE2-CB 4.08Å; F424-R453 PolarHBondContact N-O 3.09Å; F424-V454 CarbonylContact O-C 3.51Å; F424-V454 WeakPolarHBondContact O-CA 3.41Å; F424-Y455 PolarHBondContact O-N 3.28Å; F424-D512 HydrophobicContact CE1-CB 4.48Å; F424-G513 WeakPolarHBondContact CA-O 3.34Å; F424-L708 HydrophobicContact CE1-CB 4.44Å; F424-L708 HydrophobicContact CE2-CB 4.14Å; F424-L708 HydrophobicContact CZ-CB 4.07Å; F424-V709 HydrophobicContact CE2-CG2 3.7Å; F424-V709 HydrophobicContact CZ-CG2 4.19Å; F424-A712 HydrophobicContact CE1-CB 4Å; F424-A712 HydrophobicContact CZ-CB 4.03Å |
| 425 | A | 98.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 142.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y455 I457 F469 I511 G513 L514 F515 | A425-Y455 CarbonylContact C-O 3.57Å; A425-Y455 VanDerWaalsContact CA-O 3.24Å; A425-Y455 WeakPolarHBondContact CA-O 3.45Å; A425-I457 HydrophobicContact CB-CD1 3.81Å; A425-I457 HydrophobicContact CB-CG1 4.35Å; A425-F469 HydrophobicContact CB-CE1 4.47Å; A425-I511 HydrophobicContact CB-CD1 3.94Å; A425-I511 HydrophobicContact CB-CG1 4.22Å; A425-I511 HydrophobicContact CB-CG2 3.89Å; A425-G513 PolarHBondContact N-O 3.15Å; A425-L514 HydrophobicContact CB-CD1 3.79Å; A425-F515 PolarHBondContact O-N 2.77Å |
| 426 | V | 98.8 | Very high | 93 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 138.3 | 173.2 | 59.1 | 0 | 0 | 0 | 0 | 111 | V440 F443 V444 V454 Y455 A456 I457 F515 I517 | V426-V440 HydrophobicContact CG1-CG1 4.34Å; V426-V440 HydrophobicContact CG2-CG2 4.15Å; V426-F443 HydrophobicContact CB-CD1 3.79Å; V426-F443 HydrophobicContact CB-CE1 3.89Å; V426-F443 HydrophobicContact CG1-CD1 4.17Å; V426-F443 HydrophobicContact CG1-CE1 4.41Å; V426-F443 HydrophobicContact CG2-CD1 4.13Å; V426-V444 HydrophobicContact CG1-CG2 4.37Å; V426-V454 HydrophobicContact CG1-CG1 4.12Å; V426-Y455 PolarHBondContact N-O 3.15Å; V426-A456 HydrophobicContact CG1-CB 4.2Å; V426-A456 WeakPolarHBondContact O-CA 3.33Å; V426-I457 PolarHBondContact O-N 2.8Å; V426-F515 WeakPolarHBondContact CA-O 3.42Å; V426-F515 HydrophobicContact CB-CB 4.34Å; V426-F515 HydrophobicContact CB-CD1 4.33Å; V426-F515 HydrophobicContact CG2-CB 4.33Å; V426-F515 HydrophobicContact CG2-CD1 3.61Å; V426-F515 HydrophobicContact CG2-CE1 4.41Å; V426-F515 HydrophobicContact CG2-CG 4.37Å; V426-I517 HydrophobicContact CG2-CD1 3.81Å |
| 427 | M | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 153.2 | 173.1 | 70.9 | 178.6 | 165.1 | 0 | 0 | 113.6 | V429 I457 F461 L464 L514 F515 L516 I517 | M427-V429 HydrophobicContact CE-CG2 4.29Å; M427-V429 HydrophobicContact CG-CG2 3.97Å; M427-V429 HydrophobicContact SD-CG2 4.25Å; M427-I457 HydrophobicContact CB-CB 3.92Å; M427-I457 HydrophobicContact CB-CD1 4.32Å; M427-I457 HydrophobicContact CG-CD1 4.48Å; M427-I457 HydrophobicContact SD-CB 4.45Å; M427-I457 HydrophobicContact SD-CD1 3.99Å; M427-I457 HydrophobicContact SD-CG2 4.38Å; M427-F461 HydrophobicContact CE-CD1 4.02Å; M427-F461 HydrophobicContact CE-CD2 4.24Å; M427-F461 HydrophobicContact CE-CE1 3.41Å; M427-F461 VanDerWaalsContact CE-CE1 3.41Å; M427-F461 HydrophobicContact CE-CE2 3.67Å; M427-F461 HydrophobicContact CE-CG 4.41Å; M427-F461 HydrophobicContact CE-CZ 3.21Å; M427-L464 HydrophobicContact CE-CD1 4.06Å; M427-L464 HydrophobicContact SD-CD1 4.17Å; M427-L514 HydrophobicContact CE-CD1 4.43Å; M427-L514 HydrophobicContact CE-CD2 4.27Å; M427-F515 PolarHBondContact N-O 2.88Å; M427-L516 HydrophobicContact CE-CD2 3.14Å; M427-L516 HydrophobicContact CG-CD2 3.81Å; M427-L516 HydrophobicContact SD-CD2 4.3Å; M427-I517 PolarHBondContact O-N 3.4Å |
| 428 | N | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 138.2 | 173.1 | -63.2 | -21.3 | 0 | 0 | 0 | 109.4 | M436 S460 S486 I517 | N428-M436 HydrophobicContact CB-SD 4.08Å; N428-S460 WeakPolarHBondContact O-CB 3.43Å; N428-S460 PolarHBondContact O-OG 2.97Å; N428-S486 PolarHBondContact ND2-OG 3.46Å; N428-I517 CarbonylContact C-O 3.37Å; N428-I517 WeakPolarHBondContact CA-O 3.41Å; N428-I517 WeakPolarHBondContact OD1-CB 3.32Å; N428-I517 WeakPolarHBondContact OD1-CD1 3.1Å |
| 429 | V | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 127.1 | -178.6 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | M427 F461 L516 I517 G518 G519 E521 A522 | M427-V429 HydrophobicContact CE-CG2 4.29Å; M427-V429 HydrophobicContact CG-CG2 3.97Å; M427-V429 HydrophobicContact SD-CG2 4.25Å; V429-F461 HydrophobicContact CG1-CD2 4.33Å; V429-F461 HydrophobicContact CG1-CE2 4.12Å; V429-F461 HydrophobicContact CG2-CD2 4.35Å; V429-F461 HydrophobicContact CG2-CE2 3.93Å; V429-L516 HydrophobicContact CG2-CD2 4.1Å; V429-I517 PolarHBondContact N-O 2.84Å; V429-G518 VanDerWaalsContact O-CA 3.23Å; V429-G518 WeakPolarHBondContact O-CA 3.27Å; V429-G519 PolarHBondContact O-N 2.99Å; V429-G519 VanDerWaalsContact O-N 3.09Å; V429-E521 HydrophobicContact CG1-CB 3.96Å; V429-A522 HydrophobicContact CB-CB 3.96Å |
| 430 | G | 97.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 110.5 | -156 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T490 Q491 | G430-T490 PolarHBondContact N-OG1 2.8Å; G430-T490 WeakPolarHBondContact O-CG2 3.4Å; G430-T490 PolarHBondContact O-OG1 3.46Å; G430-Q491 PolarHBondContact N-O 2.86Å |
| 431 | A | 96.1 | Very high | 97 | Very high | 33 Ų | 33 | 14 Ų | 14 | 27% | 0.273 | 7% | 0.074 | S | C | . | . | S | Bend | trans | -75.6 | 146.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M436 | A431-M436 WeakPolarHBondContact O-CE 3.06Š|
| 432 | P | 96.4 | Very high | 97.3 | Very high | 40 Ų | 40 | 5.3 Ų | 5.3 | 26% | 0.26 | 4% | 0.036 | S | C | . | . | trans | -63.5 | 141.4 | 176.8 | 26.6 | -33.3 | 0 | 0 | 0 | 111.2 | T490 | P432-T490 HydrophobicContact CB-CG2 3.89Å; P432-T490 HydrophobicContact CG-CG2 4.41Å | ||
| 433 | A | 96.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 5.1 Ų | 5.1 | 1% | 0.008 | 4% | 0.035 | C | C | . | . | trans | -144.5 | 147 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | G435 M436 I550 | A433-G435 PolarHBondContact O-N 3.27Å; A433-M436 HydrophobicContact CB-CE 4.45Å; A433-M436 WeakPolarHBondContact O-CG 3.4Å; A433-M436 PolarHBondContact O-N 3.26Å; A433-I550 HydrophobicContact CB-CG2 4.27Å | ||
| 434 | C | 96.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | 134.3 | 171.3 | -83.4 | 0 | 0 | 0 | 0 | 111.2 | I561 G562 S565 Q685 P689 | C434-I561 WeakPolarHBondContact O-CG2 3.4Å; C434-G562 WeakPolarHBondContact O-CA 3.15Å; C434-G562 PolarHBondContact O-N 3.06Å; C434-S565 VanDerWaalsContact CB-CB 3.48Å; C434-S565 VanDerWaalsContact CB-OG 3.25Å; C434-S565 WeakPolarHBondContact CB-OG 3.32Å; C434-Q685 PolarHBondContact SG-O 3.14Å; C434-P689 HydrophobicContact CB-CB 3.7Å |
| 435 | G | 96.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.5 | -13.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A433 N437 A438 A439 A697 | A433-G435 PolarHBondContact O-N 3.27Å; G435-N437 PolarHBondContact O-N 3.27Å; G435-A438 PolarHBondContact O-N 3.31Å; G435-A439 WeakPolarHBondContact O-CB 3.1Å; G435-A439 PolarHBondContact O-N 2.6Å; G435-A697 WeakPolarHBondContact O-CB 3.49Å |
| 436 | M | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -55.4 | -49 | 173.7 | -74.2 | -175.9 | 169.1 | 0 | 0 | 112.2 | N428 A431 A433 A438 A439 V440 T490 I517 C548 | N428-M436 HydrophobicContact CB-SD 4.08Å; A431-M436 WeakPolarHBondContact O-CE 3.06Å; A433-M436 HydrophobicContact CB-CE 4.45Å; A433-M436 WeakPolarHBondContact O-CG 3.4Å; A433-M436 PolarHBondContact O-N 3.26Å; M436-A438 PolarHBondContact O-N 2.53Å; M436-A439 PolarHBondContact O-N 2.8Å; M436-V440 WeakPolarHBondContact O-CG2 3.3Å; M436-V440 PolarHBondContact O-N 3.41Å; M436-T490 HydrophobicContact SD-CG2 4.36Å; M436-I517 HydrophobicContact CG-CG2 4.23Å; M436-C548 HydrophobicContact CG-CB 4.42Å; M436-C548 WeakPolarHBondContact CG-SG 3.28Å |
| 437 | N | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -64.2 | -39.3 | 179.5 | -61.2 | -36.6 | 0 | 0 | 0 | 112.2 | G435 V440 R441 W480 F483 G484 G485 S486 F487 | G435-N437 PolarHBondContact O-N 3.27Å; N437-V440 PolarHBondContact O-N 3.08Å; N437-R441 WeakPolarHBondContact O-CB 3.41Å; N437-R441 PolarHBondContact O-N 3.32Å; N437-W480 HydrophobicContact CB-CB 4.13Å; N437-W480 HydrophobicContact CB-CE3 4.3Å; N437-W480 WeakPolarHBondContact CB-O 3Å; N437-F483 PolarHBondContact ND2-O 2.57Å; N437-G484 PolarHBondContact ND2-O 3.25Å; N437-G485 PolarHBondContact ND2-O 3.29Å; N437-S486 WeakPolarHBondContact OD1-CA 3.21Å; N437-F487 PolarHBondContact OD1-N 3.14Å |
| 438 | A | 96.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 6.6 Ų | 6.6 | 1% | 0.008 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G435 M436 S442 A697 | G435-A438 PolarHBondContact O-N 3.31Å; M436-A438 PolarHBondContact O-N 2.53Å; A438-S442 WeakPolarHBondContact O-CB 3.42Å; A438-S442 PolarHBondContact O-N 2.64Å; A438-A697 HydrophobicContact CB-CB 3.87Å |
| 439 | A | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -64.9 | -49.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G435 M436 R441 S442 F443 I517 L546 A697 A701 | G435-A439 WeakPolarHBondContact O-CB 3.1Å; G435-A439 PolarHBondContact O-N 2.6Å; M436-A439 PolarHBondContact O-N 2.8Å; A439-R441 VanDerWaalsContact C-N 3.32Å; A439-R441 PolarHBondContact O-N 2.92Å; A439-S442 PolarHBondContact O-N 3.09Å; A439-F443 WeakPolarHBondContact O-CB 3.27Å; A439-F443 PolarHBondContact O-N 3.1Å; A439-I517 HydrophobicContact CB-CD1 3.78Å; A439-I517 HydrophobicContact CB-CG1 4.31Å; A439-I517 HydrophobicContact CB-CG2 4.23Å; A439-L546 HydrophobicContact CB-CD2 3.72Å; A439-A697 HydrophobicContact CB-CB 4.12Å; A439-A701 HydrophobicContact CB-CB 4.03Å; A439-A701 WeakPolarHBondContact O-CB 3.2Å |
| 440 | V | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -56.3 | -48.7 | 176.4 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | V426 M436 N437 S442 F443 V444 V477 W480 L488 I517 | V426-V440 HydrophobicContact CG1-CG1 4.34Å; V426-V440 HydrophobicContact CG2-CG2 4.15Å; M436-V440 WeakPolarHBondContact O-CG2 3.3Å; M436-V440 PolarHBondContact O-N 3.41Å; N437-V440 PolarHBondContact O-N 3.08Å; V440-S442 PolarHBondContact O-N 3.31Å; V440-F443 PolarHBondContact O-N 3.39Å; V440-V444 HydrophobicContact CG1-CG2 4.15Å; V440-V444 WeakPolarHBondContact O-CB 3.4Å; V440-V444 VanDerWaalsContact O-CG2 3.29Å; V440-V444 WeakPolarHBondContact O-CG2 3.18Å; V440-V444 PolarHBondContact O-N 3.37Å; V440-V477 HydrophobicContact CG1-CG1 4.38Å; V440-W480 HydrophobicContact CB-CE3 4.29Å; V440-W480 HydrophobicContact CB-CZ3 4.19Å; V440-W480 HydrophobicContact CG1-CE3 4.13Å; V440-W480 HydrophobicContact CG1-CZ3 3.7Å; V440-L488 HydrophobicContact CG1-CD1 4.06Å; V440-L488 HydrophobicContact CG2-CD1 3.81Å; V440-L488 HydrophobicContact CG2-CG 4.42Å; V440-I517 HydrophobicContact CB-CD1 4.44Å; V440-I517 HydrophobicContact CG2-CD1 3.53Å |
| 441 | R | 95.5 | Very high | 94.3 | Very high | 8 Ų | 8 | 8.9 Ų | 8.9 | 3% | 0.03 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -55.2 | -53.3 | 178.1 | 173.2 | -170.9 | 172.8 | -91.6 | 8.2 | 112.3 | E240 N437 A439 F443 V444 R445 V477 W480 | E240-R441 VanDerWaalsContact CD-CD 3.44Å; E240-R441 VanDerWaalsContact CG-CZ 3.48Å; E240-R441 VanDerWaalsContact CG-NH2 3.34Å; E240-R441 WeakPolarHBondContact OE1-CD 3.41Å; E240-R441 IonicContact OE1-CZ 3.38Å; E240-R441 IonicContact OE1-NE 3.68Å; E240-R441 PolarHBondContact OE1-NE 3.24Å; E240-R441 VanDerWaalsContact OE1-NE 3.09Å; E240-R441 IonicContact OE2-CZ 2.66Å; E240-R441 IonicContact OE2-NE 2.9Å; E240-R441 PolarHBondContact OE2-NE 3.11Å; E240-R441 IonicContact OE2-NH2 3.59Å; E240-R441 PolarHBondContact OE2-NH2 3.33Å; N437-R441 WeakPolarHBondContact O-CB 3.41Å; N437-R441 PolarHBondContact O-N 3.32Å; A439-R441 VanDerWaalsContact C-N 3.32Å; A439-R441 PolarHBondContact O-N 2.92Å; R441-F443 VanDerWaalsContact C-N 3.32Å; R441-F443 PolarHBondContact O-N 2.98Å; R441-V444 PolarHBondContact O-N 3.06Å; R441-R445 PolarHBondContact O-N 3.12Å; R441-V477 HydrophobicContact CB-CB 3.89Å; R441-V477 HydrophobicContact CB-CG2 4.2Å; R441-V477 WeakPolarHBondContact CD-O 3.24Å; R441-V477 HydrophobicContact CG-CB 3.98Å; R441-V477 HydrophobicContact CG-CG2 3.85Å; R441-V477 WeakPolarHBondContact CG-O 3.43Å; R441-W480 HydrophobicContact CB-CB 4.18Å |
| 442 | S | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | -176.7 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | A438 A439 V440 N446 T698 A702 | A438-S442 WeakPolarHBondContact O-CB 3.42Å; A438-S442 PolarHBondContact O-N 2.64Å; A439-S442 PolarHBondContact O-N 3.09Å; V440-S442 PolarHBondContact O-N 3.31Å; S442-N446 WeakPolarHBondContact O-CB 3.49Å; S442-N446 PolarHBondContact O-N 2.92Å; S442-N446 PolarHBondContact O-ND2 3.11Å; S442-N446 PolarHBondContact OG-ND2 3.47Å; S442-T698 WeakPolarHBondContact CB-O 3.49Å; S442-T698 PolarHBondContact OG-O 3.21Å; S442-A702 PolarHBondContact OG-N 3.28Å |
| 443 | F | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.5 | -51.9 | 176.3 | 177.6 | -101.7 | 0 | 0 | 0 | 112.3 | F424 V426 A439 V440 R441 R445 N446 A447 V454 F515 A701 A705 L708 | F424-F443 HydrophobicContact CB-CE1 4.37Å; F424-F443 HydrophobicContact CB-CZ 3.98Å; F424-F443 HydrophobicContact CD2-CZ 4.19Å; F424-F443 HydrophobicContact CG-CZ 4.41Å; V426-F443 HydrophobicContact CB-CD1 3.79Å; V426-F443 HydrophobicContact CB-CE1 3.89Å; V426-F443 HydrophobicContact CG1-CD1 4.17Å; V426-F443 HydrophobicContact CG1-CE1 4.41Å; V426-F443 HydrophobicContact CG2-CD1 4.13Å; A439-F443 WeakPolarHBondContact O-CB 3.27Å; A439-F443 PolarHBondContact O-N 3.1Å; V440-F443 PolarHBondContact O-N 3.39Å; R441-F443 VanDerWaalsContact C-N 3.32Å; R441-F443 PolarHBondContact O-N 2.98Å; F443-R445 PolarHBondContact O-N 3.41Å; F443-N446 PolarHBondContact O-N 2.9Å; F443-A447 HydrophobicContact CZ-CB 4.39Å; F443-A447 WeakPolarHBondContact O-CB 3.38Å; F443-A447 PolarHBondContact O-N 2.79Å; F443-V454 HydrophobicContact CD1-CG1 4.3Å; F443-V454 HydrophobicContact CE1-CG1 3.92Å; F443-F515 HydrophobicContact CB-CD1 3.73Å; F443-F515 HydrophobicContact CB-CE1 3.64Å; F443-F515 HydrophobicContact CD1-CB 4.44Å; F443-F515 AromaticContact CD1-CD1 3.77Å; F443-F515 HydrophobicContact CD1-CD1 3.77Å; F443-F515 HydrophobicContact CD1-CG 4.5Å; F443-F515 HydrophobicContact CD2-CB 4.29Å; F443-F515 AromaticContact CD2-CD1 3.48Å; F443-F515 HydrophobicContact CD2-CD1 3.48Å; F443-F515 VanDerWaalsContact CD2-CD1 3.48Å; F443-F515 AromaticContact CD2-CE1 3.91Å; F443-F515 HydrophobicContact CD2-CE1 3.91Å; F443-F515 AromaticContact CD2-CG 3.92Å; F443-F515 HydrophobicContact CD2-CG 3.92Å; F443-F515 HydrophobicContact CE1-CB 4.08Å; F443-F515 HydrophobicContact CE1-CD1 4.25Å; F443-F515 HydrophobicContact CE2-CB 3.94Å; F443-F515 HydrophobicContact CE2-CD1 4.03Å; F443-F515 HydrophobicContact CE2-CG 4.04Å; F443-F515 AromaticContact CG-CD1 3.34Å; F443-F515 HydrophobicContact CG-CD1 3.34Å; F443-F515 AromaticContact CG-CE1 3.77Å; F443-F515 HydrophobicContact CG-CE1 3.77Å; F443-F515 HydrophobicContact CG-CG 4.17Å; F443-F515 HydrophobicContact CZ-CB 3.82Å; F443-F515 HydrophobicContact CZ-CD1 4.37Å; F443-F515 HydrophobicContact CZ-CG 4.35Å; F443-A701 HydrophobicContact CB-CB 4.25Å; F443-A705 HydrophobicContact CD2-CB 3.74Å; F443-A705 HydrophobicContact CE2-CB 3.96Å; F443-L708 HydrophobicContact CE2-CD1 3.69Å; F443-L708 HydrophobicContact CZ-CD1 3.82Å |
| 444 | V | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -55.6 | -51.9 | -179.8 | 168.7 | 0 | 0 | 0 | 0 | 110.4 | V426 V440 R441 N446 A447 L448 V454 M472 V477 | V426-V444 HydrophobicContact CG1-CG2 4.37Å; V440-V444 HydrophobicContact CG1-CG2 4.15Å; V440-V444 WeakPolarHBondContact O-CB 3.4Å; V440-V444 VanDerWaalsContact O-CG2 3.29Å; V440-V444 WeakPolarHBondContact O-CG2 3.18Å; V440-V444 PolarHBondContact O-N 3.37Å; R441-V444 PolarHBondContact O-N 3.06Å; V444-N446 PolarHBondContact O-N 3.07Å; V444-A447 PolarHBondContact O-N 3.45Å; V444-L448 HydrophobicContact CG1-CD1 3.72Å; V444-L448 HydrophobicContact CG1-CG 4.35Å; V444-L448 WeakPolarHBondContact O-CB 3.27Å; V444-L448 WeakPolarHBondContact O-CG 3.3Å; V444-L448 PolarHBondContact O-N 2.73Å; V444-V454 HydrophobicContact CG2-CG1 3.95Å; V444-M472 HydrophobicContact CG1-CB 3.97Å; V444-M472 HydrophobicContact CG2-CB 4.28Å; V444-M472 HydrophobicContact CG2-CE 4.35Å; V444-M472 HydrophobicContact CG2-CG 4.36Å; V444-V477 HydrophobicContact CB-CG1 4.14Å; V444-V477 HydrophobicContact CB-CG2 4.22Å; V444-V477 HydrophobicContact CG1-CG1 4.21Å; V444-V477 HydrophobicContact CG1-CG2 4.06Å; V444-V477 HydrophobicContact CG2-CG1 4.07Å |
| 445 | R | 91.9 | Very high | 94.3 | Very high | 28 Ų | 28 | 12.3 Ų | 12.3 | 11% | 0.106 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | -179.6 | -77.4 | -171.1 | 157.1 | -169 | -0.2 | 112.8 | L404 R441 F443 S449 W474 V477 | L404-R445 HydrophobicContact CD2-CB 4.14Å; L404-R445 PolarHBondContact O-NH1 2.81Å; R441-R445 PolarHBondContact O-N 3.12Å; F443-R445 PolarHBondContact O-N 3.41Å; R445-S449 WeakPolarHBondContact O-CB 3.15Å; R445-S449 PolarHBondContact O-N 2.97Å; R445-W474 HydrophobicContact CB-CE3 4.35Å; R445-W474 HydrophobicContact CB-CH2 3.96Å; R445-W474 HydrophobicContact CB-CZ2 4.32Å; R445-W474 HydrophobicContact CB-CZ3 3.99Å; R445-W474 HydrophobicContact CG-CD2 4.07Å; R445-W474 HydrophobicContact CG-CE3 4.15Å; R445-W474 HydrophobicContact CG-CH2 4.15Å; R445-W474 HydrophobicContact CG-CZ2 4.05Å; R445-W474 HydrophobicContact CG-CZ3 4.22Å; R445-W474 WeakPolarHBondContact O-CZ3 3.09Å; R445-V477 HydrophobicContact CG-CG2 4.17Å |
| 446 | N | 91.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -67.6 | -44 | -179.8 | -77.3 | -72.1 | 0 | 0 | 0 | 112 | L403 L404 S442 F443 V444 S449 H450 A702 A705 | L403-N446 WeakPolarHBondContact CD2-OD1 3.13Å; L403-N446 VanDerWaalsContact CG-OD1 3.29Å; L403-N446 WeakPolarHBondContact CG-OD1 3.41Å; L404-N446 VanDerWaalsContact CD2-ND2 3.31Å; L404-N446 WeakPolarHBondContact CD2-ND2 3.27Å; S442-N446 WeakPolarHBondContact O-CB 3.49Å; S442-N446 PolarHBondContact O-N 2.92Å; S442-N446 PolarHBondContact O-ND2 3.11Å; S442-N446 PolarHBondContact OG-ND2 3.47Å; F443-N446 PolarHBondContact O-N 2.9Å; V444-N446 PolarHBondContact O-N 3.07Å; N446-S449 WeakPolarHBondContact O-CB 3.29Å; N446-S449 PolarHBondContact O-N 3.21Å; N446-S449 VanDerWaalsContact O-N 3.17Å; N446-S449 PolarHBondContact O-OG 3.36Å; N446-H450 PolarHBondContact O-CD2 2.91Å; N446-H450 PolarHBondContact O-N 3.38Å; N446-A702 WeakPolarHBondContact ND2-CB 3.44Å; N446-A705 HydrophobicContact CB-CB 3.61Å |
| 447 | A | 92.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.4 | -45.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F424 F443 V444 S449 H450 C452 V454 | F424-A447 HydrophobicContact CD2-CB 4.21Å; F443-A447 HydrophobicContact CZ-CB 4.39Å; F443-A447 WeakPolarHBondContact O-CB 3.38Å; F443-A447 PolarHBondContact O-N 2.79Å; V444-A447 PolarHBondContact O-N 3.45Å; A447-S449 VanDerWaalsContact C-N 3.25Å; A447-S449 PolarHBondContact O-N 3.33Å; A447-H450 CarbonylContact O-C 3.6Å; A447-H450 WeakPolarHBondContact O-CA 3.38Å; A447-H450 PolarHBondContact O-N 3.29Å; A447-C452 HydrophobicContact CB-CB 4.4Å; A447-C452 WeakPolarHBondContact O-CB 3.38Å; A447-C452 PolarHBondContact O-N 3.06Å; A447-V454 HydrophobicContact CB-CG2 3.51Å |
| 448 | L | 91.4 | Very high | 94.5 | Very high | 25 Ų | 25 | 16.9 Ų | 16.9 | 13% | 0.131 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.2 | -36.9 | 173.5 | -68.5 | 174.2 | 0 | 0 | 0 | 111.6 | P409 V444 H450 G451 C452 V454 W474 | P409-L448 WeakPolarHBondContact CB-O 3.22Å; P409-L448 WeakPolarHBondContact CG-O 3.23Å; V444-L448 HydrophobicContact CG1-CD1 3.72Å; V444-L448 HydrophobicContact CG1-CG 4.35Å; V444-L448 WeakPolarHBondContact O-CB 3.27Å; V444-L448 WeakPolarHBondContact O-CG 3.3Å; V444-L448 PolarHBondContact O-N 2.73Å; L448-H450 PolarHBondContact O-N 3.38Å; L448-G451 PolarHBondContact O-N 2.92Å; L448-C452 WeakPolarHBondContact CD2-O 3.36Å; L448-V454 HydrophobicContact CD2-CG2 4.36Å; L448-V454 HydrophobicContact CG-CG2 4.36Å; L448-W474 HydrophobicContact CB-CE3 4.19Å; L448-W474 HydrophobicContact CD1-CB 4.32Å; L448-W474 HydrophobicContact CD1-CE3 4.4Å |
| 449 | S | 86.1 | Confident | 94.5 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63 | -19.8 | 175.6 | 88.7 | 0 | 0 | 0 | 0 | 113.6 | P410 R445 N446 A447 | P410-S449 VanDerWaalsContact CD-O 3.32Å; P410-S449 WeakPolarHBondContact CD-O 3.15Å; P410-S449 WeakPolarHBondContact CG-O 3.14Å; R445-S449 WeakPolarHBondContact O-CB 3.15Å; R445-S449 PolarHBondContact O-N 2.97Å; N446-S449 WeakPolarHBondContact O-CB 3.29Å; N446-S449 PolarHBondContact O-N 3.21Å; N446-S449 VanDerWaalsContact O-N 3.17Å; N446-S449 PolarHBondContact O-OG 3.36Å; A447-S449 VanDerWaalsContact C-N 3.25Å; A447-S449 PolarHBondContact O-N 3.33Å |
| 450 | H | 87.3 | Confident | 94.5 | Very high | 10 Ų | 10 | 20.1 Ų | 20.1 | 5% | 0.046 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 17 | 173.9 | -62.7 | -45.4 | 0 | 0 | 0 | 113.3 | I415 S417 N446 A447 L448 C452 V709 | I415-H450 HydrophobicContact CG2-CB 4.41Å; I415-H450 VanDerWaalsContact CG2-O 3.31Å; I415-H450 WeakPolarHBondContact CG2-O 3.35Å; S417-H450 WeakPolarHBondContact CB-O 3.14Å; S417-H450 PolarHBondContact OG-O 2.64Å; S417-H450 VanDerWaalsContact OG-O 3.14Å; N446-H450 PolarHBondContact O-CD2 2.91Å; N446-H450 PolarHBondContact O-N 3.38Å; A447-H450 CarbonylContact O-C 3.6Å; A447-H450 WeakPolarHBondContact O-CA 3.38Å; A447-H450 PolarHBondContact O-N 3.29Å; L448-H450 PolarHBondContact O-N 3.38Å; H450-C452 PolarHBondContact O-N 3.24Å; H450-V709 HydrophobicContact CB-CG1 4.47Å; H450-V709 HydrophobicContact CB-CG2 4.04Å |
| 451 | G | 87.2 | Confident | 94.5 | Very high | 38 Ų | 38 | 20.1 Ų | 20.1 | 39% | 0.392 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 13.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L448 | L448-G451 PolarHBondContact O-N 2.92Š|
| 452 | C | 93 | Very high | 94.6 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.034 | 11% | 0.106 | C | C | . | . | trans | -82 | 153.2 | 176 | -55.8 | 0 | 0 | 0 | 0 | 110.1 | F422 F424 A447 L448 H450 | F422-C452 CarbonylContact O-C 3.55Å; F422-C452 VanDerWaalsContact O-CA 3.27Å; F422-C452 WeakPolarHBondContact O-CA 3.15Å; F422-C452 WeakPolarHBondContact O-CB 3.37Å; F424-C452 HydrophobicContact CD2-CB 4.09Å; F424-C452 HydrophobicContact CE2-CB 4.08Å; A447-C452 HydrophobicContact CB-CB 4.4Å; A447-C452 WeakPolarHBondContact O-CB 3.38Å; A447-C452 PolarHBondContact O-N 3.06Å; L448-C452 WeakPolarHBondContact CD2-O 3.36Å; H450-C452 PolarHBondContact O-N 3.24Å | ||
| 453 | R | 96.1 | Very high | 94.8 | Very high | 114 Ų | 114 | 21.3 Ų | 21.3 | 43% | 0.43 | 11% | 0.106 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 142.8 | 166.9 | -169.9 | 178.9 | -170.8 | 178 | 5 | 109.1 | F422 T423 F424 Y455 D471 | F422-R453 PolarHBondContact O-N 3.39Å; T423-R453 CarbonylContact C-O 3.53Å; T423-R453 WeakPolarHBondContact CA-O 3.35Å; F424-R453 PolarHBondContact N-O 3.09Å; R453-Y455 PolarHBondContact NH1-OH 2.82Å; R453-Y455 PolarHBondContact NH2-OH 2.91Å; R453-D471 IonicContact CZ-OD1 2.62Å; R453-D471 IonicContact CZ-OD2 2.73Å; R453-D471 VanDerWaalsContact CZ-OD2 3.29Å; R453-D471 IonicContact NE-OD1 3.99Å; R453-D471 PolarHBondContact NE-OD1 3.22Å; R453-D471 VanDerWaalsContact NE-OD1 3.09Å; R453-D471 IonicContact NE-OD2 3.42Å; R453-D471 PolarHBondContact NE-OD2 3.29Å; R453-D471 VanDerWaalsContact NE-OD2 3.1Å; R453-D471 IonicContact NH2-OD1 3.98Å; R453-D471 IonicContact NH2-OD2 2.8Å; R453-D471 PolarHBondContact NH2-OD2 2.65Å |
| 454 | V | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 125.7 | -178.5 | -174 | 0 | 0 | 0 | 0 | 110.6 | F424 V426 F443 V444 A447 L448 M472 | F424-V454 CarbonylContact O-C 3.51Å; F424-V454 WeakPolarHBondContact O-CA 3.41Å; V426-V454 HydrophobicContact CG1-CG1 4.12Å; F443-V454 HydrophobicContact CD1-CG1 4.3Å; F443-V454 HydrophobicContact CE1-CG1 3.92Å; V444-V454 HydrophobicContact CG2-CG1 3.95Å; A447-V454 HydrophobicContact CB-CG2 3.51Å; L448-V454 HydrophobicContact CD2-CG2 4.36Å; L448-V454 HydrophobicContact CG-CG2 4.36Å; V454-M472 HydrophobicContact CB-CB 4.37Å; V454-M472 WeakPolarHBondContact O-CB 3.37Å; V454-M472 PolarHBondContact O-N 3.17Å |
| 455 | Y | 98.7 | Very high | 94.9 | Very high | 27 Ų | 27 | 22.7 Ų | 22.7 | 11% | 0.106 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 136.9 | 166.8 | -74 | -75.2 | 0 | 0 | 0 | 111.2 | T423 F424 A425 V426 R453 F469 K470 D471 F509 I511 | T423-Y455 HydrophobicContact CG2-CD2 3.63Å; T423-Y455 HydrophobicContact CG2-CE2 3.64Å; F424-Y455 PolarHBondContact O-N 3.28Å; A425-Y455 CarbonylContact C-O 3.57Å; A425-Y455 VanDerWaalsContact CA-O 3.24Å; A425-Y455 WeakPolarHBondContact CA-O 3.45Å; V426-Y455 PolarHBondContact N-O 3.15Å; R453-Y455 PolarHBondContact NH1-OH 2.82Å; R453-Y455 PolarHBondContact NH2-OH 2.91Å; Y455-F469 HydrophobicContact CD1-CB 4.04Å; Y455-F469 HydrophobicContact CD1-CD1 4.33Å; Y455-F469 HydrophobicContact CG-CD1 4.01Å; Y455-K470 CarbonylContact C-O 3.58Å; Y455-K470 WeakPolarHBondContact CA-O 3.48Å; Y455-D471 HydrophobicContact CD1-CB 4.12Å; Y455-D471 HydrophobicContact CE1-CB 3.75Å; Y455-F509 HydrophobicContact CD1-CD1 4.49Å; Y455-F509 HydrophobicContact CE1-CD1 4.1Å; Y455-F509 HydrophobicContact CE1-CE1 4.33Å; Y455-F509 HydrophobicContact CE2-CD1 4.18Å; Y455-F509 AromaticContact CZ-CD1 3.93Å; Y455-I511 HydrophobicContact CD2-CD1 3.98Å |
| 456 | A | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V426 F469 K470 M472 L488 | V426-A456 HydrophobicContact CG1-CB 4.2Å; V426-A456 WeakPolarHBondContact O-CA 3.33Å; A456-F469 CarbonylContact O-C 3.48Å; A456-F469 WeakPolarHBondContact O-CA 3.47Å; A456-K470 PolarHBondContact N-O 2.89Å; A456-K470 PolarHBondContact O-N 3.4Å; A456-M472 HydrophobicContact CB-CE 4.32Å; A456-M472 HydrophobicContact CB-CG 3.61Å; A456-M472 HydrophobicContact CB-SD 3.44Å; A456-M472 WeakPolarHBondContact CB-SD 3.18Å; A456-L488 HydrophobicContact CB-CD1 3.97Å; A456-L488 HydrophobicContact CB-CD2 3.61Å; A456-L488 HydrophobicContact CB-CG 4.46Å |
| 457 | I | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.7 | 175 | -56.8 | 157.4 | 0 | 0 | 0 | 108 | A425 V426 M427 S460 L464 F469 L514 | A425-I457 HydrophobicContact CB-CD1 3.81Å; A425-I457 HydrophobicContact CB-CG1 4.35Å; V426-I457 PolarHBondContact O-N 2.8Å; M427-I457 HydrophobicContact CB-CB 3.92Å; M427-I457 HydrophobicContact CB-CD1 4.32Å; M427-I457 HydrophobicContact CG-CD1 4.48Å; M427-I457 HydrophobicContact SD-CB 4.45Å; M427-I457 HydrophobicContact SD-CD1 3.99Å; M427-I457 HydrophobicContact SD-CG2 4.38Å; I457-S460 WeakPolarHBondContact CG2-O 3.41Å; I457-L464 HydrophobicContact CD1-CD1 3.89Å; I457-L464 HydrophobicContact CD1-CG 4.22Å; I457-L464 HydrophobicContact CG2-CB 3.74Å; I457-L464 HydrophobicContact CG2-CG 4.24Å; I457-F469 HydrophobicContact CD1-CE1 3.87Å; I457-F469 HydrophobicContact CD1-CZ 3.92Å; I457-F469 HydrophobicContact CG1-CD1 3.83Å; I457-F469 HydrophobicContact CG1-CE1 3.49Å; I457-F469 VanDerWaalsContact CG1-CE1 3.49Å; I457-F469 HydrophobicContact CG1-CE2 4.22Å; I457-F469 HydrophobicContact CG1-CG 4.32Å; I457-F469 HydrophobicContact CG1-CZ 3.7Å; I457-L514 HydrophobicContact CD1-CD1 4.28Å |
| 458 | K | 98 | Very high | 95.7 | Very high | 96 Ų | 96 | 32.4 Ų | 32.4 | 42% | 0.417 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 149 | 176.3 | -65 | -172.4 | 176.7 | -176.3 | 0 | 111.2 | S460 G463 C468 L488 | K458-S460 VanDerWaalsContact C-N 3.26Å; K458-S460 PolarHBondContact O-N 3.14Å; K458-G463 WeakPolarHBondContact O-CA 3.39Å; K458-C468 HydrophobicContact CB-CB 4.22Å; K458-C468 PolarHBondContact N-O 3.17Å; K458-L488 CarbonylContact C-O 3.53Å; K458-L488 WeakPolarHBondContact CA-O 3.34Å |
| 459 | D | 97.6 | Very high | 96 | Very high | 69 Ų | 69 | 32.7 Ų | 32.7 | 37% | 0.369 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 37.9 | 172.1 | -58.8 | -50.2 | 0 | 0 | 0 | 114.6 | D462 G463 L488 Q491 | D459-D462 WeakPolarHBondContact O-CB 3.29Å; D459-D462 PolarHBondContact O-N 3.21Å; D459-G463 PolarHBondContact O-N 3.34Å; D459-L488 PolarHBondContact N-O 2.79Å; D459-Q491 HydrophobicContact CB-CG 4.43Å |
| 460 | S | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | 56.1 | -140.6 | 174.4 | -45.4 | 0 | 0 | 0 | 0 | 112.5 | N428 I457 K458 D462 G463 L464 T490 Q491 | N428-S460 WeakPolarHBondContact O-CB 3.43Å; N428-S460 PolarHBondContact O-OG 2.97Å; I457-S460 WeakPolarHBondContact CG2-O 3.41Å; K458-S460 VanDerWaalsContact C-N 3.26Å; K458-S460 PolarHBondContact O-N 3.14Å; S460-D462 PolarHBondContact O-N 3.45Å; S460-G463 PolarHBondContact O-N 2.92Å; S460-L464 WeakPolarHBondContact O-CB 3.38Å; S460-L464 PolarHBondContact O-N 3.15Å; S460-T490 WeakPolarHBondContact OG-CA 3.1Å; S460-Q491 PolarHBondContact OG-N 3.44Å; S460-Q491 PolarHBondContact OG-O 3.24Å |
| 461 | F | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -26.2 | 177.3 | -68.5 | -79.4 | 0 | 0 | 0 | 113.2 | M427 V429 L464 I465 S493 P495 V502 L516 S525 M529 | M427-F461 HydrophobicContact CE-CD1 4.02Å; M427-F461 HydrophobicContact CE-CD2 4.24Å; M427-F461 HydrophobicContact CE-CE1 3.41Å; M427-F461 VanDerWaalsContact CE-CE1 3.41Å; M427-F461 HydrophobicContact CE-CE2 3.67Å; M427-F461 HydrophobicContact CE-CG 4.41Å; M427-F461 HydrophobicContact CE-CZ 3.21Å; V429-F461 HydrophobicContact CG1-CD2 4.33Å; V429-F461 HydrophobicContact CG1-CE2 4.12Å; V429-F461 HydrophobicContact CG2-CD2 4.35Å; V429-F461 HydrophobicContact CG2-CE2 3.93Å; F461-L464 HydrophobicContact CD1-CD1 4.1Å; F461-L464 HydrophobicContact CE1-CD1 4.29Å; F461-L464 PolarHBondContact O-N 3.35Å; F461-I465 WeakPolarHBondContact O-CB 3.42Å; F461-I465 VanDerWaalsContact O-CD1 3.3Å; F461-I465 WeakPolarHBondContact O-CD1 3.46Å; F461-I465 WeakPolarHBondContact O-CG1 3.43Å; F461-I465 PolarHBondContact O-N 3.42Å; F461-S493 WeakPolarHBondContact CD2-O 3.31Å; F461-P495 HydrophobicContact CD1-CB 3.83Å; F461-P495 HydrophobicContact CE1-CB 3.59Å; F461-P495 HydrophobicContact CE1-CG 4.03Å; F461-P495 HydrophobicContact CZ-CB 4.13Å; F461-P495 HydrophobicContact CZ-CG 4.06Å; F461-V502 HydrophobicContact CD1-CG2 4.17Å; F461-L516 HydrophobicContact CZ-CD2 4.38Å; F461-S525 VanDerWaalsContact CE2-CB 3.48Å; F461-S525 VanDerWaalsContact CE2-OG 3.22Å; F461-S525 WeakPolarHBondContact CE2-OG 3.45Å; F461-M529 HydrophobicContact CE1-SD 4.3Å; F461-M529 HydrophobicContact CZ-CE 4.21Å |
| 462 | D | 97.7 | Very high | 97.5 | Very high | 32 Ų | 32 | 37.6 Ų | 37.6 | 17% | 0.171 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.1 | -40.7 | 178.6 | -67.7 | -46.6 | 0 | 0 | 0 | 112.1 | D459 S460 K466 S493 K497 | D459-D462 WeakPolarHBondContact O-CB 3.29Å; D459-D462 PolarHBondContact O-N 3.21Å; S460-D462 PolarHBondContact O-N 3.45Å; D462-K466 WeakPolarHBondContact O-CD 3.49Å; D462-K466 WeakPolarHBondContact O-CG 3.28Å; D462-S493 PolarHBondContact OD1-OG 3.45Å; D462-S493 WeakPolarHBondContact OD2-CB 3.44Å; D462-S493 PolarHBondContact OD2-OG 3.17Å; D462-K497 VanDerWaalsContact OD1-CD 3.31Å; D462-K497 WeakPolarHBondContact OD1-CD 3.44Å; D462-K497 WeakPolarHBondContact OD1-CE 3.44Å; D462-K497 IonicContact OD1-NZ 3.07Å; D462-K497 PolarHBondContact OD1-NZ 3.24Å |
| 463 | G | 97.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -79.9 | -29.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | K458 D459 S460 I465 K466 G467 C468 | K458-G463 WeakPolarHBondContact O-CA 3.39Å; D459-G463 PolarHBondContact O-N 3.34Å; S460-G463 PolarHBondContact O-N 2.92Å; G463-I465 PolarHBondContact O-N 2.9Å; G463-K466 CarbonylContact O-C 3.57Å; G463-K466 PolarHBondContact O-N 2.85Å; G463-K466 VanDerWaalsContact O-N 3.13Å; G463-G467 PolarHBondContact O-N 2.94Å; G463-C468 WeakPolarHBondContact O-CB 3.25Å; G463-C468 PolarHBondContact O-N 3.21Å |
| 464 | L | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.3 | -52.4 | 171.5 | -161.4 | 164.2 | 0 | 0 | 0 | 110.8 | M427 I457 S460 F461 K466 G467 F469 V502 Q505 | M427-L464 HydrophobicContact CE-CD1 4.06Å; M427-L464 HydrophobicContact SD-CD1 4.17Å; I457-L464 HydrophobicContact CD1-CD1 3.89Å; I457-L464 HydrophobicContact CD1-CG 4.22Å; I457-L464 HydrophobicContact CG2-CB 3.74Å; I457-L464 HydrophobicContact CG2-CG 4.24Å; S460-L464 WeakPolarHBondContact O-CB 3.38Å; S460-L464 PolarHBondContact O-N 3.15Å; F461-L464 HydrophobicContact CD1-CD1 4.1Å; F461-L464 HydrophobicContact CE1-CD1 4.29Å; F461-L464 PolarHBondContact O-N 3.35Å; L464-K466 PolarHBondContact O-N 3.17Å; L464-G467 PolarHBondContact O-N 3.38Å; L464-F469 HydrophobicContact CG-CE2 4.35Å; L464-F469 HydrophobicContact CG-CZ 4.22Å; L464-V502 HydrophobicContact CD1-CG1 4.24Å; L464-V502 HydrophobicContact CD2-CB 3.99Å; L464-V502 HydrophobicContact CD2-CG1 3.85Å; L464-V502 HydrophobicContact CD2-CG2 4.03Å; L464-Q505 HydrophobicContact CD2-CB 3.9Å; L464-Q505 WeakPolarHBondContact O-CG 3.43Å |
| 465 | I | 97.9 | Very high | 96.4 | Very high | 27 Ų | 27 | 40 Ų | 40 | 14% | 0.138 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.1 | -35.7 | 178.6 | -71.1 | 162.8 | 0 | 0 | 0 | 111.3 | F461 G463 G467 K497 N498 Q501 V502 | F461-I465 WeakPolarHBondContact O-CB 3.42Å; F461-I465 VanDerWaalsContact O-CD1 3.3Å; F461-I465 WeakPolarHBondContact O-CD1 3.46Å; F461-I465 WeakPolarHBondContact O-CG1 3.43Å; F461-I465 PolarHBondContact O-N 3.42Å; G463-I465 PolarHBondContact O-N 2.9Å; I465-G467 VanDerWaalsContact C-N 3.34Å; I465-K497 HydrophobicContact CD1-CB 4.29Å; I465-K497 HydrophobicContact CD1-CG 4.43Å; I465-N498 HydrophobicContact CD1-CB 3.72Å; I465-N498 HydrophobicContact CG1-CB 4.08Å; I465-N498 HydrophobicContact CG2-CB 4.22Å; I465-Q501 HydrophobicContact CB-CG 4.24Å; I465-Q501 HydrophobicContact CG2-CB 4.1Å; I465-Q501 HydrophobicContact CG2-CG 3.73Å; I465-Q501 WeakPolarHBondContact O-CG 3.33Å; I465-Q501 PolarHBondContact O-NE2 2.82Å; I465-Q501 VanDerWaalsContact O-NE2 3.13Å; I465-V502 HydrophobicContact CD1-CG2 4.45Å; I465-V502 HydrophobicContact CG1-CG2 3.87Å |
| 466 | K | 97.2 | Very high | 96 | Very high | 162 Ų | 162 | 41.1 Ų | 41.1 | 70% | 0.704 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -4.5 | 178.9 | -65.8 | 172.8 | -173.9 | 175.9 | 0 | 114 | D462 G463 L464 | D462-K466 WeakPolarHBondContact O-CD 3.49Å; D462-K466 WeakPolarHBondContact O-CG 3.28Å; G463-K466 CarbonylContact O-C 3.57Å; G463-K466 PolarHBondContact O-N 2.85Å; G463-K466 VanDerWaalsContact O-N 3.13Å; L464-K466 PolarHBondContact O-N 3.17Å |
| 467 | G | 96.3 | Very high | 95.7 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 26 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G463 L464 I465 F469 | G463-G467 PolarHBondContact O-N 2.94Å; L464-G467 PolarHBondContact O-N 3.38Å; I465-G467 VanDerWaalsContact C-N 3.34Å; G467-F469 VanDerWaalsContact C-N 3.27Å; G467-F469 PolarHBondContact O-N 3.3Å |
| 468 | C | 97.7 | Very high | 95.2 | Very high | 49 Ų | 49 | 42.4 Ų | 42.4 | 33% | 0.331 | 22% | 0.216 | S | C | . | . | trans | -78.7 | 65.5 | -178.6 | -60.2 | 0 | 0 | 0 | 0 | 113.2 | K458 G463 | K458-C468 HydrophobicContact CB-CB 4.22Å; K458-C468 PolarHBondContact N-O 3.17Å; G463-C468 WeakPolarHBondContact O-CB 3.25Å; G463-C468 PolarHBondContact O-N 3.21Å | ||
| 469 | F | 97.9 | Very high | 94.6 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 142.2 | 176.7 | -71.6 | -115.9 | 0 | 0 | 0 | 110.8 | A425 Y455 A456 I457 L464 G467 Q505 F509 I511 | A425-F469 HydrophobicContact CB-CE1 4.47Å; Y455-F469 HydrophobicContact CD1-CB 4.04Å; Y455-F469 HydrophobicContact CD1-CD1 4.33Å; Y455-F469 HydrophobicContact CG-CD1 4.01Å; A456-F469 CarbonylContact O-C 3.48Å; A456-F469 WeakPolarHBondContact O-CA 3.47Å; I457-F469 HydrophobicContact CD1-CE1 3.87Å; I457-F469 HydrophobicContact CD1-CZ 3.92Å; I457-F469 HydrophobicContact CG1-CD1 3.83Å; I457-F469 HydrophobicContact CG1-CE1 3.49Å; I457-F469 VanDerWaalsContact CG1-CE1 3.49Å; I457-F469 HydrophobicContact CG1-CE2 4.22Å; I457-F469 HydrophobicContact CG1-CG 4.32Å; I457-F469 HydrophobicContact CG1-CZ 3.7Å; L464-F469 HydrophobicContact CG-CE2 4.35Å; L464-F469 HydrophobicContact CG-CZ 4.22Å; G467-F469 VanDerWaalsContact C-N 3.27Å; G467-F469 PolarHBondContact O-N 3.3Å; F469-Q505 HydrophobicContact CE2-CB 4.3Å; F469-F509 HydrophobicContact CB-CD1 4.18Å; F469-F509 HydrophobicContact CB-CE1 3.71Å; F469-F509 HydrophobicContact CB-CE2 4.17Å; F469-F509 HydrophobicContact CB-CZ 3.71Å; F469-F509 HydrophobicContact CD1-CB 4.33Å; F469-F509 HydrophobicContact CD1-CD1 4.11Å; F469-F509 AromaticContact CD1-CD2 3.98Å; F469-F509 HydrophobicContact CD1-CD2 3.98Å; F469-F509 HydrophobicContact CD1-CE1 4.44Å; F469-F509 HydrophobicContact CD1-CE2 4.33Å; F469-F509 AromaticContact CD1-CG 3.87Å; F469-F509 HydrophobicContact CD1-CG 3.87Å; F469-F509 AromaticContact CD2-CD2 3.64Å; F469-F509 HydrophobicContact CD2-CD2 3.64Å; F469-F509 HydrophobicContact CD2-CE1 4.41Å; F469-F509 AromaticContact CD2-CE2 3.33Å; F469-F509 HydrophobicContact CD2-CE2 3.33Å; F469-F509 HydrophobicContact CD2-CG 4.32Å; F469-F509 AromaticContact CD2-CZ 3.77Å; F469-F509 HydrophobicContact CD2-CZ 3.77Å; F469-F509 HydrophobicContact CE1-CB 4.2Å; F469-F509 HydrophobicContact CE1-CD2 4.03Å; F469-F509 HydrophobicContact CE1-CG 4.08Å; F469-F509 AromaticContact CE2-CD2 3.69Å; F469-F509 HydrophobicContact CE2-CD2 3.69Å; F469-F509 AromaticContact CE2-CE2 3.73Å; F469-F509 HydrophobicContact CE2-CE2 3.73Å; F469-F509 HydrophobicContact CG-CD1 4.09Å; F469-F509 AromaticContact CG-CD2 3.83Å; F469-F509 HydrophobicContact CG-CD2 3.83Å; F469-F509 AromaticContact CG-CE1 3.97Å; F469-F509 HydrophobicContact CG-CE1 3.97Å; F469-F509 AromaticContact CG-CE2 3.7Å; F469-F509 HydrophobicContact CG-CE2 3.7Å; F469-F509 HydrophobicContact CG-CG 4.03Å; F469-F509 AromaticContact CG-CZ 3.78Å; F469-F509 HydrophobicContact CG-CZ 3.78Å; F469-F509 AromaticContact CZ-CD2 3.89Å; F469-F509 HydrophobicContact CZ-CD2 3.89Å; F469-F509 HydrophobicContact CZ-CE2 4.39Å; F469-F509 HydrophobicContact CZ-CG 4.4Å; F469-I511 HydrophobicContact CE1-CD1 4.18Å; F469-I511 HydrophobicContact CE1-CG1 4.34Å |
| 470 | K | 97.9 | Very high | 94.4 | Very high | 75 Ų | 75 | 37.4 Ų | 37.4 | 33% | 0.326 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123.6 | 167.6 | 178.6 | -178.6 | 172.9 | -173.4 | 0 | 108.6 | Y455 A456 M472 D476 | Y455-K470 CarbonylContact C-O 3.58Å; Y455-K470 WeakPolarHBondContact CA-O 3.48Å; A456-K470 PolarHBondContact N-O 2.89Å; A456-K470 PolarHBondContact O-N 3.4Å; K470-M472 HydrophobicContact CB-SD 4.31Å; K470-M472 HydrophobicContact CD-SD 3.8Å; K470-M472 HydrophobicContact CG-SD 3.93Å; K470-M472 PolarHBondContact O-N 2.82Å; K470-D476 WeakPolarHBondContact CE-OD1 3.26Å; K470-D476 WeakPolarHBondContact CE-OD2 3.42Å; K470-D476 IonicContact NZ-OD1 3.21Å; K470-D476 PolarHBondContact NZ-OD1 3.31Å; K470-D476 IonicContact NZ-OD2 3.89Å |
| 471 | D | 97.9 | Very high | 94.1 | Very high | 72 Ų | 72 | 37.5 Ų | 37.5 | 39% | 0.385 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 125.8 | 169.4 | -162.5 | 13.3 | 0 | 0 | 0 | 108.7 | R453 Y455 | R453-D471 IonicContact CZ-OD1 2.62Å; R453-D471 IonicContact CZ-OD2 2.73Å; R453-D471 VanDerWaalsContact CZ-OD2 3.29Å; R453-D471 IonicContact NE-OD1 3.99Å; R453-D471 PolarHBondContact NE-OD1 3.22Å; R453-D471 VanDerWaalsContact NE-OD1 3.09Å; R453-D471 IonicContact NE-OD2 3.42Å; R453-D471 PolarHBondContact NE-OD2 3.29Å; R453-D471 VanDerWaalsContact NE-OD2 3.1Å; R453-D471 IonicContact NH2-OD1 3.98Å; R453-D471 IonicContact NH2-OD2 2.8Å; R453-D471 PolarHBondContact NH2-OD2 2.65Å; Y455-D471 HydrophobicContact CD1-CB 4.12Å; Y455-D471 HydrophobicContact CE1-CB 3.75Å |
| 472 | M | 96.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -102.4 | 126.4 | -170.2 | -61.3 | -63.1 | -68.4 | 0 | 0 | 110.8 | V444 V454 A456 K470 D476 V477 W480 | V444-M472 HydrophobicContact CG1-CB 3.97Å; V444-M472 HydrophobicContact CG2-CB 4.28Å; V444-M472 HydrophobicContact CG2-CE 4.35Å; V444-M472 HydrophobicContact CG2-CG 4.36Å; V454-M472 HydrophobicContact CB-CB 4.37Å; V454-M472 WeakPolarHBondContact O-CB 3.37Å; V454-M472 PolarHBondContact O-N 3.17Å; A456-M472 HydrophobicContact CB-CE 4.32Å; A456-M472 HydrophobicContact CB-CG 3.61Å; A456-M472 HydrophobicContact CB-SD 3.44Å; A456-M472 WeakPolarHBondContact CB-SD 3.18Å; K470-M472 HydrophobicContact CB-SD 4.31Å; K470-M472 HydrophobicContact CD-SD 3.8Å; K470-M472 HydrophobicContact CG-SD 3.93Å; K470-M472 PolarHBondContact O-N 2.82Å; M472-D476 HydrophobicContact CE-CB 3.69Å; M472-D476 HydrophobicContact SD-CB 4.43Å; M472-V477 HydrophobicContact CE-CG1 3.44Å; M472-V477 VanDerWaalsContact CE-CG1 3.44Å; M472-W480 HydrophobicContact CE-CH2 4.38Å |
| 473 | D | 92 | Very high | 93.5 | Very high | 93 Ų | 93 | 41.3 Ų | 41.3 | 50% | 0.497 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -101.1 | 166.8 | 169.1 | -170.3 | 24.9 | 0 | 0 | 0 | 111.5 | H475 D476 | D473-H475 PolarHBondContact O-N 3.12Å; D473-H475 VanDerWaalsContact O-N 3.09Å; D473-H475 IonicContact OD2-ND1 3.26Å; D473-D476 PolarHBondContact N-OD2 2.82Å; D473-D476 WeakPolarHBondContact O-CB 3.39Å; D473-D476 PolarHBondContact O-N 3.42Å; D473-D476 VanDerWaalsContact O-N 3.13Å |
| 474 | W | 86.3 | Confident | 93.4 | Very high | 11 Ų | 11 | 42 Ų | 42 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -34 | -178.9 | -171.4 | -90.5 | 0 | 0 | 0 | 113.7 | K406 I407 P409 R445 L448 | K406-W474 WeakPolarHBondContact O-CZ2 3.45Å; I407-W474 PolarHBondContact O-NE1 2.68Å; P409-W474 HydrophobicContact CG-CE3 4.2Å; P409-W474 HydrophobicContact CG-CZ3 4.29Å; R445-W474 HydrophobicContact CB-CE3 4.35Å; R445-W474 HydrophobicContact CB-CH2 3.96Å; R445-W474 HydrophobicContact CB-CZ2 4.32Å; R445-W474 HydrophobicContact CB-CZ3 3.99Å; R445-W474 HydrophobicContact CG-CD2 4.07Å; R445-W474 HydrophobicContact CG-CE3 4.15Å; R445-W474 HydrophobicContact CG-CH2 4.15Å; R445-W474 HydrophobicContact CG-CZ2 4.05Å; R445-W474 HydrophobicContact CG-CZ3 4.22Å; R445-W474 WeakPolarHBondContact O-CZ3 3.09Å; L448-W474 HydrophobicContact CB-CE3 4.19Å; L448-W474 HydrophobicContact CD1-CB 4.32Å; L448-W474 HydrophobicContact CD1-CE3 4.4Å |
| 475 | H | 86 | Confident | 93.2 | Very high | 64 Ų | 64 | 43.3 Ų | 43.3 | 30% | 0.296 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -16.1 | -174.6 | -57.1 | 89.1 | 0 | 0 | 0 | 113.7 | H269 D473 V477 T478 | H269-H475 WeakPolarHBondContact CB-NE2 3.41Å; H269-H475 AromaticContact CD2-CE1 3.89Å; H269-H475 AromaticContact CG-NE2 3.85Å; H269-H475 PolarHBondContact O-CD2 2.73Å; D473-H475 PolarHBondContact O-N 3.12Å; D473-H475 VanDerWaalsContact O-N 3.09Å; D473-H475 IonicContact OD2-ND1 3.26Å; H475-V477 PolarHBondContact O-N 2.9Å; H475-T478 WeakPolarHBondContact O-CB 3.16Å; H475-T478 PolarHBondContact O-N 3.49Å; H475-T478 PolarHBondContact O-OG1 3.03Å; H475-T478 VanDerWaalsContact O-OG1 3.05Å |
| 476 | D | 91 | Very high | 93.2 | Very high | 51 Ų | 51 | 43.2 Ų | 43.2 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -24.4 | -177.1 | -82 | -45.8 | 0 | 0 | 0 | 113.3 | K470 M472 D473 W480 | K470-D476 WeakPolarHBondContact CE-OD1 3.26Å; K470-D476 WeakPolarHBondContact CE-OD2 3.42Å; K470-D476 IonicContact NZ-OD1 3.21Å; K470-D476 PolarHBondContact NZ-OD1 3.31Å; K470-D476 IonicContact NZ-OD2 3.89Å; M472-D476 HydrophobicContact CE-CB 3.69Å; M472-D476 HydrophobicContact SD-CB 4.43Å; D473-D476 PolarHBondContact N-OD2 2.82Å; D473-D476 WeakPolarHBondContact O-CB 3.39Å; D473-D476 PolarHBondContact O-N 3.42Å; D473-D476 VanDerWaalsContact O-N 3.13Å; D476-W480 VanDerWaalsContact O-CE2 3.27Å; D476-W480 WeakPolarHBondContact O-CZ2 3.47Å; D476-W480 PolarHBondContact O-NE1 2.76Å |
| 477 | V | 92 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | 12.6 | -175.5 | -64.4 | 0 | 0 | 0 | 0 | 113.6 | V440 R441 V444 R445 M472 H475 W480 | V440-V477 HydrophobicContact CG1-CG1 4.38Å; R441-V477 HydrophobicContact CB-CB 3.89Å; R441-V477 HydrophobicContact CB-CG2 4.2Å; R441-V477 WeakPolarHBondContact CD-O 3.24Å; R441-V477 HydrophobicContact CG-CB 3.98Å; R441-V477 HydrophobicContact CG-CG2 3.85Å; R441-V477 WeakPolarHBondContact CG-O 3.43Å; V444-V477 HydrophobicContact CB-CG1 4.14Å; V444-V477 HydrophobicContact CB-CG2 4.22Å; V444-V477 HydrophobicContact CG1-CG1 4.21Å; V444-V477 HydrophobicContact CG1-CG2 4.06Å; V444-V477 HydrophobicContact CG2-CG1 4.07Å; R445-V477 HydrophobicContact CG-CG2 4.17Å; M472-V477 HydrophobicContact CE-CG1 3.44Å; M472-V477 VanDerWaalsContact CE-CG1 3.44Å; H475-V477 PolarHBondContact O-N 2.9Å; V477-W480 VanDerWaalsContact C-CD1 3.44Å; V477-W480 HydrophobicContact CB-CD2 4.16Å; V477-W480 HydrophobicContact CB-CG 4.28Å; V477-W480 HydrophobicContact CG1-CD2 4.16Å; V477-W480 HydrophobicContact CG1-CE3 4.16Å; V477-W480 HydrophobicContact CG1-CH2 4.46Å; V477-W480 HydrophobicContact CG1-CZ2 4.45Å; V477-W480 HydrophobicContact CG1-CZ3 4.33Å; V477-W480 WeakPolarHBondContact O-CB 3.4Å; V477-W480 PolarHBondContact O-N 3.19Å |
| 478 | T | 86.5 | Confident | 93.2 | Very high | 27 Ų | 27 | 39.4 Ų | 39.4 | 17% | 0.166 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 133 | 179.4 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | H475 W480 | H475-T478 WeakPolarHBondContact O-CB 3.16Å; H475-T478 PolarHBondContact O-N 3.49Å; H475-T478 PolarHBondContact O-OG1 3.03Å; H475-T478 VanDerWaalsContact O-OG1 3.05Å; T478-W480 PolarHBondContact O-N 3.43Å |
| 479 | N | 86.3 | Confident | 93.2 | Very high | 28 Ų | 28 | 38 Ų | 38 | 15% | 0.15 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 21 | -178.6 | -51.6 | -43.5 | 0 | 0 | 0 | 114.6 | Q209 Q213 E240 M482 F483 | Q209-N479 PolarHBondContact NE2-OD1 3.49Å; Q213-N479 PolarHBondContact NE2-ND2 3.37Å; E240-N479 WeakPolarHBondContact OE1-CA 3.45Å; E240-N479 PolarHBondContact OE1-N 2.67Å; E240-N479 PolarHBondContact OE2-N 2.8Å; N479-M482 HydrophobicContact CB-CE 3.8Å; N479-F483 VanDerWaalsContact O-CD2 3.31Å; N479-F483 WeakPolarHBondContact O-CD2 3.29Å; N479-F483 WeakPolarHBondContact O-CE2 3.17Å |
| 480 | W | 92.7 | Very high | 93.2 | Very high | 32 Ų | 32 | 37.4 Ų | 37.4 | 12% | 0.121 | 20% | 0.2 | C | C | . | . | trans | -75.6 | -24.9 | 176.9 | -80.8 | 34.1 | 0 | 0 | 0 | 112.3 | E240 N437 V440 R441 M472 D476 V477 T478 M482 F483 F487 L488 | E240-W480 PolarHBondContact OE1-N 3.19Å; N437-W480 HydrophobicContact CB-CB 4.13Å; N437-W480 HydrophobicContact CB-CE3 4.3Å; N437-W480 WeakPolarHBondContact CB-O 3Å; V440-W480 HydrophobicContact CB-CE3 4.29Å; V440-W480 HydrophobicContact CB-CZ3 4.19Å; V440-W480 HydrophobicContact CG1-CE3 4.13Å; V440-W480 HydrophobicContact CG1-CZ3 3.7Å; R441-W480 HydrophobicContact CB-CB 4.18Å; M472-W480 HydrophobicContact CE-CH2 4.38Å; D476-W480 VanDerWaalsContact O-CE2 3.27Å; D476-W480 WeakPolarHBondContact O-CZ2 3.47Å; D476-W480 PolarHBondContact O-NE1 2.76Å; V477-W480 VanDerWaalsContact C-CD1 3.44Å; V477-W480 HydrophobicContact CB-CD2 4.16Å; V477-W480 HydrophobicContact CB-CG 4.28Å; V477-W480 HydrophobicContact CG1-CD2 4.16Å; V477-W480 HydrophobicContact CG1-CE3 4.16Å; V477-W480 HydrophobicContact CG1-CH2 4.46Å; V477-W480 HydrophobicContact CG1-CZ2 4.45Å; V477-W480 HydrophobicContact CG1-CZ3 4.33Å; V477-W480 WeakPolarHBondContact O-CB 3.4Å; V477-W480 PolarHBondContact O-N 3.19Å; T478-W480 PolarHBondContact O-N 3.43Å; W480-M482 PolarHBondContact O-N 3.13Å; W480-F483 PolarHBondContact O-N 3.26Å; W480-F487 HydrophobicContact CB-CE2 4.46Å; W480-F487 AromaticContact CD1-CD2 3.91Å; W480-F487 AromaticContact CD1-CE2 3.9Å; W480-F487 AromaticContact CD2-CD2 3.49Å; W480-F487 HydrophobicContact CD2-CD2 3.49Å; W480-F487 VanDerWaalsContact CD2-CD2 3.49Å; W480-F487 HydrophobicContact CD2-CE2 4.18Å; W480-F487 HydrophobicContact CD2-CG 4.5Å; W480-F487 AromaticContact CE2-CD2 3.54Å; W480-F487 HydrophobicContact CE3-CB 4.27Å; W480-F487 AromaticContact CE3-CD2 3.89Å; W480-F487 HydrophobicContact CE3-CD2 3.89Å; W480-F487 AromaticContact CG-CD2 3.75Å; W480-F487 HydrophobicContact CG-CD2 3.75Å; W480-F487 AromaticContact CG-CE2 3.94Å; W480-F487 HydrophobicContact CG-CE2 3.94Å; W480-F487 HydrophobicContact CH2-CB 3.74Å; W480-F487 HydrophobicContact CH2-CD2 4.39Å; W480-F487 HydrophobicContact CZ2-CB 4Å; W480-F487 HydrophobicContact CZ2-CD2 4.04Å; W480-F487 HydrophobicContact CZ3-CB 3.87Å; W480-F487 HydrophobicContact CZ3-CD2 4.31Å; W480-F487 AromaticContact NE1-CD2 3.81Å; W480-L488 HydrophobicContact CH2-CD2 3.81Å; W480-L488 HydrophobicContact CH2-CG 4.47Å; W480-L488 HydrophobicContact CZ3-CD2 4.08Å; W480-L488 HydrophobicContact CZ3-CG 4.28Å | ||
| 481 | S | 91.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.1 | -172.7 | 77.3 | 0 | 0 | 0 | 0 | 113.7 | A238 E240 F483 P689 R694 | A238-S481 PolarHBondContact O-OG 2.98Å; A238-S481 VanDerWaalsContact O-OG 3.04Å; E240-S481 VanDerWaalsContact CG-OG 3.28Å; E240-S481 WeakPolarHBondContact CG-OG 3.24Å; E240-S481 WeakPolarHBondContact OE1-CB 3.38Å; E240-S481 PolarHBondContact OE1-N 2.6Å; E240-S481 PolarHBondContact OE1-OG 3.35Å; E240-S481 VanDerWaalsContact OE1-OG 3.05Å; S481-F483 VanDerWaalsContact C-N 3.34Å; S481-P689 WeakPolarHBondContact O-CG 3.38Å; S481-R694 WeakPolarHBondContact O-CD 3.09Å; S481-R694 WeakPolarHBondContact O-CG 3.23Å |
| 482 | M | 91.2 | Very high | 93 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.3 | -174.2 | 69 | -175.8 | 173.3 | 0 | 0 | 114.7 | Q209 N479 W480 P689 | Q209-M482 VanDerWaalsContact CD-SD 3.54Å; Q209-M482 HydrophobicContact CG-SD 4.37Å; Q209-M482 PolarHBondContact OE1-SD 3.15Å; N479-M482 HydrophobicContact CB-CE 3.8Å; W480-M482 PolarHBondContact O-N 3.13Å; M482-P689 WeakPolarHBondContact O-CD 3.38Å |
| 483 | F | 93.4 | Very high | 93 | Very high | 91 Ų | 91 | 41 Ų | 41 | 40% | 0.399 | 22% | 0.216 | S | C | . | . | trans | -105.1 | 135.1 | -176 | -63.2 | -74.4 | 0 | 0 | 0 | 112.1 | N437 N479 W480 S481 F487 | N437-F483 PolarHBondContact ND2-O 2.57Å; N479-F483 VanDerWaalsContact O-CD2 3.31Å; N479-F483 WeakPolarHBondContact O-CD2 3.29Å; N479-F483 WeakPolarHBondContact O-CE2 3.17Å; W480-F483 PolarHBondContact O-N 3.26Å; S481-F483 VanDerWaalsContact C-N 3.34Å; F483-F487 HydrophobicContact CB-CE1 4.3Å; F483-F487 HydrophobicContact CB-CE2 4.2Å; F483-F487 HydrophobicContact CB-CZ 3.63Å; F483-F487 HydrophobicContact CD1-CZ 4.44Å; F483-F487 AromaticContact CD2-CE2 3.83Å; F483-F487 HydrophobicContact CD2-CE2 3.83Å; F483-F487 AromaticContact CD2-CZ 3.49Å; F483-F487 HydrophobicContact CD2-CZ 3.49Å; F483-F487 VanDerWaalsContact CD2-CZ 3.49Å; F483-F487 HydrophobicContact CE2-CZ 4.18Å; F483-F487 HydrophobicContact CG-CE2 4.29Å; F483-F487 AromaticContact CG-CZ 3.62Å; F483-F487 HydrophobicContact CG-CZ 3.62Å | ||
| 484 | G | 94 | Very high | 93.2 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | trans | -73.4 | -172.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N437 G687 | N437-G484 PolarHBondContact ND2-O 3.25Å; G484-G687 WeakPolarHBondContact CA-O 3.31Å; G484-G687 PolarHBondContact N-O 3.28Å | ||
| 485 | G | 95 | Very high | 93.7 | Very high | 28 Ų | 28 | 38 Ų | 38 | 29% | 0.289 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 69.9 | -154.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N437 | N437-G485 PolarHBondContact ND2-O 3.29Š|
| 486 | S | 97 | Very high | 94.2 | Very high | 25 Ų | 25 | 39 Ų | 39 | 18% | 0.175 | 21% | 0.211 | C | C | . | . | trans | -141.3 | 113.9 | -179.7 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | N428 N437 L488 G489 | N428-S486 PolarHBondContact ND2-OG 3.46Å; N437-S486 WeakPolarHBondContact OD1-CA 3.21Å; S486-L488 VanDerWaalsContact C-N 3.27Å; S486-L488 PolarHBondContact O-N 3.32Å; S486-L488 PolarHBondContact OG-N 2.92Å; S486-G489 PolarHBondContact O-N 2.83Å; S486-G489 VanDerWaalsContact O-N 3.13Å; S486-G489 VanDerWaalsContact OG-C 3.25Å; S486-G489 PolarHBondContact OG-N 3.3Å; S486-G489 PolarHBondContact OG-O 3.48Å | ||
| 487 | F | 97.1 | Very high | 94.5 | Very high | 98 Ų | 98 | 43.1 Ų | 43.1 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -19.6 | 173.9 | -67.6 | -25.6 | 0 | 0 | 0 | 113.8 | N437 W480 F483 | N437-F487 PolarHBondContact OD1-N 3.14Å; W480-F487 HydrophobicContact CB-CE2 4.46Å; W480-F487 AromaticContact CD1-CD2 3.91Å; W480-F487 AromaticContact CD1-CE2 3.9Å; W480-F487 AromaticContact CD2-CD2 3.49Å; W480-F487 HydrophobicContact CD2-CD2 3.49Å; W480-F487 VanDerWaalsContact CD2-CD2 3.49Å; W480-F487 HydrophobicContact CD2-CE2 4.18Å; W480-F487 HydrophobicContact CD2-CG 4.5Å; W480-F487 AromaticContact CE2-CD2 3.54Å; W480-F487 HydrophobicContact CE3-CB 4.27Å; W480-F487 AromaticContact CE3-CD2 3.89Å; W480-F487 HydrophobicContact CE3-CD2 3.89Å; W480-F487 AromaticContact CG-CD2 3.75Å; W480-F487 HydrophobicContact CG-CD2 3.75Å; W480-F487 AromaticContact CG-CE2 3.94Å; W480-F487 HydrophobicContact CG-CE2 3.94Å; W480-F487 HydrophobicContact CH2-CB 3.74Å; W480-F487 HydrophobicContact CH2-CD2 4.39Å; W480-F487 HydrophobicContact CZ2-CB 4Å; W480-F487 HydrophobicContact CZ2-CD2 4.04Å; W480-F487 HydrophobicContact CZ3-CB 3.87Å; W480-F487 HydrophobicContact CZ3-CD2 4.31Å; W480-F487 AromaticContact NE1-CD2 3.81Å; F483-F487 HydrophobicContact CB-CE1 4.3Å; F483-F487 HydrophobicContact CB-CE2 4.2Å; F483-F487 HydrophobicContact CB-CZ 3.63Å; F483-F487 HydrophobicContact CD1-CZ 4.44Å; F483-F487 AromaticContact CD2-CE2 3.83Å; F483-F487 HydrophobicContact CD2-CE2 3.83Å; F483-F487 AromaticContact CD2-CZ 3.49Å; F483-F487 HydrophobicContact CD2-CZ 3.49Å; F483-F487 VanDerWaalsContact CD2-CZ 3.49Å; F483-F487 HydrophobicContact CE2-CZ 4.18Å; F483-F487 HydrophobicContact CG-CE2 4.29Å; F483-F487 AromaticContact CG-CZ 3.62Å; F483-F487 HydrophobicContact CG-CZ 3.62Å |
| 488 | L | 97.4 | Very high | 94.7 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -7.8 | 170.1 | -59.1 | -170.7 | 0 | 0 | 0 | 112.3 | V440 A456 K458 D459 W480 S486 | V440-L488 HydrophobicContact CG1-CD1 4.06Å; V440-L488 HydrophobicContact CG2-CD1 3.81Å; V440-L488 HydrophobicContact CG2-CG 4.42Å; A456-L488 HydrophobicContact CB-CD1 3.97Å; A456-L488 HydrophobicContact CB-CD2 3.61Å; A456-L488 HydrophobicContact CB-CG 4.46Å; K458-L488 CarbonylContact C-O 3.53Å; K458-L488 WeakPolarHBondContact CA-O 3.34Å; D459-L488 PolarHBondContact N-O 2.79Å; W480-L488 HydrophobicContact CH2-CD2 3.81Å; W480-L488 HydrophobicContact CH2-CG 4.47Å; W480-L488 HydrophobicContact CZ3-CD2 4.08Å; W480-L488 HydrophobicContact CZ3-CG 4.28Å; S486-L488 VanDerWaalsContact C-N 3.27Å; S486-L488 PolarHBondContact O-N 3.32Å; S486-L488 PolarHBondContact OG-N 2.92Å |
| 489 | G | 97.2 | Very high | 95.1 | Very high | 18 Ų | 18 | 46.4 Ų | 46.4 | 19% | 0.186 | 24% | 0.242 | C | C | . | . | trans | 72.6 | 161 | -160.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | S486 | S486-G489 PolarHBondContact O-N 2.83Å; S486-G489 VanDerWaalsContact O-N 3.13Å; S486-G489 VanDerWaalsContact OG-C 3.25Å; S486-G489 PolarHBondContact OG-N 3.3Å; S486-G489 PolarHBondContact OG-O 3.48Å | ||
| 490 | T | 97.7 | Very high | 95.6 | Very high | 20 Ų | 20 | 52.3 Ų | 52.3 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | trans | -155.3 | 133 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | G430 P432 M436 S460 | G430-T490 PolarHBondContact N-OG1 2.8Å; G430-T490 WeakPolarHBondContact O-CG2 3.4Å; G430-T490 PolarHBondContact O-OG1 3.46Å; P432-T490 HydrophobicContact CB-CG2 3.89Å; P432-T490 HydrophobicContact CG-CG2 4.41Å; M436-T490 HydrophobicContact SD-CG2 4.36Å; S460-T490 WeakPolarHBondContact OG-CA 3.1Å | ||
| 491 | Q | 96.9 | Very high | 95.8 | Very high | 85 Ų | 85 | 54 Ų | 54 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | trans | -131 | 157.3 | -177.5 | -57.6 | -60.4 | -20.9 | 0 | 0 | 109.9 | G430 D459 S460 S493 | G430-Q491 PolarHBondContact N-O 2.86Å; D459-Q491 HydrophobicContact CB-CG 4.43Å; S460-Q491 PolarHBondContact OG-N 3.44Å; S460-Q491 PolarHBondContact OG-O 3.24Å; Q491-S493 VanDerWaalsContact C-N 3.26Å; Q491-S493 PolarHBondContact O-N 3.32Å | ||
| 492 | K | 95.8 | Very high | 96.1 | Very high | 127 Ų | 127 | 53.8 Ų | 53.8 | 55% | 0.552 | 28% | 0.277 | S | S | * | . | trans | -86.7 | 7.4 | 177.1 | -62.9 | -179 | -178.1 | 175.4 | 0 | 113.4 | E521 | K492-E521 HydrophobicContact CB-CG 4.25Š| ||
| 493 | S | 95.8 | Very high | 96.4 | Very high | 17 Ų | 17 | 53 Ų | 53 | 12% | 0.119 | 27% | 0.274 | C | S | . | . | trans | -65.8 | 142.6 | -179.5 | 41.3 | 0 | 0 | 0 | 0 | 111 | F461 D462 Q491 | F461-S493 WeakPolarHBondContact CD2-O 3.31Å; D462-S493 PolarHBondContact OD1-OG 3.45Å; D462-S493 WeakPolarHBondContact OD2-CB 3.44Å; D462-S493 PolarHBondContact OD2-OG 3.17Å; Q491-S493 VanDerWaalsContact C-N 3.26Å; Q491-S493 PolarHBondContact O-N 3.32Å | ||
| 494 | L | 97 | Very high | 96.7 | Very high | 40 Ų | 40 | 50.4 Ų | 50.4 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | trans | -100.9 | 159.1 | 176 | -64 | -179.8 | 0 | 0 | 0 | 110 | T496 K497 E521 S525 I528 | L494-T496 PolarHBondContact O-N 3.19Å; L494-T496 VanDerWaalsContact O-N 3.12Å; L494-K497 WeakPolarHBondContact O-CB 3.35Å; L494-K497 PolarHBondContact O-N 3.22Å; L494-K497 VanDerWaalsContact O-N 3.11Å; L494-E521 HydrophobicContact CD2-CB 4.17Å; L494-E521 HydrophobicContact CD2-CG 4.44Å; L494-S525 WeakPolarHBondContact CD2-OG 3.33Å; L494-I528 HydrophobicContact CD1-CD1 4.23Å | ||
| 495 | P | 97 | Very high | 96.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -59.2 | -24.5 | 176.8 | 20.6 | -31.6 | 0 | 0 | 0 | 113.2 | F461 K497 N498 M499 S525 I528 M529 | F461-P495 HydrophobicContact CD1-CB 3.83Å; F461-P495 HydrophobicContact CE1-CB 3.59Å; F461-P495 HydrophobicContact CE1-CG 4.03Å; F461-P495 HydrophobicContact CZ-CB 4.13Å; F461-P495 HydrophobicContact CZ-CG 4.06Å; P495-K497 PolarHBondContact O-N 3.47Å; P495-K497 VanDerWaalsContact O-N 3.11Å; P495-N498 CarbonylContact O-C 3.56Å; P495-N498 PolarHBondContact O-N 2.89Å; P495-M499 HydrophobicContact CB-CE 4.1Å; P495-M499 HydrophobicContact CB-SD 4.14Å; P495-M499 HydrophobicContact CG-CE 4.5Å; P495-M499 PolarHBondContact O-N 2.95Å; P495-S525 VanDerWaalsContact CD-OG 3.27Å; P495-S525 WeakPolarHBondContact CD-OG 3.04Å; P495-I528 HydrophobicContact CG-CB 4.31Å; P495-I528 HydrophobicContact CG-CG2 4.06Å; P495-M529 HydrophobicContact CB-CG 4.4Å; P495-M529 HydrophobicContact CG-CG 4.2Å |
| 496 | T | 96.4 | Very high | 97 | Very high | 86 Ų | 86 | 49.9 Ų | 49.9 | 53% | 0.528 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -61.7 | -16.2 | 177 | 50.6 | 0 | 0 | 0 | 0 | 114.1 | L494 N498 M499 I528 | L494-T496 PolarHBondContact O-N 3.19Å; L494-T496 VanDerWaalsContact O-N 3.12Å; T496-N498 VanDerWaalsContact C-N 3.3Å; T496-N498 PolarHBondContact O-N 2.98Å; T496-M499 HydrophobicContact CG2-CE 3.86Å; T496-I528 HydrophobicContact CG2-CD1 4.14Å; T496-I528 HydrophobicContact CG2-CG2 3.98Å |
| 497 | K | 95.4 | Very high | 97 | Very high | 137 Ų | 137 | 55.7 Ų | 55.7 | 60% | 0.596 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -59.1 | -39.9 | 176.4 | -173.1 | 173.9 | -178.6 | 176.5 | 0 | 112.7 | D462 I465 L494 P495 | D462-K497 VanDerWaalsContact OD1-CD 3.31Å; D462-K497 WeakPolarHBondContact OD1-CD 3.44Å; D462-K497 WeakPolarHBondContact OD1-CE 3.44Å; D462-K497 IonicContact OD1-NZ 3.07Å; D462-K497 PolarHBondContact OD1-NZ 3.24Å; I465-K497 HydrophobicContact CD1-CB 4.29Å; I465-K497 HydrophobicContact CD1-CG 4.43Å; L494-K497 WeakPolarHBondContact O-CB 3.35Å; L494-K497 PolarHBondContact O-N 3.22Å; L494-K497 VanDerWaalsContact O-N 3.11Å; P495-K497 PolarHBondContact O-N 3.47Å; P495-K497 VanDerWaalsContact O-N 3.11Å |
| 498 | N | 96.5 | Very high | 97.1 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -158.4 | 82.1 | 170.7 | -170.9 | -23.7 | 0 | 0 | 0 | 109.8 | I465 P495 T496 E500 Q501 V502 | I465-N498 HydrophobicContact CD1-CB 3.72Å; I465-N498 HydrophobicContact CG1-CB 4.08Å; I465-N498 HydrophobicContact CG2-CB 4.22Å; P495-N498 CarbonylContact O-C 3.56Å; P495-N498 PolarHBondContact O-N 2.89Å; T496-N498 VanDerWaalsContact C-N 3.3Å; T496-N498 PolarHBondContact O-N 2.98Å; N498-E500 VanDerWaalsContact C-N 3.34Å; N498-E500 PolarHBondContact O-N 2.88Å; N498-Q501 HydrophobicContact CB-CB 4.3Å; N498-Q501 PolarHBondContact O-N 3.36Å; N498-Q501 WeakPolarHBondContact OD1-CB 3.32Å; N498-Q501 PolarHBondContact OD1-N 3.3Å; N498-Q501 VanDerWaalsContact OD1-N 3.13Å; N498-V502 VanDerWaalsContact O-CG2 3.32Å; N498-V502 WeakPolarHBondContact O-CG2 3.18Å; N498-V502 PolarHBondContact O-N 3.27Å; N498-V502 VanDerWaalsContact O-N 3.09Å |
| 499 | M | 95.6 | Very high | 97.1 | Very high | 27 Ų | 27 | 59.3 Ų | 59.3 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.3 | -40.1 | -173.4 | -166 | 68.2 | 66.2 | 0 | 0 | 112.9 | P495 T496 Q501 V502 V503 I528 L532 F536 F539 | P495-M499 HydrophobicContact CB-CE 4.1Å; P495-M499 HydrophobicContact CB-SD 4.14Å; P495-M499 HydrophobicContact CG-CE 4.5Å; P495-M499 PolarHBondContact O-N 2.95Å; T496-M499 HydrophobicContact CG2-CE 3.86Å; M499-Q501 VanDerWaalsContact C-N 3.34Å; M499-Q501 PolarHBondContact O-N 2.95Å; M499-V502 PolarHBondContact O-N 3.41Å; M499-V503 WeakPolarHBondContact O-CG2 3.47Å; M499-V503 PolarHBondContact O-N 3.49Å; M499-I528 HydrophobicContact CE-CG2 3.79Å; M499-L532 HydrophobicContact CE-CD1 3.38Å; M499-L532 HydrophobicContact CG-CD1 4.34Å; M499-L532 HydrophobicContact SD-CD1 3.89Å; M499-F536 HydrophobicContact CG-CD2 4.23Å; M499-F536 HydrophobicContact CG-CE2 3.51Å; M499-F536 HydrophobicContact CG-CZ 3.88Å; M499-F539 HydrophobicContact CG-CE2 4.34Å; M499-F539 HydrophobicContact CG-CZ 4.37Å; M499-F539 HydrophobicContact SD-CE2 3.54Å; M499-F539 VanDerWaalsContact SD-CE2 3.54Å; M499-F539 HydrophobicContact SD-CZ 3.42Å; M499-F539 WeakPolarHBondContact SD-CZ 3.3Å |
| 500 | E | 96.4 | Very high | 97 | Very high | 153 Ų | 153 | 66 Ų | 66 | 72% | 0.715 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | -178.4 | -65.1 | -176.3 | 173.1 | 0 | 0 | 111.3 | N498 V503 A504 | N498-E500 VanDerWaalsContact C-N 3.34Å; N498-E500 PolarHBondContact O-N 2.88Å; E500-V503 PolarHBondContact O-N 2.77Å; E500-A504 WeakPolarHBondContact O-CB 3.25Å; E500-A504 PolarHBondContact O-N 2.92Å |
| 501 | Q | 97.7 | Very high | 97 | Very high | 66 Ų | 66 | 65.5 Ų | 65.5 | 31% | 0.308 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.1 | -35.2 | 178.5 | -170.3 | 64.5 | 8.9 | 0 | 0 | 112 | I465 N498 M499 V503 A504 Q505 | I465-Q501 HydrophobicContact CB-CG 4.24Å; I465-Q501 HydrophobicContact CG2-CB 4.1Å; I465-Q501 HydrophobicContact CG2-CG 3.73Å; I465-Q501 WeakPolarHBondContact O-CG 3.33Å; I465-Q501 PolarHBondContact O-NE2 2.82Å; I465-Q501 VanDerWaalsContact O-NE2 3.13Å; N498-Q501 HydrophobicContact CB-CB 4.3Å; N498-Q501 PolarHBondContact O-N 3.36Å; N498-Q501 WeakPolarHBondContact OD1-CB 3.32Å; N498-Q501 PolarHBondContact OD1-N 3.3Å; N498-Q501 VanDerWaalsContact OD1-N 3.13Å; M499-Q501 VanDerWaalsContact C-N 3.34Å; M499-Q501 PolarHBondContact O-N 2.95Å; Q501-V503 VanDerWaalsContact C-N 3.33Å; Q501-V503 PolarHBondContact O-N 2.99Å; Q501-A504 PolarHBondContact O-N 3.48Å; Q501-Q505 HydrophobicContact CG-CG 4.43Å; Q501-Q505 WeakPolarHBondContact O-CB 3.44Å; Q501-Q505 WeakPolarHBondContact O-CG 3.24Å; Q501-Q505 PolarHBondContact O-N 3.43Å |
| 502 | V | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.2 | -50.6 | 172.6 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | F461 L464 I465 N498 M499 A504 Q505 L506 F539 | F461-V502 HydrophobicContact CD1-CG2 4.17Å; L464-V502 HydrophobicContact CD1-CG1 4.24Å; L464-V502 HydrophobicContact CD2-CB 3.99Å; L464-V502 HydrophobicContact CD2-CG1 3.85Å; L464-V502 HydrophobicContact CD2-CG2 4.03Å; I465-V502 HydrophobicContact CD1-CG2 4.45Å; I465-V502 HydrophobicContact CG1-CG2 3.87Å; N498-V502 VanDerWaalsContact O-CG2 3.32Å; N498-V502 WeakPolarHBondContact O-CG2 3.18Å; N498-V502 PolarHBondContact O-N 3.27Å; N498-V502 VanDerWaalsContact O-N 3.09Å; M499-V502 PolarHBondContact O-N 3.41Å; V502-A504 PolarHBondContact O-N 2.94Å; V502-Q505 PolarHBondContact O-N 2.92Å; V502-L506 HydrophobicContact CG1-CD1 4.23Å; V502-L506 WeakPolarHBondContact O-CG 3.46Å; V502-L506 PolarHBondContact O-N 3.5Å; V502-F539 HydrophobicContact CG1-CE1 4.11Å; V502-F539 HydrophobicContact CG1-CZ 4.34Å |
| 503 | V | 98 | Very high | 97.2 | Very high | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 178.4 | 169.1 | 0 | 0 | 0 | 0 | 111.5 | M499 E500 Q501 Q505 L506 R507 F536 E538 F539 | M499-V503 WeakPolarHBondContact O-CG2 3.47Å; M499-V503 PolarHBondContact O-N 3.49Å; E500-V503 PolarHBondContact O-N 2.77Å; Q501-V503 VanDerWaalsContact C-N 3.33Å; Q501-V503 PolarHBondContact O-N 2.99Å; V503-Q505 VanDerWaalsContact C-N 3.28Å; V503-Q505 PolarHBondContact O-N 3.27Å; V503-L506 PolarHBondContact O-N 2.94Å; V503-R507 WeakPolarHBondContact O-CB 3.41Å; V503-R507 PolarHBondContact O-N 3.25Å; V503-F536 HydrophobicContact CB-CD1 4.31Å; V503-F536 HydrophobicContact CG1-CB 4.48Å; V503-F536 HydrophobicContact CG1-CD1 4.01Å; V503-F536 HydrophobicContact CG2-CB 3.85Å; V503-F536 HydrophobicContact CG2-CD1 3.68Å; V503-F536 HydrophobicContact CG2-CD2 4.15Å; V503-F536 HydrophobicContact CG2-CE1 4.19Å; V503-F536 HydrophobicContact CG2-CG 3.63Å; V503-E538 HydrophobicContact CG1-CB 4.05Å; V503-E538 HydrophobicContact CG1-CG 3.81Å; V503-E538 WeakPolarHBondContact CG1-OE2 3.35Å; V503-F539 HydrophobicContact CG2-CE1 3.93Å; V503-F539 HydrophobicContact CG2-CE2 3.99Å; V503-F539 HydrophobicContact CG2-CZ 3.5Å; V503-F539 VanDerWaalsContact CG2-CZ 3.5Å |
| 504 | A | 98.1 | Very high | 97.4 | Very high | 35 Ų | 35 | 56.1 Ų | 56.1 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.3 | -40.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E500 Q501 V502 H508 | E500-A504 WeakPolarHBondContact O-CB 3.25Å; E500-A504 PolarHBondContact O-N 2.92Å; Q501-A504 PolarHBondContact O-N 3.48Å; V502-A504 PolarHBondContact O-N 2.94Å; A504-H508 WeakPolarHBondContact O-CB 3.47Å; A504-H508 PolarHBondContact O-N 3.22Å |
| 505 | Q | 98.3 | Very high | 97.5 | Very high | 28 Ų | 28 | 54.2 Ų | 54.2 | 13% | 0.131 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.9 | -42.1 | -179.6 | -66.9 | -68.5 | -11.1 | 0 | 0 | 112.2 | L464 F469 Q501 V502 V503 R507 H508 F509 | L464-Q505 HydrophobicContact CD2-CB 3.9Å; L464-Q505 WeakPolarHBondContact O-CG 3.43Å; F469-Q505 HydrophobicContact CE2-CB 4.3Å; Q501-Q505 HydrophobicContact CG-CG 4.43Å; Q501-Q505 WeakPolarHBondContact O-CB 3.44Å; Q501-Q505 WeakPolarHBondContact O-CG 3.24Å; Q501-Q505 PolarHBondContact O-N 3.43Å; V502-Q505 PolarHBondContact O-N 2.92Å; V503-Q505 VanDerWaalsContact C-N 3.28Å; V503-Q505 PolarHBondContact O-N 3.27Å; Q505-R507 VanDerWaalsContact C-N 3.25Å; Q505-R507 PolarHBondContact O-N 3.2Å; Q505-H508 PolarHBondContact O-N 3.42Å; Q505-H508 VanDerWaalsContact O-N 3.16Å; Q505-F509 WeakPolarHBondContact O-CD2 3.33Å; Q505-F509 PolarHBondContact O-N 3.26Å |
| 506 | L | 98 | Very high | 97.5 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.3 | -39.8 | 173.3 | -67.8 | 178.7 | 0 | 0 | 0 | 111.7 | V502 V503 K510 I511 E538 F539 | V502-L506 HydrophobicContact CG1-CD1 4.23Å; V502-L506 WeakPolarHBondContact O-CG 3.46Å; V502-L506 PolarHBondContact O-N 3.5Å; V503-L506 PolarHBondContact O-N 2.94Å; L506-K510 PolarHBondContact O-N 3.4Å; L506-K510 VanDerWaalsContact O-N 3.1Å; L506-I511 HydrophobicContact CD2-CB 4.02Å; L506-I511 HydrophobicContact CD2-CG1 3.88Å; L506-I511 HydrophobicContact CD2-CG2 4.25Å; L506-I511 PolarHBondContact O-N 3.14Å; L506-E538 HydrophobicContact CB-CB 4.24Å; L506-F539 HydrophobicContact CD1-CD1 4.01Å; L506-F539 HydrophobicContact CD1-CE1 3.8Å |
| 507 | R | 97.5 | Very high | 97.7 | Very high | 147 Ų | 147 | 50.1 Ų | 50.1 | 56% | 0.555 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.3 | -47 | 173.3 | -171.4 | -172.7 | -61.1 | 140.1 | 4.2 | 112.1 | V503 Q505 F509 K510 E538 | V503-R507 WeakPolarHBondContact O-CB 3.41Å; V503-R507 PolarHBondContact O-N 3.25Å; Q505-R507 VanDerWaalsContact C-N 3.25Å; Q505-R507 PolarHBondContact O-N 3.2Å; R507-F509 PolarHBondContact O-N 2.99Å; R507-K510 PolarHBondContact O-N 3.11Å; R507-K510 VanDerWaalsContact O-N 3.14Å; R507-E538 HydrophobicContact CB-CG 3.94Å; R507-E538 IonicContact CZ-OE1 3.59Å; R507-E538 IonicContact NE-OE1 2.65Å; R507-E538 PolarHBondContact NE-OE1 3.2Å; R507-E538 VanDerWaalsContact NH2-CD 3.29Å; R507-E538 IonicContact NH2-OE1 3.05Å; R507-E538 PolarHBondContact NH2-OE1 3.3Å; R507-E538 IonicContact NH2-OE2 3.29Å; R507-E538 PolarHBondContact NH2-OE2 3.08Å |
| 508 | H | 97.7 | Very high | 97.8 | Very high | 136 Ų | 136 | 43.6 Ų | 43.6 | 63% | 0.63 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -59.5 | -45.1 | -177.6 | -178.5 | 66.3 | 0 | 0 | 0 | 112.1 | A504 Q505 K510 | A504-H508 WeakPolarHBondContact O-CB 3.47Å; A504-H508 PolarHBondContact O-N 3.22Å; Q505-H508 PolarHBondContact O-N 3.42Å; Q505-H508 VanDerWaalsContact O-N 3.16Å; H508-K510 VanDerWaalsContact C-N 3.3Å |
| 509 | F | 97.3 | Very high | 97.8 | Very high | 45 Ų | 45 | 40.4 Ų | 40.4 | 20% | 0.197 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -1.1 | 178.3 | -73 | -82.2 | 0 | 0 | 0 | 114 | Y455 F469 Q505 R507 I511 | Y455-F509 HydrophobicContact CD1-CD1 4.49Å; Y455-F509 HydrophobicContact CE1-CD1 4.1Å; Y455-F509 HydrophobicContact CE1-CE1 4.33Å; Y455-F509 HydrophobicContact CE2-CD1 4.18Å; Y455-F509 AromaticContact CZ-CD1 3.93Å; F469-F509 HydrophobicContact CB-CD1 4.18Å; F469-F509 HydrophobicContact CB-CE1 3.71Å; F469-F509 HydrophobicContact CB-CE2 4.17Å; F469-F509 HydrophobicContact CB-CZ 3.71Å; F469-F509 HydrophobicContact CD1-CB 4.33Å; F469-F509 HydrophobicContact CD1-CD1 4.11Å; F469-F509 AromaticContact CD1-CD2 3.98Å; F469-F509 HydrophobicContact CD1-CD2 3.98Å; F469-F509 HydrophobicContact CD1-CE1 4.44Å; F469-F509 HydrophobicContact CD1-CE2 4.33Å; F469-F509 AromaticContact CD1-CG 3.87Å; F469-F509 HydrophobicContact CD1-CG 3.87Å; F469-F509 AromaticContact CD2-CD2 3.64Å; F469-F509 HydrophobicContact CD2-CD2 3.64Å; F469-F509 HydrophobicContact CD2-CE1 4.41Å; F469-F509 AromaticContact CD2-CE2 3.33Å; F469-F509 HydrophobicContact CD2-CE2 3.33Å; F469-F509 HydrophobicContact CD2-CG 4.32Å; F469-F509 AromaticContact CD2-CZ 3.77Å; F469-F509 HydrophobicContact CD2-CZ 3.77Å; F469-F509 HydrophobicContact CE1-CB 4.2Å; F469-F509 HydrophobicContact CE1-CD2 4.03Å; F469-F509 HydrophobicContact CE1-CG 4.08Å; F469-F509 AromaticContact CE2-CD2 3.69Å; F469-F509 HydrophobicContact CE2-CD2 3.69Å; F469-F509 AromaticContact CE2-CE2 3.73Å; F469-F509 HydrophobicContact CE2-CE2 3.73Å; F469-F509 HydrophobicContact CG-CD1 4.09Å; F469-F509 AromaticContact CG-CD2 3.83Å; F469-F509 HydrophobicContact CG-CD2 3.83Å; F469-F509 AromaticContact CG-CE1 3.97Å; F469-F509 HydrophobicContact CG-CE1 3.97Å; F469-F509 AromaticContact CG-CE2 3.7Å; F469-F509 HydrophobicContact CG-CE2 3.7Å; F469-F509 HydrophobicContact CG-CG 4.03Å; F469-F509 AromaticContact CG-CZ 3.78Å; F469-F509 HydrophobicContact CG-CZ 3.78Å; F469-F509 AromaticContact CZ-CD2 3.89Å; F469-F509 HydrophobicContact CZ-CD2 3.89Å; F469-F509 HydrophobicContact CZ-CE2 4.39Å; F469-F509 HydrophobicContact CZ-CG 4.4Å; Q505-F509 WeakPolarHBondContact O-CD2 3.33Å; Q505-F509 PolarHBondContact O-N 3.26Å; R507-F509 PolarHBondContact O-N 2.99Å; F509-I511 HydrophobicContact CB-CD1 3.8Å; F509-I511 HydrophobicContact CB-CG1 4.07Å; F509-I511 PolarHBondContact O-N 3.38Å |
| 510 | K | 96.6 | Very high | 97.9 | Very high | 158 Ų | 158 | 39.3 Ų | 39.3 | 69% | 0.687 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 52.9 | 179.9 | -56.3 | -177.9 | -179.4 | -176.9 | 0 | 112.5 | T423 L506 R507 H508 D512 | T423-K510 WeakPolarHBondContact CB-O 3.48Å; L506-K510 PolarHBondContact O-N 3.4Å; L506-K510 VanDerWaalsContact O-N 3.1Å; R507-K510 PolarHBondContact O-N 3.11Å; R507-K510 VanDerWaalsContact O-N 3.14Å; H508-K510 VanDerWaalsContact C-N 3.3Å; K510-D512 PolarHBondContact O-N 3.07Å |
| 511 | I | 98.2 | Very high | 98 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 5% | 0.051 | 15% | 0.154 | C | C | . | . | trans | -75.2 | 119.9 | -177.9 | -56.7 | -52.5 | 0 | 0 | 0 | 110.3 | T423 A425 Y455 F469 L506 F509 G513 I541 | T423-I511 HydrophobicContact CG2-CD1 3.96Å; A425-I511 HydrophobicContact CB-CD1 3.94Å; A425-I511 HydrophobicContact CB-CG1 4.22Å; A425-I511 HydrophobicContact CB-CG2 3.89Å; Y455-I511 HydrophobicContact CD2-CD1 3.98Å; F469-I511 HydrophobicContact CE1-CD1 4.18Å; F469-I511 HydrophobicContact CE1-CG1 4.34Å; L506-I511 HydrophobicContact CD2-CB 4.02Å; L506-I511 HydrophobicContact CD2-CG1 3.88Å; L506-I511 HydrophobicContact CD2-CG2 4.25Å; L506-I511 PolarHBondContact O-N 3.14Å; F509-I511 HydrophobicContact CB-CD1 3.8Å; F509-I511 HydrophobicContact CB-CG1 4.07Å; F509-I511 PolarHBondContact O-N 3.38Å; I511-G513 WeakPolarHBondContact CG2-O 3.49Å; I511-I541 HydrophobicContact CG2-CD1 4.06Å | ||
| 512 | D | 98.1 | Very high | 98 | Very high | 30 Ų | 30 | 30 Ų | 30 | 16% | 0.16 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -92.6 | -11.4 | 179 | -63.5 | -50.2 | 0 | 0 | 0 | 113 | F422 T423 F424 K510 P542 V722 | F422-D512 WeakPolarHBondContact CA-OD2 3.42Å; F422-D512 HydrophobicContact CB-CB 4.32Å; F422-D512 HydrophobicContact CD1-CB 4.46Å; T423-D512 PolarHBondContact N-OD2 3.29Å; T423-D512 PolarHBondContact O-N 3.45Å; F424-D512 HydrophobicContact CE1-CB 4.48Å; K510-D512 PolarHBondContact O-N 3.07Å; D512-P542 WeakPolarHBondContact O-CD 3.42Å; D512-V722 HydrophobicContact CB-CB 4.11Å; D512-V722 HydrophobicContact CB-CG2 3.85Å |
| 513 | G | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.9 | 149.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F424 A425 I511 P542 | F424-G513 WeakPolarHBondContact CA-O 3.34Å; A425-G513 PolarHBondContact N-O 3.15Å; I511-G513 WeakPolarHBondContact CG2-O 3.49Å; G513-P542 CarbonylContact C-O 3.56Å; G513-P542 VanDerWaalsContact CA-O 3.25Å; G513-P542 WeakPolarHBondContact CA-O 3.47Å |
| 514 | L | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.5 | -173.1 | -173.4 | 65.7 | 0 | 0 | 0 | 111.9 | A425 M427 I457 L516 M529 I541 P542 M543 V544 | A425-L514 HydrophobicContact CB-CD1 3.79Å; M427-L514 HydrophobicContact CE-CD1 4.43Å; M427-L514 HydrophobicContact CE-CD2 4.27Å; I457-L514 HydrophobicContact CD1-CD1 4.28Å; L514-L516 HydrophobicContact CD2-CD1 4.42Å; L514-L516 HydrophobicContact CD2-CD2 4.06Å; L514-L516 HydrophobicContact CD2-CG 4.23Å; L514-L516 HydrophobicContact CG-CD2 4.26Å; L514-L516 HydrophobicContact CG-CG 4.22Å; L514-M529 HydrophobicContact CD2-CE 3.64Å; L514-M529 HydrophobicContact CD2-SD 4.12Å; L514-I541 HydrophobicContact CB-CD1 4.5Å; L514-P542 PolarHBondContact N-O 3.47Å; L514-M543 HydrophobicContact CB-CG 4.14Å; L514-M543 VanDerWaalsContact O-CA 3.32Å; L514-M543 WeakPolarHBondContact O-CA 2.81Å; L514-V544 PolarHBondContact O-N 2.88Å |
| 515 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 116.9 | 174.3 | -173.3 | -136.7 | 0 | 0 | 0 | 111 | A425 V426 M427 F443 I517 V544 L546 A701 A704 L708 | A425-F515 PolarHBondContact O-N 2.77Å; V426-F515 WeakPolarHBondContact CA-O 3.42Å; V426-F515 HydrophobicContact CB-CB 4.34Å; V426-F515 HydrophobicContact CB-CD1 4.33Å; V426-F515 HydrophobicContact CG2-CB 4.33Å; V426-F515 HydrophobicContact CG2-CD1 3.61Å; V426-F515 HydrophobicContact CG2-CE1 4.41Å; V426-F515 HydrophobicContact CG2-CG 4.37Å; M427-F515 PolarHBondContact N-O 2.88Å; F443-F515 HydrophobicContact CB-CD1 3.73Å; F443-F515 HydrophobicContact CB-CE1 3.64Å; F443-F515 HydrophobicContact CD1-CB 4.44Å; F443-F515 AromaticContact CD1-CD1 3.77Å; F443-F515 HydrophobicContact CD1-CD1 3.77Å; F443-F515 HydrophobicContact CD1-CG 4.5Å; F443-F515 HydrophobicContact CD2-CB 4.29Å; F443-F515 AromaticContact CD2-CD1 3.48Å; F443-F515 HydrophobicContact CD2-CD1 3.48Å; F443-F515 VanDerWaalsContact CD2-CD1 3.48Å; F443-F515 AromaticContact CD2-CE1 3.91Å; F443-F515 HydrophobicContact CD2-CE1 3.91Å; F443-F515 AromaticContact CD2-CG 3.92Å; F443-F515 HydrophobicContact CD2-CG 3.92Å; F443-F515 HydrophobicContact CE1-CB 4.08Å; F443-F515 HydrophobicContact CE1-CD1 4.25Å; F443-F515 HydrophobicContact CE2-CB 3.94Å; F443-F515 HydrophobicContact CE2-CD1 4.03Å; F443-F515 HydrophobicContact CE2-CG 4.04Å; F443-F515 AromaticContact CG-CD1 3.34Å; F443-F515 HydrophobicContact CG-CD1 3.34Å; F443-F515 AromaticContact CG-CE1 3.77Å; F443-F515 HydrophobicContact CG-CE1 3.77Å; F443-F515 HydrophobicContact CG-CG 4.17Å; F443-F515 HydrophobicContact CZ-CB 3.82Å; F443-F515 HydrophobicContact CZ-CD1 4.37Å; F443-F515 HydrophobicContact CZ-CG 4.35Å; F515-I517 HydrophobicContact CD1-CD1 4.01Å; F515-I517 HydrophobicContact CD1-CG1 3.98Å; F515-I517 HydrophobicContact CE1-CD1 3.57Å; F515-I517 HydrophobicContact CE1-CG1 3.5Å; F515-I517 VanDerWaalsContact CE1-CG1 3.5Å; F515-I517 HydrophobicContact CE2-CG1 4.38Å; F515-I517 HydrophobicContact CZ-CD1 4.25Å; F515-I517 HydrophobicContact CZ-CG1 3.72Å; F515-V544 WeakPolarHBondContact CA-O 3.41Å; F515-V544 HydrophobicContact CD2-CB 4.06Å; F515-V544 HydrophobicContact CD2-CG1 4.15Å; F515-V544 WeakPolarHBondContact CD2-O 3.47Å; F515-V544 HydrophobicContact CE2-CG1 4.09Å; F515-L546 HydrophobicContact CE2-CB 3.65Å; F515-L546 HydrophobicContact CZ-CB 3.68Å; F515-L546 HydrophobicContact CZ-CD2 3.75Å; F515-L546 HydrophobicContact CZ-CG 4.34Å; F515-A701 HydrophobicContact CE1-CB 4.19Å; F515-A701 HydrophobicContact CZ-CB 4.18Å; F515-A704 HydrophobicContact CD2-CB 3.95Å; F515-A704 HydrophobicContact CE2-CB 3.35Å; F515-A704 HydrophobicContact CZ-CB 3.69Å; F515-L708 HydrophobicContact CB-CD1 3.91Å |
| 516 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.9 | -177.8 | -62.6 | 163.7 | 0 | 0 | 0 | 109.1 | M427 V429 F461 L514 A522 C526 M529 V544 T545 L546 | M427-L516 HydrophobicContact CE-CD2 3.14Å; M427-L516 HydrophobicContact CG-CD2 3.81Å; M427-L516 HydrophobicContact SD-CD2 4.3Å; V429-L516 HydrophobicContact CG2-CD2 4.1Å; F461-L516 HydrophobicContact CZ-CD2 4.38Å; L514-L516 HydrophobicContact CD2-CD1 4.42Å; L514-L516 HydrophobicContact CD2-CD2 4.06Å; L514-L516 HydrophobicContact CD2-CG 4.23Å; L514-L516 HydrophobicContact CG-CD2 4.26Å; L514-L516 HydrophobicContact CG-CG 4.22Å; L516-A522 HydrophobicContact CB-CB 4.4Å; L516-C526 HydrophobicContact CD1-CB 3.63Å; L516-M529 HydrophobicContact CD1-CE 3.9Å; L516-V544 PolarHBondContact N-O 2.95Å; L516-T545 HydrophobicContact CB-CG2 4.38Å; L516-T545 CarbonylContact O-C 3.6Å; L516-T545 VanDerWaalsContact O-CA 3.28Å; L516-T545 WeakPolarHBondContact O-CA 3.33Å; L516-L546 PolarHBondContact O-N 3.12Å |
| 517 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 123.3 | 176.5 | -56.5 | 158.7 | 0 | 0 | 0 | 108.1 | V426 M427 N428 V429 M436 A439 V440 F515 L546 C548 | V426-I517 HydrophobicContact CG2-CD1 3.81Å; M427-I517 PolarHBondContact O-N 3.4Å; N428-I517 CarbonylContact C-O 3.37Å; N428-I517 WeakPolarHBondContact CA-O 3.41Å; N428-I517 WeakPolarHBondContact OD1-CB 3.32Å; N428-I517 WeakPolarHBondContact OD1-CD1 3.1Å; V429-I517 PolarHBondContact N-O 2.84Å; M436-I517 HydrophobicContact CG-CG2 4.23Å; A439-I517 HydrophobicContact CB-CD1 3.78Å; A439-I517 HydrophobicContact CB-CG1 4.31Å; A439-I517 HydrophobicContact CB-CG2 4.23Å; V440-I517 HydrophobicContact CB-CD1 4.44Å; V440-I517 HydrophobicContact CG2-CD1 3.53Å; F515-I517 HydrophobicContact CD1-CD1 4.01Å; F515-I517 HydrophobicContact CD1-CG1 3.98Å; F515-I517 HydrophobicContact CE1-CD1 3.57Å; F515-I517 HydrophobicContact CE1-CG1 3.5Å; F515-I517 VanDerWaalsContact CE1-CG1 3.5Å; F515-I517 HydrophobicContact CE2-CG1 4.38Å; F515-I517 HydrophobicContact CZ-CD1 4.25Å; F515-I517 HydrophobicContact CZ-CG1 3.72Å; I517-L546 HydrophobicContact CG1-CB 4.37Å; I517-C548 HydrophobicContact CG2-CB 3.71Å |
| 518 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.4 | -155.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | V429 L546 C548 I554 | V429-G518 VanDerWaalsContact O-CA 3.23Å; V429-G518 WeakPolarHBondContact O-CA 3.27Å; G518-L546 PolarHBondContact N-O 3.18Å; G518-C548 CarbonylContact C-O 3.49Å; G518-C548 VanDerWaalsContact CA-O 3.3Å; G518-C548 WeakPolarHBondContact CA-O 3.36Å; G518-C548 PolarHBondContact O-N 3.42Å; G518-I554 WeakPolarHBondContact O-CD1 3.49Å |
| 519 | G | 96.9 | Very high | 98 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 3% | 0.031 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -77.5 | -159.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V429 E521 A522 F523 C548 I554 | V429-G519 PolarHBondContact O-N 2.99Å; V429-G519 VanDerWaalsContact O-N 3.09Å; G519-E521 PolarHBondContact O-N 3.41Å; G519-A522 WeakPolarHBondContact O-CB 3.32Å; G519-A522 PolarHBondContact O-N 3.03Å; G519-A522 VanDerWaalsContact O-N 3.09Å; G519-F523 PolarHBondContact O-N 3.28Å; G519-C548 PolarHBondContact N-O 3.18Å; G519-I554 VanDerWaalsContact C-CD1 3.47Å |
| 520 | F | 97.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 15 Ų | 15 | 1% | 0.013 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -57.9 | -33.7 | 169.9 | -163.2 | -83.9 | 0 | 0 | 0 | 111.4 | A522 F523 H524 A752 F754 R757 | F520-A522 VanDerWaalsContact C-N 3.33Å; F520-A522 PolarHBondContact O-N 3.48Å; F520-F523 HydrophobicContact CE2-CD1 4.42Å; F520-F523 HydrophobicContact CZ-CD1 4.43Å; F520-F523 HydrophobicContact CZ-CE1 4.41Å; F520-F523 PolarHBondContact O-N 3.09Å; F520-H524 HydrophobicContact CD1-CB 4.39Å; F520-H524 HydrophobicContact CE1-CB 4.46Å; F520-H524 VanDerWaalsContact O-CB 3.27Å; F520-H524 WeakPolarHBondContact O-CB 3.35Å; F520-H524 PolarHBondContact O-N 3.13Å; F520-A752 HydrophobicContact CE2-CB 4.29Å; F520-A752 HydrophobicContact CZ-CB 4.12Å; F520-F754 AromaticContact CE1-CD1 3.71Å; F520-F754 HydrophobicContact CE1-CD1 3.71Å; F520-F754 HydrophobicContact CE1-CE1 4.19Å; F520-F754 HydrophobicContact CE1-CG 4.39Å; F520-F754 AromaticContact CZ-CD1 3.89Å; F520-F754 HydrophobicContact CZ-CD1 3.89Å; F520-F754 HydrophobicContact CZ-CE1 4.23Å; F520-F754 HydrophobicContact CZ-CG 4.27Å; F520-R757 HydrophobicContact CB-CB 4.14Å; F520-R757 HydrophobicContact CD1-CB 3.84Å; F520-R757 HydrophobicContact CD1-CG 3.63Å; F520-R757 HydrophobicContact CD2-CB 3.86Å; F520-R757 HydrophobicContact CE1-CB 4.17Å; F520-R757 HydrophobicContact CE1-CG 3.9Å; F520-R757 HydrophobicContact CE2-CB 4.19Å; F520-R757 HydrophobicContact CG-CB 3.67Å; F520-R757 HydrophobicContact CG-CG 3.99Å; F520-R757 HydrophobicContact CZ-CB 4.34Å; F520-R757 HydrophobicContact CZ-CG 4.48Å |
| 521 | E | 97.6 | Very high | 98.1 | Very high | 25 Ų | 25 | 11.7 Ų | 11.7 | 12% | 0.117 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.8 | -34.3 | 175.8 | -67.8 | 74.6 | -164.9 | 0 | 0 | 112.8 | V429 K492 L494 G519 S525 R757 | V429-E521 HydrophobicContact CG1-CB 3.96Å; K492-E521 HydrophobicContact CB-CG 4.25Å; L494-E521 HydrophobicContact CD2-CB 4.17Å; L494-E521 HydrophobicContact CD2-CG 4.44Å; G519-E521 PolarHBondContact O-N 3.41Å; E521-S525 VanDerWaalsContact O-CB 3.24Å; E521-S525 WeakPolarHBondContact O-CB 3.38Å; E521-S525 PolarHBondContact O-N 2.85Å; E521-S525 PolarHBondContact O-OG 3.4Å; E521-R757 IonicContact OE1-CZ 3.28Å; E521-R757 IonicContact OE1-NH1 3.13Å; E521-R757 PolarHBondContact OE1-NH1 3.21Å |
| 522 | A | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -67.1 | -48.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V429 L516 G519 F520 S525 C526 T545 | V429-A522 HydrophobicContact CB-CB 3.96Å; L516-A522 HydrophobicContact CB-CB 4.4Å; G519-A522 WeakPolarHBondContact O-CB 3.32Å; G519-A522 PolarHBondContact O-N 3.03Å; G519-A522 VanDerWaalsContact O-N 3.09Å; F520-A522 VanDerWaalsContact C-N 3.33Å; F520-A522 PolarHBondContact O-N 3.48Å; A522-S525 PolarHBondContact O-N 2.54Å; A522-C526 PolarHBondContact O-N 3.42Å; A522-T545 HydrophobicContact CB-CG2 3.96Å |
| 523 | F | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -57 | -51.1 | 174.3 | 161.3 | -111 | 0 | 0 | 0 | 111.6 | G519 F520 S525 C526 L527 I554 P555 L732 V745 L748 A752 F754 | G519-F523 PolarHBondContact O-N 3.28Å; F520-F523 HydrophobicContact CE2-CD1 4.42Å; F520-F523 HydrophobicContact CZ-CD1 4.43Å; F520-F523 HydrophobicContact CZ-CE1 4.41Å; F520-F523 PolarHBondContact O-N 3.09Å; F523-S525 VanDerWaalsContact C-N 3.3Å; F523-S525 PolarHBondContact O-N 3.45Å; F523-C526 WeakPolarHBondContact O-CB 3.33Å; F523-C526 PolarHBondContact O-N 3.38Å; F523-L527 HydrophobicContact CZ-CD2 4.45Å; F523-L527 PolarHBondContact O-N 3.12Å; F523-I554 HydrophobicContact CB-CG2 4.11Å; F523-I554 HydrophobicContact CG-CG2 4.48Å; F523-P555 HydrophobicContact CD1-CG 4.14Å; F523-P555 HydrophobicContact CE1-CG 3.78Å; F523-P555 HydrophobicContact CE2-CG 4.33Å; F523-P555 HydrophobicContact CZ-CG 3.89Å; F523-L732 HydrophobicContact CB-CD1 4.24Å; F523-L732 HydrophobicContact CD2-CD1 3.96Å; F523-L732 HydrophobicContact CG-CD1 4.36Å; F523-V745 HydrophobicContact CD2-CB 4.36Å; F523-V745 HydrophobicContact CD2-CG1 4.14Å; F523-V745 HydrophobicContact CE2-CB 4Å; F523-V745 HydrophobicContact CE2-CG1 4.24Å; F523-L748 HydrophobicContact CE2-CB 3.74Å; F523-L748 HydrophobicContact CE2-CD1 4.35Å; F523-L748 HydrophobicContact CZ-CB 3.98Å; F523-A752 HydrophobicContact CE1-CB 3.93Å; F523-A752 HydrophobicContact CZ-CB 4.37Å; F523-F754 HydrophobicContact CE1-CE1 4.09Å; F523-F754 HydrophobicContact CE1-CZ 4.1Å; F523-F754 HydrophobicContact CZ-CZ 4.47Å |
| 524 | H | 98 | Very high | 97.8 | Very high | 52 Ų | 52 | 22.5 Ų | 22.5 | 24% | 0.241 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.8 | -38.3 | -179.4 | -172 | -169.1 | 0 | 0 | 0 | 111.6 | F520 L527 I528 F754 | F520-H524 HydrophobicContact CD1-CB 4.39Å; F520-H524 HydrophobicContact CE1-CB 4.46Å; F520-H524 VanDerWaalsContact O-CB 3.27Å; F520-H524 WeakPolarHBondContact O-CB 3.35Å; F520-H524 PolarHBondContact O-N 3.13Å; H524-L527 PolarHBondContact O-N 2.64Å; H524-I528 WeakPolarHBondContact O-CD1 3.42Å; H524-I528 VanDerWaalsContact O-CG1 3.27Å; H524-I528 WeakPolarHBondContact O-CG1 3.32Å; H524-I528 PolarHBondContact O-N 2.74Å; H524-F754 AromaticContact CD2-CE1 3.8Å |
| 525 | S | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.2 | -43.5 | 175.8 | -61.3 | 0 | 0 | 0 | 0 | 112.3 | F461 L494 P495 E521 A522 F523 L527 I528 M529 | F461-S525 VanDerWaalsContact CE2-CB 3.48Å; F461-S525 VanDerWaalsContact CE2-OG 3.22Å; F461-S525 WeakPolarHBondContact CE2-OG 3.45Å; L494-S525 WeakPolarHBondContact CD2-OG 3.33Å; P495-S525 VanDerWaalsContact CD-OG 3.27Å; P495-S525 WeakPolarHBondContact CD-OG 3.04Å; E521-S525 VanDerWaalsContact O-CB 3.24Å; E521-S525 WeakPolarHBondContact O-CB 3.38Å; E521-S525 PolarHBondContact O-N 2.85Å; E521-S525 PolarHBondContact O-OG 3.4Å; A522-S525 PolarHBondContact O-N 2.54Å; F523-S525 VanDerWaalsContact C-N 3.3Å; F523-S525 PolarHBondContact O-N 3.45Å; S525-L527 VanDerWaalsContact C-N 3.33Å; S525-I528 PolarHBondContact O-N 3.49Å; S525-M529 WeakPolarHBondContact O-CE 3.49Å; S525-M529 WeakPolarHBondContact O-CG 3.22Å; S525-M529 PolarHBondContact O-N 3.19Å; S525-M529 VanDerWaalsContact O-N 3.08Å |
| 526 | C | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 174.8 | -168.3 | 0 | 0 | 0 | 0 | 111.4 | L516 A522 F523 M529 T530 T545 V745 | L516-C526 HydrophobicContact CD1-CB 3.63Å; A522-C526 PolarHBondContact O-N 3.42Å; F523-C526 WeakPolarHBondContact O-CB 3.33Å; F523-C526 PolarHBondContact O-N 3.38Å; C526-M529 PolarHBondContact O-N 2.57Å; C526-T530 WeakPolarHBondContact O-CB 3.14Å; C526-T530 PolarHBondContact O-N 3.34Å; C526-T530 PolarHBondContact O-OG1 2.83Å; C526-T545 VanDerWaalsContact CB-OG1 3.27Å; C526-T545 WeakPolarHBondContact CB-OG1 3.47Å; C526-V745 HydrophobicContact CB-CG1 4.13Å |
| 527 | L | 98.2 | Very high | 97.5 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.1 | -50 | 177 | 179.2 | 62.8 | 0 | 0 | 0 | 111.7 | F523 H524 S525 M529 T530 E531 V745 M746 K749 F754 | F523-L527 HydrophobicContact CZ-CD2 4.45Å; F523-L527 PolarHBondContact O-N 3.12Å; H524-L527 PolarHBondContact O-N 2.64Å; S525-L527 VanDerWaalsContact C-N 3.33Å; L527-M529 VanDerWaalsContact C-N 3.34Å; L527-M529 PolarHBondContact O-N 2.94Å; L527-T530 WeakPolarHBondContact O-CB 3.39Å; L527-T530 PolarHBondContact O-N 3.36Å; L527-T530 VanDerWaalsContact O-N 3.08Å; L527-E531 HydrophobicContact CD1-CG 4.28Å; L527-E531 WeakPolarHBondContact O-CG 3.48Å; L527-E531 PolarHBondContact O-N 3.25Å; L527-V745 HydrophobicContact CB-CB 4.49Å; L527-V745 HydrophobicContact CB-CG2 4.44Å; L527-V745 HydrophobicContact CD1-CG2 4.26Å; L527-M746 HydrophobicContact CD1-SD 3.52Å; L527-M746 VanDerWaalsContact CD1-SD 3.52Å; L527-K749 HydrophobicContact CD1-CB 4.32Å; L527-K749 HydrophobicContact CD1-CD 4.33Å; L527-K749 HydrophobicContact CD2-CB 4.07Å; L527-K749 HydrophobicContact CD2-CD 4.12Å; L527-K749 HydrophobicContact CD2-CG 3.89Å; L527-F754 HydrophobicContact CD2-CE1 3.81Å; L527-F754 HydrophobicContact CD2-CZ 3.47Å; L527-F754 VanDerWaalsContact CD2-CZ 3.47Å |
| 528 | I | 97.9 | Very high | 97.4 | Very high | 16 Ų | 16 | 38.8 Ų | 38.8 | 8% | 0.082 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.1 | -48.1 | 178.3 | -70.9 | 161.4 | 0 | 0 | 0 | 111.1 | L494 P495 T496 M499 H524 S525 T530 E531 L532 | L494-I528 HydrophobicContact CD1-CD1 4.23Å; P495-I528 HydrophobicContact CG-CB 4.31Å; P495-I528 HydrophobicContact CG-CG2 4.06Å; T496-I528 HydrophobicContact CG2-CD1 4.14Å; T496-I528 HydrophobicContact CG2-CG2 3.98Å; M499-I528 HydrophobicContact CE-CG2 3.79Å; H524-I528 WeakPolarHBondContact O-CD1 3.42Å; H524-I528 VanDerWaalsContact O-CG1 3.27Å; H524-I528 WeakPolarHBondContact O-CG1 3.32Å; H524-I528 PolarHBondContact O-N 2.74Å; S525-I528 PolarHBondContact O-N 3.49Å; I528-T530 VanDerWaalsContact C-N 3.28Å; I528-T530 PolarHBondContact O-N 3.17Å; I528-E531 PolarHBondContact O-N 3.27Å; I528-L532 HydrophobicContact CG2-CD1 3.92Å; I528-L532 WeakPolarHBondContact O-CB 3.38Å; I528-L532 WeakPolarHBondContact O-CG 3.41Å; I528-L532 PolarHBondContact O-N 2.66Å; I528-L532 VanDerWaalsContact O-N 3.15Å |
| 529 | M | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.5 | -37 | 179.2 | -69.9 | -176.4 | -66.9 | 0 | 0 | 111.5 | F461 P495 L514 L516 S525 C526 L527 L532 R533 F539 M543 | F461-M529 HydrophobicContact CE1-SD 4.3Å; F461-M529 HydrophobicContact CZ-CE 4.21Å; P495-M529 HydrophobicContact CB-CG 4.4Å; P495-M529 HydrophobicContact CG-CG 4.2Å; L514-M529 HydrophobicContact CD2-CE 3.64Å; L514-M529 HydrophobicContact CD2-SD 4.12Å; L516-M529 HydrophobicContact CD1-CE 3.9Å; S525-M529 WeakPolarHBondContact O-CE 3.49Å; S525-M529 WeakPolarHBondContact O-CG 3.22Å; S525-M529 PolarHBondContact O-N 3.19Å; S525-M529 VanDerWaalsContact O-N 3.08Å; C526-M529 PolarHBondContact O-N 2.57Å; L527-M529 VanDerWaalsContact C-N 3.34Å; L527-M529 PolarHBondContact O-N 2.94Å; M529-L532 PolarHBondContact O-N 2.98Å; M529-R533 PolarHBondContact O-N 2.64Å; M529-F539 HydrophobicContact CB-CB 4.33Å; M529-F539 HydrophobicContact CB-CD1 3.97Å; M529-F539 HydrophobicContact CB-CD2 4.11Å; M529-F539 HydrophobicContact CB-CE1 4.29Å; M529-F539 HydrophobicContact CB-CE2 4.42Å; M529-F539 HydrophobicContact CB-CG 3.89Å; M529-F539 HydrophobicContact CG-CD1 3.92Å; M529-F539 HydrophobicContact CG-CD2 4.36Å; M529-F539 HydrophobicContact CG-CE1 3.74Å; M529-F539 HydrophobicContact CG-CE2 4.2Å; M529-F539 HydrophobicContact CG-CG 4.25Å; M529-F539 HydrophobicContact CG-CZ 3.9Å; M529-F539 WeakPolarHBondContact O-CB 3.21Å; M529-F539 WeakPolarHBondContact O-CD2 3.34Å; M529-F539 HydrophobicContact SD-CD1 4.04Å; M529-F539 HydrophobicContact SD-CE1 3.8Å; M529-F539 HydrophobicContact SD-CZ 4.45Å; M529-M543 HydrophobicContact CB-CE 4.08Å; M529-M543 HydrophobicContact CB-SD 3.93Å; M529-M543 HydrophobicContact CE-SD 3.87Å; M529-M543 HydrophobicContact SD-SD 4.38Å |
| 530 | T | 97.8 | Very high | 97.4 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 9% | 0.086 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.9 | -45.6 | 177.5 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | C526 L527 I528 L532 R533 M543 A730 V745 M746 | C526-T530 WeakPolarHBondContact O-CB 3.14Å; C526-T530 PolarHBondContact O-N 3.34Å; C526-T530 PolarHBondContact O-OG1 2.83Å; L527-T530 WeakPolarHBondContact O-CB 3.39Å; L527-T530 PolarHBondContact O-N 3.36Å; L527-T530 VanDerWaalsContact O-N 3.08Å; I528-T530 VanDerWaalsContact C-N 3.28Å; I528-T530 PolarHBondContact O-N 3.17Å; T530-L532 PolarHBondContact O-N 3.27Å; T530-R533 WeakPolarHBondContact O-CB 3.19Å; T530-R533 VanDerWaalsContact O-CG 3.31Å; T530-R533 WeakPolarHBondContact O-CG 3.25Å; T530-R533 PolarHBondContact O-N 3.26Å; T530-M543 WeakPolarHBondContact OG1-CE 3.39Å; T530-A730 HydrophobicContact CG2-CB 3.87Å; T530-A730 WeakPolarHBondContact OG1-CB 3.47Å; T530-V745 HydrophobicContact CG2-CG2 4.4Å; T530-M746 HydrophobicContact CG2-CG 3.96Å; T530-M746 HydrophobicContact CG2-SD 4.08Å |
| 531 | E | 96.8 | Very high | 97.5 | Very high | 87 Ų | 87 | 39 Ų | 39 | 41% | 0.407 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.9 | -28.6 | 177.3 | -69.5 | -178.4 | 152.6 | 0 | 0 | 112.4 | L527 I528 M746 K749 | L527-E531 HydrophobicContact CD1-CG 4.28Å; L527-E531 WeakPolarHBondContact O-CG 3.48Å; L527-E531 PolarHBondContact O-N 3.25Å; I528-E531 PolarHBondContact O-N 3.27Å; E531-M746 HydrophobicContact CG-CE 4.3Å; E531-M746 HydrophobicContact CG-SD 3.94Å; E531-K749 WeakPolarHBondContact OE1-CE 3.32Å; E531-K749 IonicContact OE1-NZ 2.84Å; E531-K749 PolarHBondContact OE1-NZ 3.45Å |
| 532 | L | 96.8 | Very high | 97.5 | Very high | 52 Ų | 52 | 37.9 Ų | 37.9 | 27% | 0.272 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -91.2 | 7.2 | -179.6 | -66 | 175.5 | 0 | 0 | 0 | 114.4 | M499 I528 M529 T530 Q534 K535 F536 F539 | M499-L532 HydrophobicContact CE-CD1 3.38Å; M499-L532 HydrophobicContact CG-CD1 4.34Å; M499-L532 HydrophobicContact SD-CD1 3.89Å; I528-L532 HydrophobicContact CG2-CD1 3.92Å; I528-L532 WeakPolarHBondContact O-CB 3.38Å; I528-L532 WeakPolarHBondContact O-CG 3.41Å; I528-L532 PolarHBondContact O-N 2.66Å; I528-L532 VanDerWaalsContact O-N 3.15Å; M529-L532 PolarHBondContact O-N 2.98Å; T530-L532 PolarHBondContact O-N 3.27Å; L532-Q534 PolarHBondContact O-N 3.06Å; L532-K535 PolarHBondContact O-N 3.48Å; L532-F536 HydrophobicContact CB-CD2 4.11Å; L532-F536 HydrophobicContact CD1-CE2 4.43Å; L532-F536 PolarHBondContact O-N 3.43Å; L532-F539 HydrophobicContact CB-CD2 3.93Å; L532-F539 HydrophobicContact CB-CE2 4.09Å; L532-F539 HydrophobicContact CD1-CE2 4.47Å |
| 533 | R | 97.1 | Very high | 97.5 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 6% | 0.057 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -55.5 | -33.3 | 176.9 | -81 | 176.3 | 168.5 | -178.9 | -6 | 113.7 | M529 T530 K535 F539 C540 I541 A726 S729 | M529-R533 PolarHBondContact O-N 2.64Å; T530-R533 WeakPolarHBondContact O-CB 3.19Å; T530-R533 VanDerWaalsContact O-CG 3.31Å; T530-R533 WeakPolarHBondContact O-CG 3.25Å; T530-R533 PolarHBondContact O-N 3.26Å; R533-K535 PolarHBondContact O-N 3.48Å; R533-F539 HydrophobicContact CG-CB 4.03Å; R533-F539 WeakPolarHBondContact CG-O 3.41Å; R533-F539 PolarHBondContact NE-O 2.94Å; R533-C540 PolarHBondContact O-SG 3.48Å; R533-I541 PolarHBondContact NH2-O 3.5Å; R533-A726 PolarHBondContact NH1-O 3.41Å; R533-S729 PolarHBondContact NH1-OG 3.49Å; R533-S729 VanDerWaalsContact NH1-OG 3.09Å; R533-S729 PolarHBondContact NH2-OG 3.32Å |
| 534 | Q | 95.1 | Very high | 97.6 | Very high | 201 Ų | 201 | 38 Ų | 38 | 94% | 0.939 | 17% | 0.172 | S | C | * | . | G | 310 helix | trans | -66.9 | -25.9 | 176.6 | -65.6 | -173.2 | -4.9 | 0 | 0 | 112.9 | L532 | L532-Q534 PolarHBondContact O-N 3.06Š|
| 535 | K | 96.4 | Very high | 97.6 | Very high | 153 Ų | 153 | 35.6 Ų | 35.6 | 67% | 0.665 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -35.1 | -177.9 | -173.3 | 174.2 | 178 | 179.7 | 0 | 112.5 | L532 R533 | L532-K535 PolarHBondContact O-N 3.48Å; R533-K535 PolarHBondContact O-N 3.48Å |
| 536 | F | 97 | Very high | 97.6 | Very high | 30 Ų | 30 | 35.6 Ų | 35.6 | 13% | 0.132 | 16% | 0.16 | C | C | . | . | trans | -127.4 | 115.9 | -174.8 | -56.8 | -69.5 | 0 | 0 | 0 | 111.2 | M499 V503 L532 E538 F539 | M499-F536 HydrophobicContact CG-CD2 4.23Å; M499-F536 HydrophobicContact CG-CE2 3.51Å; M499-F536 HydrophobicContact CG-CZ 3.88Å; V503-F536 HydrophobicContact CB-CD1 4.31Å; V503-F536 HydrophobicContact CG1-CB 4.48Å; V503-F536 HydrophobicContact CG1-CD1 4.01Å; V503-F536 HydrophobicContact CG2-CB 3.85Å; V503-F536 HydrophobicContact CG2-CD1 3.68Å; V503-F536 HydrophobicContact CG2-CD2 4.15Å; V503-F536 HydrophobicContact CG2-CE1 4.19Å; V503-F536 HydrophobicContact CG2-CG 3.63Å; L532-F536 HydrophobicContact CB-CD2 4.11Å; L532-F536 HydrophobicContact CD1-CE2 4.43Å; L532-F536 PolarHBondContact O-N 3.43Å; F536-E538 PolarHBondContact O-N 3.4Å; F536-F539 HydrophobicContact CB-CD2 3.76Å; F536-F539 HydrophobicContact CB-CE2 4Å; F536-F539 HydrophobicContact CB-CG 4.32Å; F536-F539 AromaticContact CD2-CD2 3.95Å; F536-F539 HydrophobicContact CD2-CD2 3.95Å; F536-F539 AromaticContact CD2-CE2 3.55Å; F536-F539 HydrophobicContact CD2-CE2 3.55Å; F536-F539 HydrophobicContact CD2-CZ 4.49Å; F536-F539 HydrophobicContact CE2-CE2 4.35Å; F536-F539 HydrophobicContact CG-CD2 4.3Å; F536-F539 HydrophobicContact CG-CE2 4.09Å; F536-F539 PolarHBondContact O-N 3.3Å | ||
| 537 | R | 96 | Very high | 97.6 | Very high | 131 Ų | 131 | 35.7 Ų | 35.7 | 49% | 0.494 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -58.7 | -33.3 | 177.2 | 177.2 | -179.7 | 174.1 | 106.2 | -2.3 | 111.5 | F539 C540 S721 Y723 | R537-F539 PolarHBondContact O-N 2.94Å; R537-C540 WeakPolarHBondContact O-CA 3.15Å; R537-C540 WeakPolarHBondContact O-CB 3.42Å; R537-C540 PolarHBondContact O-N 3.24Å; R537-S721 PolarHBondContact NH2-OG 2.9Å; R537-Y723 HydrophobicContact CG-CD2 4.06Å; R537-Y723 HydrophobicContact CG-CE2 4.07Å |
| 538 | E | 97.2 | Very high | 97.6 | Very high | 29 Ų | 29 | 35.6 Ų | 35.6 | 14% | 0.136 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -67 | -16.3 | -176.3 | -66.1 | 71.2 | -164.8 | 0 | 0 | 113.3 | V503 L506 R507 F536 | V503-E538 HydrophobicContact CG1-CB 4.05Å; V503-E538 HydrophobicContact CG1-CG 3.81Å; V503-E538 WeakPolarHBondContact CG1-OE2 3.35Å; L506-E538 HydrophobicContact CB-CB 4.24Å; R507-E538 HydrophobicContact CB-CG 3.94Å; R507-E538 IonicContact CZ-OE1 3.59Å; R507-E538 IonicContact NE-OE1 2.65Å; R507-E538 PolarHBondContact NE-OE1 3.2Å; R507-E538 VanDerWaalsContact NH2-CD 3.29Å; R507-E538 IonicContact NH2-OE1 3.05Å; R507-E538 PolarHBondContact NH2-OE1 3.3Å; R507-E538 IonicContact NH2-OE2 3.29Å; R507-E538 PolarHBondContact NH2-OE2 3.08Å; F536-E538 PolarHBondContact O-N 3.4Å |
| 539 | F | 97.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -90.9 | -7.3 | 170.7 | -59.1 | -29.7 | 0 | 0 | 0 | 113.2 | M499 V502 V503 L506 M529 L532 R533 F536 R537 I541 | M499-F539 HydrophobicContact CG-CE2 4.34Å; M499-F539 HydrophobicContact CG-CZ 4.37Å; M499-F539 HydrophobicContact SD-CE2 3.54Å; M499-F539 VanDerWaalsContact SD-CE2 3.54Å; M499-F539 HydrophobicContact SD-CZ 3.42Å; M499-F539 WeakPolarHBondContact SD-CZ 3.3Å; V502-F539 HydrophobicContact CG1-CE1 4.11Å; V502-F539 HydrophobicContact CG1-CZ 4.34Å; V503-F539 HydrophobicContact CG2-CE1 3.93Å; V503-F539 HydrophobicContact CG2-CE2 3.99Å; V503-F539 HydrophobicContact CG2-CZ 3.5Å; V503-F539 VanDerWaalsContact CG2-CZ 3.5Å; L506-F539 HydrophobicContact CD1-CD1 4.01Å; L506-F539 HydrophobicContact CD1-CE1 3.8Å; M529-F539 HydrophobicContact CB-CB 4.33Å; M529-F539 HydrophobicContact CB-CD1 3.97Å; M529-F539 HydrophobicContact CB-CD2 4.11Å; M529-F539 HydrophobicContact CB-CE1 4.29Å; M529-F539 HydrophobicContact CB-CE2 4.42Å; M529-F539 HydrophobicContact CB-CG 3.89Å; M529-F539 HydrophobicContact CG-CD1 3.92Å; M529-F539 HydrophobicContact CG-CD2 4.36Å; M529-F539 HydrophobicContact CG-CE1 3.74Å; M529-F539 HydrophobicContact CG-CE2 4.2Å; M529-F539 HydrophobicContact CG-CG 4.25Å; M529-F539 HydrophobicContact CG-CZ 3.9Å; M529-F539 WeakPolarHBondContact O-CB 3.21Å; M529-F539 WeakPolarHBondContact O-CD2 3.34Å; M529-F539 HydrophobicContact SD-CD1 4.04Å; M529-F539 HydrophobicContact SD-CE1 3.8Å; M529-F539 HydrophobicContact SD-CZ 4.45Å; L532-F539 HydrophobicContact CB-CD2 3.93Å; L532-F539 HydrophobicContact CB-CE2 4.09Å; L532-F539 HydrophobicContact CD1-CE2 4.47Å; R533-F539 HydrophobicContact CG-CB 4.03Å; R533-F539 WeakPolarHBondContact CG-O 3.41Å; R533-F539 PolarHBondContact NE-O 2.94Å; F536-F539 HydrophobicContact CB-CD2 3.76Å; F536-F539 HydrophobicContact CB-CE2 4Å; F536-F539 HydrophobicContact CB-CG 4.32Å; F536-F539 AromaticContact CD2-CD2 3.95Å; F536-F539 HydrophobicContact CD2-CD2 3.95Å; F536-F539 AromaticContact CD2-CE2 3.55Å; F536-F539 HydrophobicContact CD2-CE2 3.55Å; F536-F539 HydrophobicContact CD2-CZ 4.49Å; F536-F539 HydrophobicContact CE2-CE2 4.35Å; F536-F539 HydrophobicContact CG-CD2 4.3Å; F536-F539 HydrophobicContact CG-CE2 4.09Å; F536-F539 PolarHBondContact O-N 3.3Å; R537-F539 PolarHBondContact O-N 2.94Å; F539-I541 PolarHBondContact O-N 2.94Å |
| 540 | C | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -79.6 | 46.9 | 175.5 | -56.8 | 0 | 0 | 0 | 0 | 111 | R533 R537 Y723 T724 T725 | R533-C540 PolarHBondContact O-SG 3.48Å; R537-C540 WeakPolarHBondContact O-CA 3.15Å; R537-C540 WeakPolarHBondContact O-CB 3.42Å; R537-C540 PolarHBondContact O-N 3.24Å; C540-Y723 HydrophobicContact CB-CD2 3.5Å; C540-Y723 VanDerWaalsContact CB-CD2 3.5Å; C540-Y723 HydrophobicContact CB-CE2 3.32Å; C540-Y723 HydrophobicContact CB-CG 4.3Å; C540-Y723 CarbonylContact O-C 3.57Å; C540-Y723 VanDerWaalsContact O-CA 3.29Å; C540-Y723 WeakPolarHBondContact O-CA 3.47Å; C540-Y723 VanDerWaalsContact SG-CE2 3.58Å; C540-T724 CarbonylContact C-O 3.59Å; C540-T724 VanDerWaalsContact C-O 3.23Å; C540-T724 WeakPolarHBondContact CA-O 3.46Å; C540-T724 WeakPolarHBondContact CB-O 3.43Å; C540-T724 PolarHBondContact O-N 2.87Å; C540-T725 HydrophobicContact CB-CG2 4.47Å |
| 541 | I | 98.1 | Very high | 97.6 | Very high | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.046 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -124.5 | 159 | 176.2 | 58.5 | 175.8 | 0 | 0 | 0 | 109.3 | I511 L514 R533 F539 M543 | I511-I541 HydrophobicContact CG2-CD1 4.06Å; L514-I541 HydrophobicContact CB-CD1 4.5Å; R533-I541 PolarHBondContact NH2-O 3.5Å; F539-I541 PolarHBondContact O-N 2.94Å; I541-M543 HydrophobicContact CG1-CG 4.41Å |
| 542 | P | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | trans | -59.7 | 135.2 | 170.1 | -24.5 | 35.1 | 0 | 0 | 0 | 112.4 | D512 G513 L514 L708 K711 A712 V722 T724 S729 | D512-P542 WeakPolarHBondContact O-CD 3.42Å; G513-P542 CarbonylContact C-O 3.56Å; G513-P542 VanDerWaalsContact CA-O 3.25Å; G513-P542 WeakPolarHBondContact CA-O 3.47Å; L514-P542 PolarHBondContact N-O 3.47Å; P542-L708 HydrophobicContact CB-CD2 3.68Å; P542-L708 WeakPolarHBondContact O-CD2 3.36Å; P542-K711 HydrophobicContact CB-CB 3.84Å; P542-K711 HydrophobicContact CG-CB 3.84Å; P542-A712 HydrophobicContact CG-CB 4.41Å; P542-V722 HydrophobicContact CG-CG1 4.32Å; P542-T724 HydrophobicContact CG-CG2 4.06Å; P542-S729 CarbonylContact C-O 3.56Å; P542-S729 VanDerWaalsContact CA-O 3.24Å; P542-S729 WeakPolarHBondContact CA-O 3.48Å | ||
| 543 | M | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 128.9 | 178.4 | -60.7 | -175.6 | -78.6 | 0 | 0 | 109.7 | L514 M529 T530 I541 S729 A730 V731 | L514-M543 HydrophobicContact CB-CG 4.14Å; L514-M543 VanDerWaalsContact O-CA 3.32Å; L514-M543 WeakPolarHBondContact O-CA 2.81Å; M529-M543 HydrophobicContact CB-CE 4.08Å; M529-M543 HydrophobicContact CB-SD 3.93Å; M529-M543 HydrophobicContact CE-SD 3.87Å; M529-M543 HydrophobicContact SD-SD 4.38Å; T530-M543 WeakPolarHBondContact OG1-CE 3.39Å; I541-M543 HydrophobicContact CG1-CG 4.41Å; M543-S729 PolarHBondContact N-O 2.88Å; M543-A730 HydrophobicContact CB-CB 4.46Å; M543-A730 HydrophobicContact CE-CB 3.98Å; M543-A730 WeakPolarHBondContact O-CA 3.49Å; M543-V731 PolarHBondContact O-N 2.91Å |
| 544 | V | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129 | 175.1 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | L514 F515 L516 A704 T707 L708 V731 L733 | L514-V544 PolarHBondContact O-N 2.88Å; F515-V544 WeakPolarHBondContact CA-O 3.41Å; F515-V544 HydrophobicContact CD2-CB 4.06Å; F515-V544 HydrophobicContact CD2-CG1 4.15Å; F515-V544 WeakPolarHBondContact CD2-O 3.47Å; F515-V544 HydrophobicContact CE2-CG1 4.09Å; L516-V544 PolarHBondContact N-O 2.95Å; V544-A704 HydrophobicContact CG1-CB 3.82Å; V544-T707 HydrophobicContact CG2-CG2 4Å; V544-L708 HydrophobicContact CB-CD2 4.43Å; V544-L708 HydrophobicContact CB-CG 4.26Å; V544-L708 HydrophobicContact CG2-CD2 3.76Å; V544-L708 HydrophobicContact CG2-CG 3.7Å; V544-V731 CarbonylContact C-O 3.52Å; V544-V731 WeakPolarHBondContact CA-O 3.39Å; V544-V731 HydrophobicContact CB-CG2 4.45Å; V544-V731 HydrophobicContact CG1-CG2 4.43Å; V544-V731 HydrophobicContact CG2-CG2 3.84Å; V544-L733 HydrophobicContact CG1-CB 4.09Å |
| 545 | T | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.4 | 171.9 | -55.2 | 0 | 0 | 0 | 0 | 110.2 | L516 A522 C526 V731 L732 L733 | L516-T545 HydrophobicContact CB-CG2 4.38Å; L516-T545 CarbonylContact O-C 3.6Å; L516-T545 VanDerWaalsContact O-CA 3.28Å; L516-T545 WeakPolarHBondContact O-CA 3.33Å; A522-T545 HydrophobicContact CB-CG2 3.96Å; C526-T545 VanDerWaalsContact CB-OG1 3.27Å; C526-T545 WeakPolarHBondContact CB-OG1 3.47Å; T545-V731 PolarHBondContact N-O 3.26Å; T545-L732 CarbonylContact O-C 3.45Å; T545-L732 WeakPolarHBondContact O-CA 3.05Å; T545-L733 PolarHBondContact O-N 3.29Å |
| 546 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 114.8 | 173.3 | -178.9 | 61.3 | 0 | 0 | 0 | 110.4 | A439 F515 L516 I517 G518 C548 I561 M700 A701 | A439-L546 HydrophobicContact CB-CD2 3.72Å; F515-L546 HydrophobicContact CE2-CB 3.65Å; F515-L546 HydrophobicContact CZ-CB 3.68Å; F515-L546 HydrophobicContact CZ-CD2 3.75Å; F515-L546 HydrophobicContact CZ-CG 4.34Å; L516-L546 PolarHBondContact O-N 3.12Å; I517-L546 HydrophobicContact CG1-CB 4.37Å; G518-L546 PolarHBondContact N-O 3.18Å; L546-C548 PolarHBondContact O-N 3.01Å; L546-C548 VanDerWaalsContact O-N 3.15Å; L546-I561 HydrophobicContact CD1-CD1 3.76Å; L546-I561 HydrophobicContact CD2-CD1 3.59Å; L546-I561 HydrophobicContact CG-CD1 3.66Å; L546-M700 HydrophobicContact CD1-CB 3.47Å; L546-M700 VanDerWaalsContact CD1-CB 3.47Å; L546-M700 HydrophobicContact CD1-CE 3.65Å; L546-M700 HydrophobicContact CD1-CG 4.28Å; L546-M700 HydrophobicContact CD1-SD 3.9Å; L546-M700 HydrophobicContact CD2-CB 4.33Å; L546-A701 HydrophobicContact CD2-CB 4.27Å |
| 547 | P | 98.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 12.8 Ų | 12.8 | 2% | 0.019 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 112.4 | 178.3 | -25.6 | 36.4 | 0 | 0 | 0 | 112.7 | I554 T557 I561 L732 L733 | P547-I554 HydrophobicContact CB-CD1 3.81Å; P547-T557 HydrophobicContact CB-CG2 3.7Å; P547-T557 HydrophobicContact CG-CG2 3.85Å; P547-I561 PolarHBondContact O-N 2.99Å; P547-L732 HydrophobicContact CG-CD1 3.98Å; P547-L732 HydrophobicContact CG-CD2 3.61Å; P547-L732 HydrophobicContact CG-CG 3.78Å; P547-L733 WeakPolarHBondContact CD-O 3.21Å |
| 548 | C | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.049 | C | C | . | . | B | Isolated β-bridge | trans | -138.5 | 101.9 | 177.6 | -170.3 | 0 | 0 | 0 | 0 | 110.5 | M436 I517 G518 G519 L546 I561 | M436-C548 HydrophobicContact CG-CB 4.42Å; M436-C548 WeakPolarHBondContact CG-SG 3.28Å; I517-C548 HydrophobicContact CG2-CB 3.71Å; G518-C548 CarbonylContact C-O 3.49Å; G518-C548 VanDerWaalsContact CA-O 3.3Å; G518-C548 WeakPolarHBondContact CA-O 3.36Å; G518-C548 PolarHBondContact O-N 3.42Å; G519-C548 PolarHBondContact N-O 3.18Å; L546-C548 PolarHBondContact O-N 3.01Å; L546-C548 VanDerWaalsContact O-N 3.15Å; C548-I561 CarbonylContact C-O 3.54Å; C548-I561 VanDerWaalsContact CA-O 3.27Å; C548-I561 WeakPolarHBondContact CA-O 3.5Å; C548-I561 HydrophobicContact CB-CB 4.11Å; C548-I561 HydrophobicContact CB-CG2 4.46Å; C548-I561 PolarHBondContact SG-O 2.72Å |
| 549 | T | 97.9 | Very high | 96.8 | Very high | 14 Ų | 14 | 8.2 Ų | 8.2 | 9% | 0.086 | 5% | 0.05 | C | C | . | . | trans | -162.6 | 149.5 | -178.7 | 175.9 | 0 | 0 | 0 | 0 | 109.4 | S551 I554 S560 I561 | T549-S551 VanDerWaalsContact C-N 3.29Å; T549-S551 PolarHBondContact OG1-N 3.24Å; T549-I554 HydrophobicContact CG2-CD1 3.5Å; T549-I554 HydrophobicContact CG2-CG1 3.9Å; T549-S560 WeakPolarHBondContact CG2-OG 3.34Å; T549-S560 PolarHBondContact O-OG 3.38Å; T549-I561 PolarHBondContact N-O 3.36Å | ||
| 550 | I | 97.7 | Very high | 96.8 | Very high | 8 Ų | 8 | 8.2 Ų | 8.2 | 4% | 0.041 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -71.1 | -26.8 | 173.2 | 66.1 | 171.9 | 0 | 0 | 0 | 112.3 | A433 N552 A566 M594 L601 Q684 Q685 | A433-I550 HydrophobicContact CB-CG2 4.27Å; I550-N552 PolarHBondContact O-N 3Å; I550-A566 HydrophobicContact CB-CB 3.66Å; I550-A566 HydrophobicContact CG2-CB 3.8Å; I550-M594 HydrophobicContact CD1-CB 4.07Å; I550-M594 HydrophobicContact CD1-CE 4.38Å; I550-M594 HydrophobicContact CD1-SD 4.02Å; I550-L601 HydrophobicContact CB-CD1 4.38Å; I550-L601 HydrophobicContact CD1-CD1 4.39Å; I550-L601 HydrophobicContact CG1-CD1 4.29Å; I550-L601 WeakPolarHBondContact O-CD1 3.46Å; I550-L601 WeakPolarHBondContact O-CD2 3.48Å; I550-L601 WeakPolarHBondContact O-CG 3.39Å; I550-Q684 HydrophobicContact CD1-CB 4.33Å; I550-Q685 HydrophobicContact CD1-CG 4.22Å |
| 551 | S | 97.5 | Very high | 96.8 | Very high | 18 Ų | 18 | 8.2 Ų | 8.2 | 13% | 0.126 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -79.8 | -16.9 | -168.7 | -52.2 | 0 | 0 | 0 | 0 | 114.1 | T549 N553 C598 | T549-S551 VanDerWaalsContact C-N 3.29Å; T549-S551 PolarHBondContact OG1-N 3.24Å; S551-N553 VanDerWaalsContact C-N 3.26Å; S551-N553 PolarHBondContact O-N 3.48Å; S551-C598 PolarHBondContact O-SG 3.01Å |
| 552 | N | 97.1 | Very high | 96.8 | Very high | 11 Ų | 11 | 7.8 Ų | 7.8 | 6% | 0.059 | 5% | 0.048 | C | C | . | . | trans | 48.1 | 47.5 | -173.7 | -162 | 34.1 | 0 | 0 | 0 | 113.1 | I550 S558 I559 S560 Y600 | I550-N552 PolarHBondContact O-N 3Å; N552-S558 PolarHBondContact ND2-O 2.93Å; N552-I559 WeakPolarHBondContact OD1-CA 3.36Å; N552-S560 VanDerWaalsContact CA-OG 3.25Å; N552-S560 WeakPolarHBondContact CA-OG 3.23Å; N552-S560 PolarHBondContact N-OG 2.86Å; N552-S560 PolarHBondContact OD1-N 2.9Å; N552-S560 PolarHBondContact OD1-OG 3.41Å; N552-Y600 HydrophobicContact CB-CD1 3.62Å; N552-Y600 HydrophobicContact CB-CD2 4.1Å; N552-Y600 HydrophobicContact CB-CE1 3.8Å; N552-Y600 HydrophobicContact CB-CE2 4.22Å; N552-Y600 HydrophobicContact CB-CG 3.79Å; N552-Y600 WeakPolarHBondContact ND2-CD2 3.37Å; N552-Y600 WeakPolarHBondContact ND2-CE2 3.48Å | ||
| 553 | N | 96.5 | Very high | 96.7 | Very high | 16 Ų | 16 | 7.8 Ų | 7.8 | 9% | 0.086 | 5% | 0.048 | C | C | . | . | trans | -110.4 | 18.4 | -171.3 | 69.9 | -45.3 | 0 | 0 | 0 | 113.5 | S551 C598 R757 L758 S759 | S551-N553 VanDerWaalsContact C-N 3.26Å; S551-N553 PolarHBondContact O-N 3.48Å; N553-C598 HydrophobicContact CB-CB 3.83Å; N553-R757 PolarHBondContact ND2-O 3.27Å; N553-L758 HydrophobicContact CB-CD2 4.39Å; N553-S759 PolarHBondContact O-N 3.48Å | ||
| 554 | I | 94.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 8.1 Ų | 8.1 | 1% | 0.01 | 5% | 0.05 | C | C | . | . | trans | -104.8 | 132.9 | -173.4 | -53 | 169 | 0 | 0 | 0 | 108.6 | G518 G519 F523 P547 T549 L732 | G518-I554 WeakPolarHBondContact O-CD1 3.49Å; G519-I554 VanDerWaalsContact C-CD1 3.47Å; F523-I554 HydrophobicContact CB-CG2 4.11Å; F523-I554 HydrophobicContact CG-CG2 4.48Å; P547-I554 HydrophobicContact CB-CD1 3.81Å; T549-I554 HydrophobicContact CG2-CD1 3.5Å; T549-I554 HydrophobicContact CG2-CG1 3.9Å; I554-L732 HydrophobicContact CG2-CD1 3.64Å | ||
| 555 | P | 95.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 158.8 | 175.4 | 30.5 | -39 | 0 | 0 | 0 | 112 | F523 T557 L748 Q751 A752 | F523-P555 HydrophobicContact CD1-CG 4.14Å; F523-P555 HydrophobicContact CE1-CG 3.78Å; F523-P555 HydrophobicContact CE2-CG 4.33Å; F523-P555 HydrophobicContact CZ-CG 3.89Å; P555-T557 VanDerWaalsContact C-N 3.27Å; P555-T557 PolarHBondContact O-N 2.84Å; P555-L748 HydrophobicContact CB-CB 4.36Å; P555-L748 HydrophobicContact CB-CD2 4.37Å; P555-L748 HydrophobicContact CG-CB 4.27Å; P555-Q751 HydrophobicContact CB-CB 4.16Å; P555-A752 HydrophobicContact CG-CB 4.11Å |
| 556 | G | 93.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 8.1 Ų | 8.1 | 6% | 0.062 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -0.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R736 | G556-R736 WeakPolarHBondContact O-CG 3.42Š|
| 557 | T | 94.7 | Very high | 96.6 | Very high | 15 Ų | 15 | 8.3 Ų | 8.3 | 9% | 0.092 | 5% | 0.051 | C | C | . | . | trans | -136 | 142 | 171 | -164.4 | 0 | 0 | 0 | 0 | 112.3 | P547 P555 I559 I735 | P547-T557 HydrophobicContact CB-CG2 3.7Å; P547-T557 HydrophobicContact CG-CG2 3.85Å; P555-T557 VanDerWaalsContact C-N 3.27Å; P555-T557 PolarHBondContact O-N 2.84Å; T557-I559 PolarHBondContact OG1-N 3.4Å; T557-I559 PolarHBondContact OG1-O 3.49Å; T557-I735 PolarHBondContact OG1-N 3.38Å | ||
| 558 | S | 91.9 | Very high | 96.6 | Very high | 33 Ų | 33 | 9.3 Ų | 9.3 | 23% | 0.231 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -79.1 | -25.8 | 170.2 | 53.1 | 0 | 0 | 0 | 0 | 112.5 | N552 I735 W763 | N552-S558 PolarHBondContact ND2-O 2.93Å; S558-I735 WeakPolarHBondContact CB-O 3.48Å; S558-I735 PolarHBondContact N-O 3.44Å; S558-I735 PolarHBondContact OG-O 2.92Å; S558-W763 PolarHBondContact O-NE1 3.44Å |
| 559 | I | 93.4 | Very high | 96.6 | Very high | 32 Ų | 32 | 11.2 Ų | 11.2 | 16% | 0.164 | 7% | 0.065 | C | C | . | . | trans | -141.9 | 127.2 | 179.6 | -167.7 | 160.9 | 0 | 0 | 0 | 110.6 | N552 T557 S563 F692 L696 I735 | N552-I559 WeakPolarHBondContact OD1-CA 3.36Å; T557-I559 PolarHBondContact OG1-N 3.4Å; T557-I559 PolarHBondContact OG1-O 3.49Å; I559-S563 WeakPolarHBondContact CG1-OG 3.49Å; I559-F692 HydrophobicContact CD1-CE1 3.52Å; I559-F692 HydrophobicContact CD1-CZ 3.78Å; I559-F692 HydrophobicContact CG1-CE1 4.38Å; I559-L696 HydrophobicContact CG2-CD2 4.27Å; I559-I735 HydrophobicContact CG2-CB 4.36Å; I559-I735 HydrophobicContact CG2-CD1 3.51Å; I559-I735 HydrophobicContact CG2-CG1 4.43Å | ||
| 560 | S | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | -94.5 | 146.3 | 170.7 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | T549 N552 G562 S563 | T549-S560 WeakPolarHBondContact CG2-OG 3.34Å; T549-S560 PolarHBondContact O-OG 3.38Å; N552-S560 VanDerWaalsContact CA-OG 3.25Å; N552-S560 WeakPolarHBondContact CA-OG 3.23Å; N552-S560 PolarHBondContact N-OG 2.86Å; N552-S560 PolarHBondContact OD1-N 2.9Å; N552-S560 PolarHBondContact OD1-OG 3.41Å; S560-G562 PolarHBondContact O-N 2.93Å; S560-S563 WeakPolarHBondContact O-CB 3.35Å; S560-S563 PolarHBondContact O-N 3.37Å; S560-S563 PolarHBondContact O-OG 2.96Å | ||
| 561 | I | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | B | Isolated β-bridge | trans | -61.5 | 135.6 | 172.4 | -66.6 | 155.3 | 0 | 0 | 0 | 109.2 | C434 L546 P547 C548 T549 L696 A697 M700 | C434-I561 WeakPolarHBondContact O-CG2 3.4Å; L546-I561 HydrophobicContact CD1-CD1 3.76Å; L546-I561 HydrophobicContact CD2-CD1 3.59Å; L546-I561 HydrophobicContact CG-CD1 3.66Å; P547-I561 PolarHBondContact O-N 2.99Å; C548-I561 CarbonylContact C-O 3.54Å; C548-I561 VanDerWaalsContact CA-O 3.27Å; C548-I561 WeakPolarHBondContact CA-O 3.5Å; C548-I561 HydrophobicContact CB-CB 4.11Å; C548-I561 HydrophobicContact CB-CG2 4.46Å; C548-I561 PolarHBondContact SG-O 2.72Å; T549-I561 PolarHBondContact N-O 3.36Å; I561-L696 HydrophobicContact CG1-CB 4.43Å; I561-L696 HydrophobicContact CG1-CD2 3.77Å; I561-L696 HydrophobicContact CG1-CG 3.83Å; I561-A697 HydrophobicContact CD1-CB 3.99Å; I561-A697 HydrophobicContact CG1-CB 4.33Å; I561-A697 HydrophobicContact CG2-CB 3.9Å; I561-M700 HydrophobicContact CD1-SD 4.31Å |
| 562 | G | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | -16.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | C434 S560 A566 D693 | C434-G562 WeakPolarHBondContact O-CA 3.15Å; C434-G562 PolarHBondContact O-N 3.06Å; S560-G562 PolarHBondContact O-N 2.93Å; G562-A566 PolarHBondContact O-N 3.26Å; G562-A566 VanDerWaalsContact O-N 3.1Å; G562-D693 WeakPolarHBondContact CA-OD2 3.47Å; G562-D693 PolarHBondContact N-OD1 3.18Å; G562-D693 PolarHBondContact N-OD2 3.42Å |
| 563 | S | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -72 | -32.4 | -179.4 | 68.7 | 0 | 0 | 0 | 0 | 112.6 | I559 S560 A566 L567 | I559-S563 WeakPolarHBondContact CG1-OG 3.49Å; S560-S563 WeakPolarHBondContact O-CB 3.35Å; S560-S563 PolarHBondContact O-N 3.37Å; S560-S563 PolarHBondContact O-OG 2.96Å; S563-A566 PolarHBondContact O-N 2.86Å; S563-L567 WeakPolarHBondContact O-CG 3.39Å; S563-L567 PolarHBondContact O-N 3.13Å |
| 564 | D | 97.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 15.8 Ų | 15.8 | 4% | 0.043 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -70.6 | -43 | 175.4 | 177 | 71.9 | 0 | 0 | 0 | 111.7 | A566 L567 N568 T690 F692 | D564-A566 VanDerWaalsContact C-N 3.28Å; D564-A566 PolarHBondContact O-N 3.28Å; D564-L567 PolarHBondContact O-N 3.39Å; D564-N568 PolarHBondContact O-N 3.37Å; D564-N568 PolarHBondContact O-ND2 2.84Å; D564-N568 PolarHBondContact OD1-ND2 3.32Å; D564-N568 PolarHBondContact OD2-ND2 3.05Å; D564-T690 WeakPolarHBondContact OD2-CB 3.47Å; D564-T690 WeakPolarHBondContact OD2-CG2 3.23Å; D564-T690 PolarHBondContact OD2-OG1 2.75Å; D564-F692 HydrophobicContact CB-CB 4.43Å; D564-F692 HydrophobicContact CB-CD1 3.71Å; D564-F692 HydrophobicContact CB-CE1 4.42Å; D564-F692 HydrophobicContact CB-CG 4.35Å |
| 565 | S | 98.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55.4 | -44.8 | 171.9 | -61.1 | 0 | 0 | 0 | 0 | 112 | C434 N568 E569 T690 D693 | C434-S565 VanDerWaalsContact CB-CB 3.48Å; C434-S565 VanDerWaalsContact CB-OG 3.25Å; C434-S565 WeakPolarHBondContact CB-OG 3.32Å; S565-N568 PolarHBondContact O-N 3.34Å; S565-E569 PolarHBondContact O-N 3.22Å; S565-T690 PolarHBondContact OG-N 2.93Å; S565-T690 VanDerWaalsContact OG-N 3.12Å; S565-T690 PolarHBondContact OG-OG1 3.34Å; S565-D693 WeakPolarHBondContact CB-OD2 3.37Å; S565-D693 PolarHBondContact N-OD2 2.99Å; S565-D693 PolarHBondContact OG-OD2 3Å |
| 566 | A | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.8 | -45.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I550 G562 S563 D564 N568 E569 I570 L601 Q684 | I550-A566 HydrophobicContact CB-CB 3.66Å; I550-A566 HydrophobicContact CG2-CB 3.8Å; G562-A566 PolarHBondContact O-N 3.26Å; G562-A566 VanDerWaalsContact O-N 3.1Å; S563-A566 PolarHBondContact O-N 2.86Å; D564-A566 VanDerWaalsContact C-N 3.28Å; D564-A566 PolarHBondContact O-N 3.28Å; A566-N568 VanDerWaalsContact C-N 3.31Å; A566-N568 PolarHBondContact O-N 3.14Å; A566-E569 PolarHBondContact O-N 2.91Å; A566-I570 WeakPolarHBondContact O-CD1 3.46Å; A566-I570 WeakPolarHBondContact O-CG1 3.38Å; A566-I570 PolarHBondContact O-N 3.46Å; A566-L601 HydrophobicContact CB-CD1 4.49Å; A566-L601 HydrophobicContact CB-CD2 3.98Å; A566-Q684 WeakPolarHBondContact CA-O 3.44Å; A566-Q684 WeakPolarHBondContact CB-O 3.37Å |
| 567 | L | 98.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 177.5 | -74.8 | 172.3 | 0 | 0 | 0 | 112.3 | A323 S563 D564 I570 C571 Y600 L601 L604 | A323-L567 HydrophobicContact CB-CB 3.87Å; S563-L567 WeakPolarHBondContact O-CG 3.39Å; S563-L567 PolarHBondContact O-N 3.13Å; D564-L567 PolarHBondContact O-N 3.39Å; L567-I570 PolarHBondContact O-N 3.1Å; L567-C571 WeakPolarHBondContact O-CB 3.36Å; L567-C571 PolarHBondContact O-N 3.19Å; L567-C571 PolarHBondContact O-SG 3.01Å; L567-C571 VanDerWaalsContact O-SG 3.41Å; L567-Y600 HydrophobicContact CD1-CE1 3.96Å; L567-Y600 HydrophobicContact CG-CE1 4.41Å; L567-L601 HydrophobicContact CD2-CD2 3.81Å; L567-L601 HydrophobicContact CG-CD2 3.93Å; L567-L604 HydrophobicContact CD1-CB 4.16Å; L567-L604 HydrophobicContact CD1-CD1 3.87Å; L567-L604 HydrophobicContact CD2-CB 3.7Å |
| 568 | N | 98.3 | Very high | 96 | Very high | 24 Ų | 24 | 21.6 Ų | 21.6 | 13% | 0.128 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.4 | -44.7 | 177.1 | -83.4 | -78.6 | 0 | 0 | 0 | 112 | S322 A323 D564 S565 A566 C571 R572 T690 | S322-N568 WeakPolarHBondContact CA-OD1 3.47Å; S322-N568 WeakPolarHBondContact CB-OD1 3.34Å; A323-N568 PolarHBondContact N-OD1 3.47Å; D564-N568 PolarHBondContact O-N 3.37Å; D564-N568 PolarHBondContact O-ND2 2.84Å; D564-N568 PolarHBondContact OD1-ND2 3.32Å; D564-N568 PolarHBondContact OD2-ND2 3.05Å; S565-N568 PolarHBondContact O-N 3.34Å; A566-N568 VanDerWaalsContact C-N 3.31Å; A566-N568 PolarHBondContact O-N 3.14Å; N568-C571 PolarHBondContact O-N 3.48Å; N568-R572 WeakPolarHBondContact O-CB 3.37Å; N568-R572 PolarHBondContact O-N 2.8Å; N568-T690 HydrophobicContact CB-CG2 4.19Å |
| 569 | E | 97.6 | Very high | 95.7 | Very high | 40 Ų | 40 | 26.7 Ų | 26.7 | 19% | 0.187 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.1 | -79.2 | -56 | 148.7 | 0 | 0 | 112.4 | S565 A566 C571 R572 L573 | S565-E569 PolarHBondContact O-N 3.22Å; A566-E569 PolarHBondContact O-N 2.91Å; E569-C571 VanDerWaalsContact C-N 3.34Å; E569-C571 PolarHBondContact O-N 2.65Å; E569-R572 PolarHBondContact O-N 2.96Å; E569-R572 IonicContact OE1-NE 3.1Å; E569-R572 IonicContact OE1-NH2 2.67Å; E569-R572 IonicContact OE2-CZ 3.96Å; E569-R572 VanDerWaalsContact OE2-CZ 3.27Å; E569-R572 IonicContact OE2-NE 2.75Å; E569-R572 PolarHBondContact OE2-NE 3.08Å; E569-R572 IonicContact OE2-NH2 3.98Å; E569-R572 PolarHBondContact OE2-NH2 3.07Å; E569-L573 VanDerWaalsContact O-CG 3.29Å; E569-L573 WeakPolarHBondContact O-CG 3.3Å; E569-L573 PolarHBondContact O-N 3.46Å |
| 570 | I | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.4 | -47.9 | 176.2 | -65.8 | 162.5 | 0 | 0 | 0 | 110 | A566 L567 R572 L573 I574 T593 L601 M647 L680 Q684 | A566-I570 WeakPolarHBondContact O-CD1 3.46Å; A566-I570 WeakPolarHBondContact O-CG1 3.38Å; A566-I570 PolarHBondContact O-N 3.46Å; L567-I570 PolarHBondContact O-N 3.1Å; I570-R572 VanDerWaalsContact C-N 3.34Å; I570-R572 PolarHBondContact O-N 2.98Å; I570-L573 PolarHBondContact O-N 3.4Å; I570-I574 HydrophobicContact CG2-CD1 3.66Å; I570-I574 HydrophobicContact CG2-CG1 4.27Å; I570-I574 VanDerWaalsContact O-CG1 3.27Å; I570-I574 WeakPolarHBondContact O-CG1 3.46Å; I570-I574 PolarHBondContact O-N 3.39Å; I570-T593 HydrophobicContact CD1-CG2 4.19Å; I570-T593 HydrophobicContact CG2-CG2 4.24Å; I570-L601 HydrophobicContact CD1-CB 4.03Å; I570-L601 HydrophobicContact CD1-CD1 4.24Å; I570-L601 HydrophobicContact CD1-CD2 4.05Å; I570-L601 HydrophobicContact CD1-CG 4.34Å; I570-M647 HydrophobicContact CG2-CE 4.12Å; I570-L680 HydrophobicContact CB-CD1 4.22Å; I570-L680 HydrophobicContact CG1-CD1 3.95Å; I570-L680 HydrophobicContact CG2-CD1 3.82Å; I570-Q684 HydrophobicContact CD1-CG 4.24Å; I570-Q684 HydrophobicContact CG1-CB 4.45Å; I570-Q684 HydrophobicContact CG1-CG 3.74Å |
| 571 | C | 97.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 177.7 | -79.7 | 0 | 0 | 0 | 0 | 112.1 | L567 N568 E569 L573 I574 D575 A608 | L567-C571 WeakPolarHBondContact O-CB 3.36Å; L567-C571 PolarHBondContact O-N 3.19Å; L567-C571 PolarHBondContact O-SG 3.01Å; L567-C571 VanDerWaalsContact O-SG 3.41Å; N568-C571 PolarHBondContact O-N 3.48Å; E569-C571 VanDerWaalsContact C-N 3.34Å; E569-C571 PolarHBondContact O-N 2.65Å; C571-L573 PolarHBondContact O-N 2.9Å; C571-I574 PolarHBondContact O-N 2.71Å; C571-D575 PolarHBondContact O-N 2.69Å; C571-A608 VanDerWaalsContact SG-CB 3.56Å |
| 572 | R | 96.5 | Very high | 93.5 | Very high | 126 Ų | 126 | 34.9 Ų | 34.9 | 48% | 0.475 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 176.3 | -170.3 | -179.7 | 75.6 | 123.5 | -3.9 | 112 | N568 E569 I570 D575 K576 | N568-R572 WeakPolarHBondContact O-CB 3.37Å; N568-R572 PolarHBondContact O-N 2.8Å; E569-R572 PolarHBondContact O-N 2.96Å; E569-R572 IonicContact OE1-NE 3.1Å; E569-R572 IonicContact OE1-NH2 2.67Å; E569-R572 IonicContact OE2-CZ 3.96Å; E569-R572 VanDerWaalsContact OE2-CZ 3.27Å; E569-R572 IonicContact OE2-NE 2.75Å; E569-R572 PolarHBondContact OE2-NE 3.08Å; E569-R572 IonicContact OE2-NH2 3.98Å; E569-R572 PolarHBondContact OE2-NH2 3.07Å; I570-R572 VanDerWaalsContact C-N 3.34Å; I570-R572 PolarHBondContact O-N 2.98Å; R572-D575 PolarHBondContact O-N 3.33Å; R572-K576 WeakPolarHBondContact O-CG 3.5Å; R572-K576 PolarHBondContact O-N 2.71Å |
| 573 | L | 96.3 | Very high | 92.4 | Very high | 35 Ų | 35 | 38.4 Ų | 38.4 | 18% | 0.183 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.1 | -42.7 | 177.4 | -68.1 | 167.4 | 0 | 0 | 0 | 111.4 | E569 I570 C571 D575 K576 I577 L680 S683 | E569-L573 VanDerWaalsContact O-CG 3.29Å; E569-L573 WeakPolarHBondContact O-CG 3.3Å; E569-L573 PolarHBondContact O-N 3.46Å; I570-L573 PolarHBondContact O-N 3.4Å; C571-L573 PolarHBondContact O-N 2.9Å; L573-D575 VanDerWaalsContact C-N 3.31Å; L573-D575 PolarHBondContact O-N 2.97Å; L573-K576 WeakPolarHBondContact O-CB 3.38Å; L573-K576 PolarHBondContact O-N 2.65Å; L573-I577 WeakPolarHBondContact O-CG1 3.43Å; L573-I577 PolarHBondContact O-N 3.06Å; L573-L680 HydrophobicContact CB-CD2 4.02Å; L573-L680 HydrophobicContact CD1-CB 4.33Å; L573-L680 HydrophobicContact CD1-CD1 4.32Å; L573-L680 HydrophobicContact CD1-CD2 3.99Å; L573-L680 HydrophobicContact CD1-CG 4.44Å; L573-S683 VanDerWaalsContact CD1-OG 3.28Å; L573-S683 WeakPolarHBondContact CD1-OG 3.47Å |
| 574 | I | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 175 | -68.2 | 168 | 0 | 0 | 0 | 110.9 | I570 C571 K576 I577 K578 V591 S609 I645 M647 | I570-I574 HydrophobicContact CG2-CD1 3.66Å; I570-I574 HydrophobicContact CG2-CG1 4.27Å; I570-I574 VanDerWaalsContact O-CG1 3.27Å; I570-I574 WeakPolarHBondContact O-CG1 3.46Å; I570-I574 PolarHBondContact O-N 3.39Å; C571-I574 PolarHBondContact O-N 2.71Å; I574-K576 VanDerWaalsContact C-N 3.29Å; I574-K576 PolarHBondContact O-N 2.92Å; I574-I577 CarbonylContact O-C 3.55Å; I574-I577 WeakPolarHBondContact O-CA 3.4Å; I574-I577 WeakPolarHBondContact O-CB 3.45Å; I574-I577 PolarHBondContact O-N 3.34Å; I574-I577 VanDerWaalsContact O-N 3.09Å; I574-K578 HydrophobicContact CG2-CD 4.49Å; I574-K578 HydrophobicContact CG2-CG 4.29Å; I574-K578 WeakPolarHBondContact O-CG 3.15Å; I574-K578 PolarHBondContact O-N 3.01Å; I574-V591 HydrophobicContact CG1-CG1 4.45Å; I574-S609 WeakPolarHBondContact CD1-OG 3.38Å; I574-I645 HydrophobicContact CG2-CD1 3.91Å; I574-M647 HydrophobicContact CD1-CE 3.63Å; I574-M647 HydrophobicContact CD1-SD 3.52Å; I574-M647 VanDerWaalsContact CD1-SD 3.52Å; I574-M647 HydrophobicContact CG1-CE 4.38Å; I574-M647 HydrophobicContact CG1-SD 4.28Å |
| 575 | D | 94.7 | Very high | 90.4 | Very high | 17 Ų | 17 | 48.3 Ų | 48.3 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -36.2 | 178.8 | -68.6 | -24.3 | 0 | 0 | 0 | 112 | Q94 R326 C571 R572 L573 K578 Q579 | Q94-D575 WeakPolarHBondContact CB-OD1 3.25Å; Q94-D575 WeakPolarHBondContact CB-OD2 3.3Å; R326-D575 IonicContact CZ-OD2 3.82Å; R326-D575 IonicContact NH1-OD1 2.68Å; R326-D575 PolarHBondContact NH1-OD1 3.35Å; R326-D575 IonicContact NH1-OD2 3.33Å; R326-D575 PolarHBondContact NH1-OD2 3.06Å; R326-D575 IonicContact NH2-OD2 2.74Å; R326-D575 PolarHBondContact NH2-OD2 2.91Å; C571-D575 PolarHBondContact O-N 2.69Å; R572-D575 PolarHBondContact O-N 3.33Å; L573-D575 VanDerWaalsContact C-N 3.31Å; L573-D575 PolarHBondContact O-N 2.97Å; D575-K578 PolarHBondContact O-N 3.33Å; D575-K578 IonicContact OD1-NZ 2.87Å; D575-K578 PolarHBondContact OD1-NZ 3.01Å; D575-Q579 PolarHBondContact O-N 2.94Å |
| 576 | K | 93.1 | Very high | 90 | Very high | 110 Ų | 110 | 53.7 Ų | 53.7 | 48% | 0.478 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 171.1 | -67.7 | 176.9 | -178.7 | -179.9 | 0 | 112.2 | R572 L573 I574 Q579 S580 | R572-K576 WeakPolarHBondContact O-CG 3.5Å; R572-K576 PolarHBondContact O-N 2.71Å; L573-K576 WeakPolarHBondContact O-CB 3.38Å; L573-K576 PolarHBondContact O-N 2.65Å; I574-K576 VanDerWaalsContact C-N 3.29Å; I574-K576 PolarHBondContact O-N 2.92Å; K576-Q579 PolarHBondContact O-N 2.95Å; K576-S580 PolarHBondContact O-N 2.93Å |
| 577 | I | 91.6 | Very high | 89.6 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 7% | 0.072 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 175.2 | -66.8 | 166 | 0 | 0 | 0 | 110.4 | L573 I574 Q579 S580 A581 F589 V591 N678 L680 | L573-I577 WeakPolarHBondContact O-CG1 3.43Å; L573-I577 PolarHBondContact O-N 3.06Å; I574-I577 CarbonylContact O-C 3.55Å; I574-I577 WeakPolarHBondContact O-CA 3.4Å; I574-I577 WeakPolarHBondContact O-CB 3.45Å; I574-I577 PolarHBondContact O-N 3.34Å; I574-I577 VanDerWaalsContact O-N 3.09Å; I577-Q579 VanDerWaalsContact C-N 3.32Å; I577-Q579 PolarHBondContact O-N 2.84Å; I577-S580 WeakPolarHBondContact O-CB 3.21Å; I577-S580 PolarHBondContact O-N 3.5Å; I577-A581 PolarHBondContact O-N 2.88Å; I577-F589 HydrophobicContact CG2-CB 4.07Å; I577-F589 HydrophobicContact CG2-CD1 3.63Å; I577-F589 HydrophobicContact CG2-CD2 3.81Å; I577-F589 HydrophobicContact CG2-CE1 3.87Å; I577-F589 HydrophobicContact CG2-CE2 4.08Å; I577-F589 HydrophobicContact CG2-CG 3.55Å; I577-F589 HydrophobicContact CG2-CZ 4.07Å; I577-V591 HydrophobicContact CD1-CG1 4.49Å; I577-V591 HydrophobicContact CD1-CG2 3.99Å; I577-N678 HydrophobicContact CD1-CB 3.82Å; I577-L680 HydrophobicContact CD1-CD2 4.49Å |
| 578 | K | 89.3 | Confident | 89.5 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 174.6 | -69.6 | 177.1 | -172.3 | 156 | 0 | 111.4 | I574 D575 S580 A581 I582 S609 I645 | I574-K578 HydrophobicContact CG2-CD 4.49Å; I574-K578 HydrophobicContact CG2-CG 4.29Å; I574-K578 WeakPolarHBondContact O-CG 3.15Å; I574-K578 PolarHBondContact O-N 3.01Å; D575-K578 PolarHBondContact O-N 3.33Å; D575-K578 IonicContact OD1-NZ 2.87Å; D575-K578 PolarHBondContact OD1-NZ 3.01Å; K578-S580 VanDerWaalsContact C-N 3.32Å; K578-S580 PolarHBondContact O-N 3.37Å; K578-A581 VanDerWaalsContact O-CB 3.25Å; K578-A581 WeakPolarHBondContact O-CB 3.32Å; K578-A581 PolarHBondContact O-N 3.02Å; K578-I582 PolarHBondContact O-N 3.33Å; K578-S609 WeakPolarHBondContact CE-O 3.21Å; K578-S609 PolarHBondContact NZ-O 3.41Å; K578-I645 HydrophobicContact CG-CD1 3.62Å |
| 579 | Q | 86.5 | Confident | 89.3 | Confident | 141 Ų | 141 | 55.3 Ų | 55.3 | 66% | 0.659 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.6 | -41.4 | 178.4 | -172.2 | 177.5 | 0.8 | 0 | 0 | 111.5 | D575 K576 I577 A581 I582 | D575-Q579 PolarHBondContact O-N 2.94Å; K576-Q579 PolarHBondContact O-N 2.95Å; I577-Q579 VanDerWaalsContact C-N 3.32Å; I577-Q579 PolarHBondContact O-N 2.84Å; Q579-A581 PolarHBondContact O-N 3.46Å; Q579-I582 PolarHBondContact O-N 3.39Å |
| 580 | S | 84.6 | Confident | 89.3 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 50% | 0.497 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -34 | 173.1 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | K576 I577 K578 I582 | K576-S580 PolarHBondContact O-N 2.93Å; I577-S580 WeakPolarHBondContact O-CB 3.21Å; I577-S580 PolarHBondContact O-N 3.5Å; K578-S580 VanDerWaalsContact C-N 3.32Å; K578-S580 PolarHBondContact O-N 3.37Å; S580-I582 VanDerWaalsContact C-N 3.32Å; S580-I582 PolarHBondContact O-N 3.26Å |
| 581 | A | 80.4 | Confident | 89.3 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 2% | 0.017 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.9 | -27.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I577 K578 Q579 G583 T584 F589 R643 | I577-A581 PolarHBondContact O-N 2.88Å; K578-A581 VanDerWaalsContact O-CB 3.25Å; K578-A581 WeakPolarHBondContact O-CB 3.32Å; K578-A581 PolarHBondContact O-N 3.02Å; Q579-A581 PolarHBondContact O-N 3.46Å; A581-G583 PolarHBondContact O-N 2.9Å; A581-T584 CarbonylContact O-C 3.51Å; A581-T584 PolarHBondContact O-N 2.96Å; A581-F589 HydrophobicContact CB-CE2 3.67Å; A581-F589 HydrophobicContact CB-CZ 4.43Å; A581-R643 HydrophobicContact CB-CB 3.89Å |
| 582 | I | 76.6 | Confident | 89.4 | Confident | 132 Ų | 132 | 54.9 Ų | 54.9 | 68% | 0.677 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.5 | -36.3 | -176.5 | -63.1 | 172.7 | 0 | 0 | 0 | 111.5 | K578 Q579 S580 | K578-I582 PolarHBondContact O-N 3.33Å; Q579-I582 PolarHBondContact O-N 3.39Å; S580-I582 VanDerWaalsContact C-N 3.32Å; S580-I582 PolarHBondContact O-N 3.26Å |
| 583 | G | 74.1 | Confident | 89.5 | Confident | 74 Ų | 74 | 48.9 Ų | 48.9 | 76% | 0.763 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -12.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A581 | A581-G583 PolarHBondContact O-N 2.9Š|
| 584 | T | 75.2 | Confident | 89.5 | Confident | 40 Ų | 40 | 48.7 Ų | 48.7 | 25% | 0.245 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -123.7 | 104.1 | -174.1 | 50.7 | 0 | 0 | 0 | 0 | 110.6 | A581 R587 | A581-T584 CarbonylContact O-C 3.51Å; A581-T584 PolarHBondContact O-N 2.96Å; T584-R587 VanDerWaalsContact CB-CZ 3.44Å; T584-R587 VanDerWaalsContact OG1-CZ 3.25Å; T584-R587 PolarHBondContact OG1-NH1 3.45Å; T584-R587 VanDerWaalsContact OG1-NH1 3.13Å |
| 585 | K | 78.7 | Confident | 89.5 | Confident | 175 Ų | 175 | 48.8 Ų | 48.8 | 76% | 0.761 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -63.6 | 139.7 | -177.4 | -63.9 | -172.4 | 178.7 | 178.5 | 0 | 111.1 | ||
| 586 | R | 88.2 | Confident | 89.6 | Confident | 116 Ų | 116 | 48.8 Ų | 48.8 | 44% | 0.438 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 56.5 | 68.8 | 173.3 | -55.9 | -177.9 | -176.9 | 168.1 | 0.2 | 114.3 | M637 Q642 N672 F673 S674 | R586-M637 HydrophobicContact CB-SD 3.97Å; R586-M637 HydrophobicContact CG-CB 4.48Å; R586-M637 HydrophobicContact CG-SD 4.12Å; R586-Q642 WeakPolarHBondContact CA-O 3.16Å; R586-Q642 PolarHBondContact N-O 3.5Å; R586-N672 VanDerWaalsContact CD-O 3.28Å; R586-N672 WeakPolarHBondContact CD-O 3.4Å; R586-F673 HydrophobicContact CB-CB 4.28Å; R586-F673 WeakPolarHBondContact O-CA 3.28Å; R586-F673 WeakPolarHBondContact O-CB 3.16Å; R586-S674 PolarHBondContact O-N 2.99Å |
| 587 | R | 91.9 | Very high | 89.8 | Confident | 52 Ų | 52 | 46.5 Ų | 46.5 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.5 | -179.9 | -169 | 166 | -73.3 | 175.3 | 2.5 | 113.7 | T584 F589 Q642 R643 Y644 S674 | T584-R587 VanDerWaalsContact CB-CZ 3.44Å; T584-R587 VanDerWaalsContact OG1-CZ 3.25Å; T584-R587 PolarHBondContact OG1-NH1 3.45Å; T584-R587 VanDerWaalsContact OG1-NH1 3.13Å; R587-F589 HydrophobicContact CB-CE2 4.14Å; R587-F589 HydrophobicContact CG-CD2 4.18Å; R587-F589 HydrophobicContact CG-CE1 4.46Å; R587-F589 HydrophobicContact CG-CE2 3.65Å; R587-F589 HydrophobicContact CG-CZ 3.85Å; R587-Q642 PolarHBondContact N-O 3.06Å; R587-R643 CarbonylContact O-C 3.48Å; R587-R643 VanDerWaalsContact O-CA 3.25Å; R587-R643 WeakPolarHBondContact O-CA 3.49Å; R587-Y644 PolarHBondContact O-N 3.28Å; R587-S674 CarbonylContact C-O 3.6Å; R587-S674 WeakPolarHBondContact CA-O 3.39Å; R587-S674 PolarHBondContact NE-OG 3.33Å |
| 588 | V | 94.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.1 | 172.2 | -176.3 | 0 | 0 | 0 | 0 | 109 | I633 M637 Y644 I646 F665 F673 S674 T675 R676 | V588-I633 HydrophobicContact CG1-CD1 4.34Å; V588-I633 HydrophobicContact CG2-CD1 4.29Å; V588-I633 HydrophobicContact CG2-CG2 3.59Å; V588-M637 HydrophobicContact CG2-CE 4.43Å; V588-Y644 CarbonylContact C-O 3.6Å; V588-Y644 VanDerWaalsContact CA-O 3.31Å; V588-Y644 WeakPolarHBondContact CA-O 3.29Å; V588-Y644 HydrophobicContact CG1-CD1 4.44Å; V588-I646 HydrophobicContact CG1-CD1 4.24Å; V588-F665 HydrophobicContact CG1-CD2 4.35Å; V588-F673 HydrophobicContact CB-CD2 4.23Å; V588-F673 HydrophobicContact CB-CE2 4.43Å; V588-F673 HydrophobicContact CG2-CB 4.29Å; V588-F673 HydrophobicContact CG2-CD1 4.45Å; V588-F673 HydrophobicContact CG2-CD2 3.3Å; V588-F673 HydrophobicContact CG2-CE2 3.58Å; V588-F673 HydrophobicContact CG2-CG 3.78Å; V588-F673 HydrophobicContact CG2-CZ 4.25Å; V588-S674 PolarHBondContact N-O 3.24Å; V588-T675 HydrophobicContact CB-CG2 4.23Å; V588-T675 HydrophobicContact CG1-CG2 4.27Å; V588-T675 CarbonylContact O-C 3.52Å; V588-T675 WeakPolarHBondContact O-CA 3.25Å; V588-R676 PolarHBondContact O-N 3.41Å |
| 589 | F | 95.6 | Very high | 90.4 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125.6 | 173 | -69.5 | -83.5 | 0 | 0 | 0 | 110.3 | I577 A581 R587 V591 Y644 I645 I646 R676 N678 | I577-F589 HydrophobicContact CG2-CB 4.07Å; I577-F589 HydrophobicContact CG2-CD1 3.63Å; I577-F589 HydrophobicContact CG2-CD2 3.81Å; I577-F589 HydrophobicContact CG2-CE1 3.87Å; I577-F589 HydrophobicContact CG2-CE2 4.08Å; I577-F589 HydrophobicContact CG2-CG 3.55Å; I577-F589 HydrophobicContact CG2-CZ 4.07Å; A581-F589 HydrophobicContact CB-CE2 3.67Å; A581-F589 HydrophobicContact CB-CZ 4.43Å; R587-F589 HydrophobicContact CB-CE2 4.14Å; R587-F589 HydrophobicContact CG-CD2 4.18Å; R587-F589 HydrophobicContact CG-CE1 4.46Å; R587-F589 HydrophobicContact CG-CE2 3.65Å; R587-F589 HydrophobicContact CG-CZ 3.85Å; F589-V591 HydrophobicContact CB-CG2 4.36Å; F589-Y644 PolarHBondContact N-O 2.98Å; F589-I645 HydrophobicContact CB-CG1 4.4Å; F589-I645 WeakPolarHBondContact O-CA 3.37Å; F589-I646 PolarHBondContact O-N 2.91Å; F589-R676 CarbonylContact C-O 3.56Å; F589-R676 WeakPolarHBondContact CA-O 3.35Å; F589-R676 HydrophobicContact CD1-CB 3.83Å; F589-R676 HydrophobicContact CE1-CB 3.89Å; F589-R676 HydrophobicContact CE1-CG 4.46Å; F589-N678 WeakPolarHBondContact CD1-ND2 3.35Å |
| 590 | I | 97.3 | Very high | 91 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 114.3 | 168.4 | -55.8 | 163.2 | 0 | 0 | 0 | 106.7 | I646 R648 T658 I661 M662 T675 R676 I677 N678 | I590-I646 CarbonylContact C-O 3.54Å; I590-I646 WeakPolarHBondContact CA-O 3.22Å; I590-R648 HydrophobicContact CG2-CB 4.35Å; I590-T658 HydrophobicContact CG2-CG2 3.97Å; I590-I661 HydrophobicContact CD1-CB 3.91Å; I590-I661 HydrophobicContact CD1-CG2 3.5Å; I590-I661 HydrophobicContact CG1-CG2 4.37Å; I590-M662 HydrophobicContact CD1-CB 4.14Å; I590-T675 HydrophobicContact CD1-CG2 3.72Å; I590-T675 HydrophobicContact CG1-CG2 4.14Å; I590-R676 PolarHBondContact N-O 3.33Å; I590-I677 HydrophobicContact CB-CG2 4.27Å; I590-I677 HydrophobicContact CD1-CG2 4.45Å; I590-I677 CarbonylContact O-C 3.6Å; I590-I677 VanDerWaalsContact O-CA 3.31Å; I590-I677 WeakPolarHBondContact O-CA 3.22Å; I590-N678 PolarHBondContact O-N 2.91Å |
| 591 | V | 98 | Very high | 91.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 112.6 | -175.8 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | I574 I577 F589 I645 I646 M647 R648 N678 L680 | I574-V591 HydrophobicContact CG1-CG1 4.45Å; I577-V591 HydrophobicContact CD1-CG1 4.49Å; I577-V591 HydrophobicContact CD1-CG2 3.99Å; F589-V591 HydrophobicContact CB-CG2 4.36Å; V591-I645 HydrophobicContact CG2-CG2 4.07Å; V591-I646 PolarHBondContact N-O 3.43Å; V591-M647 HydrophobicContact CB-CE 3.76Å; V591-M647 HydrophobicContact CB-SD 3.84Å; V591-M647 HydrophobicContact CG1-CE 3.64Å; V591-M647 HydrophobicContact CG1-SD 4.27Å; V591-M647 HydrophobicContact CG2-SD 4.4Å; V591-M647 CarbonylContact O-C 3.23Å; V591-M647 WeakPolarHBondContact O-CA 3.49Å; V591-R648 PolarHBondContact O-N 3.34Å; V591-N678 CarbonylContact C-O 3.57Å; V591-N678 WeakPolarHBondContact CA-O 3.29Å; V591-N678 HydrophobicContact CG2-CB 4.48Å; V591-L680 HydrophobicContact CG1-CD1 3.76Å; V591-L680 HydrophobicContact CG1-CD2 3.81Å; V591-L680 HydrophobicContact CG1-CG 3.73Å |
| 592 | E | 98.5 | Very high | 92.5 | Very high | 32 Ų | 32 | 36 Ų | 36 | 15% | 0.15 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 122.6 | 179.2 | -170.6 | -178.9 | 106.3 | 0 | 0 | 110.7 | R648 E650 T658 N678 I679 L680 | E592-R648 CarbonylContact C-O 3.48Å; E592-R648 VanDerWaalsContact CA-O 3.27Å; E592-R648 WeakPolarHBondContact CA-O 3.38Å; E592-R648 IonicContact OE2-CZ 3.38Å; E592-R648 IonicContact OE2-NH1 3.72Å; E592-R648 PolarHBondContact OE2-NH1 3Å; E592-E650 HydrophobicContact CG-CB 4.2Å; E592-T658 VanDerWaalsContact OE2-CB 3.3Å; E592-T658 WeakPolarHBondContact OE2-CB 3.34Å; E592-T658 PolarHBondContact OE2-OG1 2.91Å; E592-N678 PolarHBondContact N-O 3.28Å; E592-I679 HydrophobicContact CB-CG1 4.19Å; E592-I679 HydrophobicContact CB-CG2 4.47Å; E592-L680 PolarHBondContact O-N 3.41Å |
| 593 | T | 98.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 152.8 | 172.6 | 66.3 | 0 | 0 | 0 | 0 | 110.6 | I570 M647 R648 E650 Q684 | I570-T593 HydrophobicContact CD1-CG2 4.19Å; I570-T593 HydrophobicContact CG2-CG2 4.24Å; T593-M647 HydrophobicContact CG2-CE 3.41Å; T593-M647 VanDerWaalsContact CG2-CE 3.41Å; T593-R648 PolarHBondContact N-O 2.91Å; T593-E650 WeakPolarHBondContact O-CB 3.31Å; T593-E650 PolarHBondContact O-N 3.34Å; T593-Q684 VanDerWaalsContact CA-OE1 3.25Å |
| 594 | M | 97.8 | Very high | 94.6 | Very high | 31 Ų | 31 | 26.4 Ų | 26.4 | 15% | 0.153 | 12% | 0.12 | C | C | . | . | trans | -69.3 | 176.5 | 164.7 | -74.3 | 173.1 | 87.8 | 0 | 0 | 109.9 | I550 Q684 | I550-M594 HydrophobicContact CD1-CB 4.07Å; I550-M594 HydrophobicContact CD1-CE 4.38Å; I550-M594 HydrophobicContact CD1-SD 4.02Å; M594-Q684 VanDerWaalsContact CG-NE2 3.3Å; M594-Q684 VanDerWaalsContact N-NE2 3.1Å | ||
| 595 | G | 96 | Very high | 95.6 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | trans | 147.7 | -3.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y597 C598 E650 | G595-Y597 PolarHBondContact O-N 3.31Å; G595-C598 VanDerWaalsContact O-CB 3.24Å; G595-C598 WeakPolarHBondContact O-CB 3.36Å; G595-C598 PolarHBondContact O-N 3.07Å; G595-E650 PolarHBondContact N-OE1 2.96Å; G595-E650 VanDerWaalsContact N-OE1 3.11Å | ||
| 596 | G | 96 | Very high | 96.5 | Very high | 18 Ų | 18 | 16.1 Ų | 16.1 | 19% | 0.186 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | -127.2 | -164.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | C598 C649 E650 R651 | G596-C598 VanDerWaalsContact C-N 3.31Å; G596-C649 PolarHBondContact O-SG 3.16Å; G596-E650 WeakPolarHBondContact CA-OE1 3.35Å; G596-E650 PolarHBondContact N-OE1 3.12Å; G596-R651 VanDerWaalsContact O-CB 3.23Å; G596-R651 WeakPolarHBondContact O-CB 3.43Å; G596-R651 PolarHBondContact O-N 2.94Å |
| 597 | Y | 96.6 | Very high | 96.9 | Very high | 62 Ų | 62 | 10.8 Ų | 10.8 | 24% | 0.243 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 2.6 | 173.8 | -66 | -82.1 | 0 | 0 | 0 | 113.4 | G595 F617 R651 R756 | G595-Y597 PolarHBondContact O-N 3.31Å; Y597-F617 HydrophobicContact CD1-CB 4.39Å; Y597-F617 HydrophobicContact CD1-CD1 4.18Å; Y597-F617 AromaticContact CD1-CD2 3.59Å; Y597-F617 HydrophobicContact CD1-CD2 3.59Å; Y597-F617 HydrophobicContact CD1-CE1 4.42Å; Y597-F617 AromaticContact CD1-CE2 3.86Å; Y597-F617 HydrophobicContact CD1-CE2 3.86Å; Y597-F617 AromaticContact CD1-CG 3.77Å; Y597-F617 HydrophobicContact CD1-CG 3.77Å; Y597-F617 HydrophobicContact CD1-CZ 4.29Å; Y597-F617 HydrophobicContact CE1-CD2 4.2Å; Y597-F617 HydrophobicContact CE1-CE2 4.21Å; Y597-F617 HydrophobicContact CG-CG 4.45Å; Y597-F617 WeakPolarHBondContact O-CB 3.08Å; Y597-R651 HydrophobicContact CD1-CB 3.55Å; Y597-R651 HydrophobicContact CD1-CG 4.38Å; Y597-R651 HydrophobicContact CD2-CB 4.46Å; Y597-R651 HydrophobicContact CE1-CB 3.65Å; Y597-R651 HydrophobicContact CE1-CG 4.24Å; Y597-R651 HydrophobicContact CE2-CG 4.39Å; Y597-R651 HydrophobicContact CG-CB 3.99Å; Y597-R756 HydrophobicContact CD2-CB 3.83Å; Y597-R756 HydrophobicContact CD2-CG 4.33Å; Y597-R756 WeakPolarHBondContact CD2-O 3.15Å; Y597-R756 HydrophobicContact CE2-CB 4.4Å; Y597-R756 HydrophobicContact CG-CB 4.11Å |
| 598 | C | 97.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 8.3 Ų | 8.3 | 2% | 0.02 | 4% | 0.042 | C | C | . | . | trans | -92.2 | 115.1 | -178.3 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | S551 N553 G595 G596 Y600 E618 C649 L758 | S551-C598 PolarHBondContact O-SG 3.01Å; N553-C598 HydrophobicContact CB-CB 3.83Å; G595-C598 VanDerWaalsContact O-CB 3.24Å; G595-C598 WeakPolarHBondContact O-CB 3.36Å; G595-C598 PolarHBondContact O-N 3.07Å; G596-C598 VanDerWaalsContact C-N 3.31Å; C598-Y600 PolarHBondContact O-N 3.19Å; C598-Y600 VanDerWaalsContact SG-CB 3.55Å; C598-E618 WeakPolarHBondContact CA-OE1 3.45Å; C598-C649 PolarHBondContact O-SG 3.29Å; C598-C649 VanDerWaalsContact O-SG 3.36Å; C598-L758 HydrophobicContact CB-CD2 3.64Å | ||
| 599 | G | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 5.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | L601 A602 T603 E618 W764 | G599-L601 PolarHBondContact O-N 3.49Å; G599-A602 PolarHBondContact O-N 3.35Å; G599-T603 VanDerWaalsContact O-CB 3.29Å; G599-T603 WeakPolarHBondContact O-CB 3.49Å; G599-T603 PolarHBondContact O-N 2.81Å; G599-T603 PolarHBondContact O-OG1 2.9Å; G599-E618 WeakPolarHBondContact CA-OE2 3.21Å; G599-E618 PolarHBondContact N-OE1 3.48Å; G599-E618 PolarHBondContact N-OE2 2.97Å; G599-E618 VanDerWaalsContact N-OE2 3.14Å; G599-W764 VanDerWaalsContact CA-CH2 3.4Å |
| 600 | Y | 97.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 8.3 Ų | 8.3 | 3% | 0.027 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -53.8 | -54.9 | -177.2 | 173.3 | -95.6 | 0 | 0 | 0 | 112.3 | N552 L567 C598 T603 L604 W763 W764 | N552-Y600 HydrophobicContact CB-CD1 3.62Å; N552-Y600 HydrophobicContact CB-CD2 4.1Å; N552-Y600 HydrophobicContact CB-CE1 3.8Å; N552-Y600 HydrophobicContact CB-CE2 4.22Å; N552-Y600 HydrophobicContact CB-CG 3.79Å; N552-Y600 WeakPolarHBondContact ND2-CD2 3.37Å; N552-Y600 WeakPolarHBondContact ND2-CE2 3.48Å; L567-Y600 HydrophobicContact CD1-CE1 3.96Å; L567-Y600 HydrophobicContact CG-CE1 4.41Å; C598-Y600 PolarHBondContact O-N 3.19Å; C598-Y600 VanDerWaalsContact SG-CB 3.55Å; Y600-T603 PolarHBondContact O-N 2.69Å; Y600-L604 HydrophobicContact CD1-CD1 4.4Å; Y600-L604 HydrophobicContact CD2-CD1 3.72Å; Y600-L604 HydrophobicContact CD2-CG 4.43Å; Y600-L604 HydrophobicContact CE1-CD1 3.88Å; Y600-L604 HydrophobicContact CE2-CD1 3.13Å; Y600-L604 HydrophobicContact CE2-CG 4.25Å; Y600-L604 HydrophobicContact CG-CD1 4.33Å; Y600-L604 WeakPolarHBondContact O-CB 3.4Å; Y600-L604 PolarHBondContact O-N 3.45Å; Y600-L604 WeakPolarHBondContact OH-CD1 3.43Å; Y600-W763 AromaticContact CE2-CZ2 3.99Å; Y600-W763 HydrophobicContact CE2-CZ2 3.99Å; Y600-W764 HydrophobicContact CD2-CB 4.12Å; Y600-W764 AromaticContact CD2-CD1 3.54Å; Y600-W764 HydrophobicContact CD2-CD2 4.38Å; Y600-W764 AromaticContact CD2-CG 3.74Å; Y600-W764 HydrophobicContact CD2-CG 3.74Å |
| 601 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | -178.2 | -71.4 | 179.5 | 0 | 0 | 0 | 111.4 | I550 A566 L567 I570 G599 T603 S605 | I550-L601 HydrophobicContact CB-CD1 4.38Å; I550-L601 HydrophobicContact CD1-CD1 4.39Å; I550-L601 HydrophobicContact CG1-CD1 4.29Å; I550-L601 WeakPolarHBondContact O-CD1 3.46Å; I550-L601 WeakPolarHBondContact O-CD2 3.48Å; I550-L601 WeakPolarHBondContact O-CG 3.39Å; A566-L601 HydrophobicContact CB-CD1 4.49Å; A566-L601 HydrophobicContact CB-CD2 3.98Å; L567-L601 HydrophobicContact CD2-CD2 3.81Å; L567-L601 HydrophobicContact CG-CD2 3.93Å; I570-L601 HydrophobicContact CD1-CB 4.03Å; I570-L601 HydrophobicContact CD1-CD1 4.24Å; I570-L601 HydrophobicContact CD1-CD2 4.05Å; I570-L601 HydrophobicContact CD1-CG 4.34Å; G599-L601 PolarHBondContact O-N 3.49Å; L601-T603 VanDerWaalsContact C-N 3.33Å; L601-T603 PolarHBondContact O-N 2.89Å; L601-S605 WeakPolarHBondContact O-CB 3.49Å; L601-S605 PolarHBondContact O-N 3.14Å; L601-S605 PolarHBondContact O-OG 2.95Å |
| 602 | A | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G599 S605 A606 I616 M647 C649 | G599-A602 PolarHBondContact O-N 3.35Å; A602-S605 PolarHBondContact O-OG 2.95Å; A602-A606 WeakPolarHBondContact O-CB 3.45Å; A602-A606 PolarHBondContact O-N 3.16Å; A602-A606 VanDerWaalsContact O-N 3.07Å; A602-I616 HydrophobicContact CB-CG2 3.89Å; A602-M647 HydrophobicContact CB-CB 4.32Å; A602-C649 HydrophobicContact CB-CB 4.07Å |
| 603 | T | 97.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.006 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -73.4 | -50.1 | -176.2 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | G599 Y600 L601 A606 L607 W764 R768 | G599-T603 VanDerWaalsContact O-CB 3.29Å; G599-T603 WeakPolarHBondContact O-CB 3.49Å; G599-T603 PolarHBondContact O-N 2.81Å; G599-T603 PolarHBondContact O-OG1 2.9Å; Y600-T603 PolarHBondContact O-N 2.69Å; L601-T603 VanDerWaalsContact C-N 3.33Å; L601-T603 PolarHBondContact O-N 2.89Å; T603-A606 WeakPolarHBondContact O-CB 3.17Å; T603-A606 PolarHBondContact O-N 3.01Å; T603-L607 PolarHBondContact O-N 2.71Å; T603-L607 VanDerWaalsContact O-N 3.08Å; T603-W764 HydrophobicContact CG2-CE3 3.98Å; T603-W764 HydrophobicContact CG2-CZ3 4.25Å; T603-W764 VanDerWaalsContact OG1-CZ3 3.29Å; T603-W764 WeakPolarHBondContact OG1-CZ3 3.43Å; T603-R768 HydrophobicContact CG2-CG 4.12Å |
| 604 | L | 97.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 7.8 Ų | 7.8 | 2% | 0.021 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -70 | -39.8 | -178.4 | -76 | -177.6 | 0 | 0 | 0 | 111.9 | L327 L567 Y600 A606 L607 A608 L767 | L327-L604 HydrophobicContact CD1-CB 4.34Å; L327-L604 HydrophobicContact CD1-CD2 4.09Å; L327-L604 HydrophobicContact CD2-CD2 3.96Å; L567-L604 HydrophobicContact CD1-CB 4.16Å; L567-L604 HydrophobicContact CD1-CD1 3.87Å; L567-L604 HydrophobicContact CD2-CB 3.7Å; Y600-L604 HydrophobicContact CD1-CD1 4.4Å; Y600-L604 HydrophobicContact CD2-CD1 3.72Å; Y600-L604 HydrophobicContact CD2-CG 4.43Å; Y600-L604 HydrophobicContact CE1-CD1 3.88Å; Y600-L604 HydrophobicContact CE2-CD1 3.13Å; Y600-L604 HydrophobicContact CE2-CG 4.25Å; Y600-L604 HydrophobicContact CG-CD1 4.33Å; Y600-L604 WeakPolarHBondContact O-CB 3.4Å; Y600-L604 PolarHBondContact O-N 3.45Å; Y600-L604 WeakPolarHBondContact OH-CD1 3.43Å; L604-A606 VanDerWaalsContact C-N 3.29Å; L604-A606 PolarHBondContact O-N 3.18Å; L604-L607 PolarHBondContact O-N 2.92Å; L604-A608 WeakPolarHBondContact O-CB 3.49Å; L604-A608 PolarHBondContact O-N 2.97Å; L604-L767 HydrophobicContact CD2-CD1 3.54Å |
| 605 | S | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -66 | -33.2 | 174.5 | 65.5 | 0 | 0 | 0 | 0 | 112 | L601 A602 S609 | L601-S605 WeakPolarHBondContact O-CB 3.49Å; L601-S605 PolarHBondContact O-N 3.14Å; L601-S605 PolarHBondContact O-OG 2.95Å; A602-S605 PolarHBondContact O-OG 2.95Å; S605-S609 WeakPolarHBondContact O-CB 3.49Å; S605-S609 PolarHBondContact O-N 2.85Å; S605-S609 PolarHBondContact O-OG 3.13Å |
| 606 | A | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -60.8 | -48.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A602 T603 L604 G610 A611 A614 M647 M771 | A602-A606 WeakPolarHBondContact O-CB 3.45Å; A602-A606 PolarHBondContact O-N 3.16Å; A602-A606 VanDerWaalsContact O-N 3.07Å; T603-A606 WeakPolarHBondContact O-CB 3.17Å; T603-A606 PolarHBondContact O-N 3.01Å; L604-A606 VanDerWaalsContact C-N 3.29Å; L604-A606 PolarHBondContact O-N 3.18Å; A606-G610 CarbonylContact O-C 3.54Å; A606-G610 WeakPolarHBondContact O-CA 3.38Å; A606-G610 PolarHBondContact O-N 3.13Å; A606-A611 HydrophobicContact CB-CB 3.88Å; A606-A611 PolarHBondContact O-N 3.47Å; A606-A614 HydrophobicContact CB-CB 3.91Å; A606-M647 HydrophobicContact CB-CB 4.29Å; A606-M647 HydrophobicContact CB-CG 3.6Å; A606-M771 HydrophobicContact CB-CG 4.23Å; A606-M771 HydrophobicContact CB-SD 3.56Å; A606-M771 VanDerWaalsContact CB-SD 3.56Å |
| 607 | L | 96.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 8.6 Ų | 8.6 | 2% | 0.021 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -64.2 | -46.7 | 177.6 | -179.2 | 59.2 | 0 | 0 | 0 | 111.9 | I93 L327 T603 L604 S609 G610 L767 L770 M771 L774 | I93-L607 WeakPolarHBondContact CD1-O 3.32Å; L327-L607 HydrophobicContact CD2-CB 3.88Å; L327-L607 HydrophobicContact CD2-CD2 3.73Å; L327-L607 HydrophobicContact CD2-CG 3.73Å; T603-L607 PolarHBondContact O-N 2.71Å; T603-L607 VanDerWaalsContact O-N 3.08Å; L604-L607 PolarHBondContact O-N 2.92Å; L607-S609 VanDerWaalsContact C-N 3.35Å; L607-S609 PolarHBondContact O-N 3.05Å; L607-G610 PolarHBondContact O-N 3.19Å; L607-L767 HydrophobicContact CD2-CB 4.32Å; L607-L767 HydrophobicContact CD2-CD1 4.49Å; L607-L770 HydrophobicContact CD1-CG 4.42Å; L607-L770 HydrophobicContact CD2-CD2 4.38Å; L607-M771 HydrophobicContact CB-CB 4.5Å; L607-M771 HydrophobicContact CB-CG 4.43Å; L607-M771 HydrophobicContact CD1-CB 4.43Å; L607-L774 HydrophobicContact CD1-CD1 3.88Å |
| 608 | A | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -67.9 | -32 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | I93 R326 L327 C571 L604 | I93-A608 VanDerWaalsContact CD1-O 3.24Å; I93-A608 WeakPolarHBondContact CD1-O 3.48Å; R326-A608 HydrophobicContact CB-CB 4.26Å; R326-A608 WeakPolarHBondContact CD-O 3.49Å; L327-A608 HydrophobicContact CD1-CB 4.41Å; L327-A608 HydrophobicContact CD2-CB 3.87Å; L327-A608 HydrophobicContact CG-CB 3.8Å; C571-A608 VanDerWaalsContact SG-CB 3.56Å; L604-A608 WeakPolarHBondContact O-CB 3.49Å; L604-A608 PolarHBondContact O-N 2.97Å |
| 609 | S | 95.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -93.8 | -9.4 | 177.9 | 70 | 0 | 0 | 0 | 0 | 113.1 | I574 K578 S605 L607 A611 | I574-S609 WeakPolarHBondContact CD1-OG 3.38Å; K578-S609 WeakPolarHBondContact CE-O 3.21Å; K578-S609 PolarHBondContact NZ-O 3.41Å; S605-S609 WeakPolarHBondContact O-CB 3.49Å; S605-S609 PolarHBondContact O-N 2.85Å; S605-S609 PolarHBondContact O-OG 3.13Å; L607-S609 VanDerWaalsContact C-N 3.35Å; L607-S609 PolarHBondContact O-N 3.05Å; S609-A611 VanDerWaalsContact C-N 3.32Å; S609-A611 PolarHBondContact OG-N 2.78Å |
| 610 | G | 92.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 12.2 Ų | 12.2 | 11% | 0.113 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 39.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A606 L607 | A606-G610 CarbonylContact O-C 3.54Å; A606-G610 WeakPolarHBondContact O-CA 3.38Å; A606-G610 PolarHBondContact O-N 3.13Å; L607-G610 PolarHBondContact O-N 3.19Å |
| 611 | A | 93.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 12.2 Ų | 12.2 | 3% | 0.025 | 7% | 0.07 | C | C | . | . | trans | -64.6 | 156.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110 | A606 S609 I645 M647 | A606-A611 HydrophobicContact CB-CB 3.88Å; A606-A611 PolarHBondContact O-N 3.47Å; S609-A611 VanDerWaalsContact C-N 3.32Å; S609-A611 PolarHBondContact OG-N 2.78Å; A611-I645 HydrophobicContact CB-CB 4.11Å; A611-I645 HydrophobicContact CB-CG2 3.82Å; A611-M647 HydrophobicContact CB-CG 3.85Å; A611-M647 HydrophobicContact CB-SD 4.2Å | ||
| 612 | D | 92.5 | Very high | 95.6 | Very high | 17 Ų | 17 | 15.1 Ų | 15.1 | 9% | 0.091 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -91.3 | -27.3 | -170.2 | -62.9 | -90.3 | 0 | 0 | 0 | 113.3 | K636 Y644 I645 A775 | D612-K636 IonicContact OD1-NZ 3.33Å; D612-Y644 HydrophobicContact CB-CD1 3.81Å; D612-Y644 HydrophobicContact CB-CD2 3.63Å; D612-Y644 HydrophobicContact CB-CE1 3.45Å; D612-Y644 VanDerWaalsContact CB-CE1 3.45Å; D612-Y644 HydrophobicContact CB-CE2 3.25Å; D612-Y644 HydrophobicContact CB-CG 3.9Å; D612-Y644 VanDerWaalsContact CG-CD2 3.48Å; D612-Y644 WeakPolarHBondContact OD2-CA 3.48Å; D612-I645 PolarHBondContact N-O 3.45Å; D612-I645 PolarHBondContact OD2-N 2.79Å; D612-A775 VanDerWaalsContact O-CB 3.28Å; D612-A775 WeakPolarHBondContact O-CB 3.44Å |
| 613 | N | 93.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 165.4 | 172.4 | -161.9 | 11.9 | 0 | 0 | 0 | 111.3 | D629 Y644 I645 I646 M647 H777 | N613-D629 PolarHBondContact ND2-OD2 3.25Å; N613-Y644 HydrophobicContact CB-CE1 4.5Å; N613-I645 PolarHBondContact N-O 3.23Å; N613-I646 HydrophobicContact CB-CG1 4.44Å; N613-I646 WeakPolarHBondContact O-CA 3.46Å; N613-M647 PolarHBondContact O-N 3.42Å; N613-H777 PolarHBondContact ND2-NE2 3.36Å |
| 614 | A | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 124.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A606 M647 R768 M771 | A606-A614 HydrophobicContact CB-CB 3.91Å; A614-M647 CarbonylContact C-O 3.58Å; A614-M647 WeakPolarHBondContact CA-O 3.39Å; A614-M647 HydrophobicContact CB-CB 3.87Å; A614-R768 PolarHBondContact O-NH1 3.05Å; A614-R768 PolarHBondContact O-NH2 2.95Å; A614-M771 HydrophobicContact CB-CE 4.26Å; A614-M771 HydrophobicContact CB-SD 3.95Å |
| 615 | Y | 97.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 126.8 | 171.9 | -63.3 | -60.8 | 0 | 0 | 0 | 110.8 | F621 M626 D629 I646 M647 R648 C649 I661 | Y615-F621 HydrophobicContact CD1-CB 4.22Å; Y615-F621 AromaticContact CD1-CD1 3.85Å; Y615-F621 HydrophobicContact CD1-CD1 3.85Å; Y615-F621 AromaticContact CD1-CD2 3.68Å; Y615-F621 HydrophobicContact CD1-CD2 3.68Å; Y615-F621 HydrophobicContact CD1-CE1 4.12Å; Y615-F621 AromaticContact CD1-CE2 3.92Å; Y615-F621 HydrophobicContact CD1-CE2 3.92Å; Y615-F621 AromaticContact CD1-CG 3.65Å; Y615-F621 HydrophobicContact CD1-CG 3.65Å; Y615-F621 HydrophobicContact CD1-CZ 4.14Å; Y615-F621 HydrophobicContact CE1-CB 4.31Å; Y615-F621 AromaticContact CE1-CD2 3.83Å; Y615-F621 HydrophobicContact CE1-CD2 3.83Å; Y615-F621 HydrophobicContact CE1-CE2 4.31Å; Y615-F621 HydrophobicContact CE1-CG 4.04Å; Y615-F621 HydrophobicContact CG-CD1 4.47Å; Y615-F621 HydrophobicContact CG-CD2 4.37Å; Y615-F621 HydrophobicContact CG-CE1 4.29Å; Y615-F621 HydrophobicContact CG-CE2 4.15Å; Y615-F621 HydrophobicContact CG-CZ 4.11Å; Y615-M626 HydrophobicContact CE1-CG 4.38Å; Y615-M626 WeakPolarHBondContact OH-CG 3.16Å; Y615-D629 PolarHBondContact OH-OD2 3.36Å; Y615-I646 HydrophobicContact CD2-CG2 3.56Å; Y615-I646 HydrophobicContact CE2-CG2 3.55Å; Y615-M647 PolarHBondContact N-O 3.13Å; Y615-R648 WeakPolarHBondContact O-CA 3.49Å; Y615-C649 PolarHBondContact O-N 3.05Å; Y615-I661 HydrophobicContact CD2-CD1 3.97Å; Y615-I661 HydrophobicContact CE2-CD1 4.14Å; Y615-I661 HydrophobicContact CE2-CG2 4.37Å |
| 616 | I | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -137 | 163.2 | -176.5 | 63.2 | 174.9 | 0 | 0 | 0 | 109.9 | A602 E618 E619 C649 W764 L765 | A602-I616 HydrophobicContact CB-CG2 3.89Å; I616-E618 VanDerWaalsContact C-N 3.35Å; I616-E618 WeakPolarHBondContact CB-OE2 3.22Å; I616-E618 HydrophobicContact CD1-CB 4.1Å; I616-E618 HydrophobicContact CG1-CB 4.45Å; I616-E619 HydrophobicContact CD1-CB 4.13Å; I616-E619 HydrophobicContact CG1-CB 3.78Å; I616-C649 HydrophobicContact CG2-CB 4.49Å; I616-W764 HydrophobicContact CD1-CH2 4.04Å; I616-W764 HydrophobicContact CD1-CZ3 3.85Å; I616-L765 HydrophobicContact CD1-CD2 3.82Å |
| 617 | F | 96.6 | Very high | 94.9 | Very high | 63 Ų | 63 | 26.3 Ų | 26.3 | 28% | 0.276 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -35.1 | -178.9 | 172.4 | -104.6 | 0 | 0 | 0 | 111.7 | Y597 E619 R756 L758 | Y597-F617 HydrophobicContact CD1-CB 4.39Å; Y597-F617 HydrophobicContact CD1-CD1 4.18Å; Y597-F617 AromaticContact CD1-CD2 3.59Å; Y597-F617 HydrophobicContact CD1-CD2 3.59Å; Y597-F617 HydrophobicContact CD1-CE1 4.42Å; Y597-F617 AromaticContact CD1-CE2 3.86Å; Y597-F617 HydrophobicContact CD1-CE2 3.86Å; Y597-F617 AromaticContact CD1-CG 3.77Å; Y597-F617 HydrophobicContact CD1-CG 3.77Å; Y597-F617 HydrophobicContact CD1-CZ 4.29Å; Y597-F617 HydrophobicContact CE1-CD2 4.2Å; Y597-F617 HydrophobicContact CE1-CE2 4.21Å; Y597-F617 HydrophobicContact CG-CG 4.45Å; Y597-F617 WeakPolarHBondContact O-CB 3.08Å; F617-E619 PolarHBondContact O-N 3.48Å; F617-R756 VanDerWaalsContact CZ-CD 3.42Å; F617-L758 HydrophobicContact CD1-CD1 4.09Å; F617-L758 HydrophobicContact CE1-CD1 4.13Å |
| 618 | E | 95.6 | Very high | 94.8 | Very high | 17 Ų | 17 | 30.9 Ų | 30.9 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.3 | -176 | -60.5 | 89 | 159 | 0 | 0 | 113.9 | C598 G599 I616 W764 L765 | C598-E618 WeakPolarHBondContact CA-OE1 3.45Å; G599-E618 WeakPolarHBondContact CA-OE2 3.21Å; G599-E618 PolarHBondContact N-OE1 3.48Å; G599-E618 PolarHBondContact N-OE2 2.97Å; G599-E618 VanDerWaalsContact N-OE2 3.14Å; I616-E618 VanDerWaalsContact C-N 3.35Å; I616-E618 WeakPolarHBondContact CB-OE2 3.22Å; I616-E618 HydrophobicContact CD1-CB 4.1Å; I616-E618 HydrophobicContact CG1-CB 4.45Å; E618-W764 VanDerWaalsContact CD-CH2 3.42Å; E618-W764 HydrophobicContact CG-CH2 4.12Å; E618-W764 HydrophobicContact CG-CZ2 4.41Å; E618-W764 VanDerWaalsContact OE1-CH2 3.26Å; E618-W764 WeakPolarHBondContact OE1-CH2 3.19Å; E618-W764 WeakPolarHBondContact OE1-CZ2 3.14Å; E618-L765 HydrophobicContact CB-CD1 4.26Å; E618-L765 HydrophobicContact CB-CD2 3.98Å |
| 619 | E | 93.7 | Very high | 94.6 | Very high | 14 Ų | 14 | 30.9 Ų | 30.9 | 7% | 0.065 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -128.1 | 92.8 | -179.1 | -169.1 | -173.5 | 112.3 | 0 | 0 | 108.5 | I616 F617 R768 R772 Y781 | I616-E619 HydrophobicContact CD1-CB 4.13Å; I616-E619 HydrophobicContact CG1-CB 3.78Å; F617-E619 PolarHBondContact O-N 3.48Å; E619-R768 IonicContact OE1-CZ 2.98Å; E619-R768 IonicContact OE1-NH2 2.64Å; E619-R768 PolarHBondContact OE1-NH2 3.04Å; E619-R768 IonicContact OE2-CZ 3.62Å; E619-R768 VanDerWaalsContact OE2-CZ 3.28Å; E619-R768 IonicContact OE2-NE 3.02Å; E619-R768 PolarHBondContact OE2-NE 3.32Å; E619-R768 IonicContact OE2-NH2 3.04Å; E619-R768 PolarHBondContact OE2-NH2 3.32Å; E619-R772 IonicContact OE1-CZ 3.4Å; E619-R772 IonicContact OE1-NH2 2.71Å; E619-R772 PolarHBondContact OE1-NH2 2.65Å; E619-R772 IonicContact OE2-CZ 3.66Å; E619-R772 IonicContact OE2-NH2 3.04Å; E619-R772 PolarHBondContact OE2-NH2 3.07Å; E619-Y781 WeakPolarHBondContact OE1-CD2 3.34Å |
| 620 | P | 92.9 | Very high | 94.6 | Very high | 109 Ų | 109 | 31.2 Ų | 31.2 | 71% | 0.708 | 16% | 0.164 | S | C | * | . | trans | -57.8 | 141.5 | -179.1 | -24.9 | 34.4 | 0 | 0 | 0 | 111.9 | ||||
| 621 | F | 94.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | trans | -137 | 151.2 | 179 | 59.3 | -80.5 | 0 | 0 | 0 | 110.1 | Y615 M626 A652 N653 Y656 I661 Y781 | Y615-F621 HydrophobicContact CD1-CB 4.22Å; Y615-F621 AromaticContact CD1-CD1 3.85Å; Y615-F621 HydrophobicContact CD1-CD1 3.85Å; Y615-F621 AromaticContact CD1-CD2 3.68Å; Y615-F621 HydrophobicContact CD1-CD2 3.68Å; Y615-F621 HydrophobicContact CD1-CE1 4.12Å; Y615-F621 AromaticContact CD1-CE2 3.92Å; Y615-F621 HydrophobicContact CD1-CE2 3.92Å; Y615-F621 AromaticContact CD1-CG 3.65Å; Y615-F621 HydrophobicContact CD1-CG 3.65Å; Y615-F621 HydrophobicContact CD1-CZ 4.14Å; Y615-F621 HydrophobicContact CE1-CB 4.31Å; Y615-F621 AromaticContact CE1-CD2 3.83Å; Y615-F621 HydrophobicContact CE1-CD2 3.83Å; Y615-F621 HydrophobicContact CE1-CE2 4.31Å; Y615-F621 HydrophobicContact CE1-CG 4.04Å; Y615-F621 HydrophobicContact CG-CD1 4.47Å; Y615-F621 HydrophobicContact CG-CD2 4.37Å; Y615-F621 HydrophobicContact CG-CE1 4.29Å; Y615-F621 HydrophobicContact CG-CE2 4.15Å; Y615-F621 HydrophobicContact CG-CZ 4.11Å; F621-M626 HydrophobicContact CD2-CE 4.01Å; F621-M626 HydrophobicContact CD2-CG 4.27Å; F621-M626 HydrophobicContact CD2-SD 4.43Å; F621-M626 HydrophobicContact CE2-CE 4.04Å; F621-M626 HydrophobicContact CE2-SD 4.32Å; F621-A652 HydrophobicContact CE1-CB 4.02Å; F621-A652 HydrophobicContact CZ-CB 4.29Å; F621-N653 HydrophobicContact CE1-CB 4.1Å; F621-N653 HydrophobicContact CZ-CB 3.75Å; F621-Y656 HydrophobicContact CD2-CD2 4.06Å; F621-Y656 AromaticContact CE2-CD2 3.66Å; F621-Y656 HydrophobicContact CE2-CD2 3.66Å; F621-Y656 HydrophobicContact CE2-CG 4.21Å; F621-Y656 HydrophobicContact CZ-CD2 4.21Å; F621-Y656 WeakPolarHBondContact O-CE2 3.25Å; F621-I661 HydrophobicContact CE2-CD1 4.43Å; F621-Y781 HydrophobicContact CB-CD1 3.99Å; F621-Y781 HydrophobicContact CB-CE1 3.5Å; F621-Y781 VanDerWaalsContact CB-CE1 3.5Å | ||
| 622 | T | 95.2 | Very high | 94.6 | Very high | 62 Ų | 62 | 36.8 Ų | 36.8 | 38% | 0.38 | 19% | 0.188 | S | C | . | . | trans | -116 | 172.9 | -177.2 | 67.7 | 0 | 0 | 0 | 0 | 111.6 | D624 D625 M626 | T622-D624 PolarHBondContact O-N 3.09Å; T622-D624 PolarHBondContact OG1-N 3.39Å; T622-D625 WeakPolarHBondContact CB-OD2 3.42Å; T622-D625 PolarHBondContact N-OD2 3.46Å; T622-D625 PolarHBondContact O-N 3.43Å; T622-D625 PolarHBondContact OG1-N 3.13Å; T622-D625 PolarHBondContact OG1-OD2 2.91Å; T622-M626 PolarHBondContact O-N 2.96Å; T622-M626 VanDerWaalsContact O-N 3.1Å | ||
| 623 | V | 95.2 | Very high | 94.6 | Very high | 50 Ų | 50 | 36 Ų | 36 | 30% | 0.303 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.6 | -35.8 | 170.4 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | D625 M626 K627 Y656 F660 L664 | V623-D625 VanDerWaalsContact C-N 3.34Å; V623-D625 PolarHBondContact O-N 3.1Å; V623-M626 HydrophobicContact CG2-CE 4.2Å; V623-M626 WeakPolarHBondContact O-CB 3.35Å; V623-M626 PolarHBondContact O-N 2.87Å; V623-K627 HydrophobicContact CG1-CD 4.19Å; V623-K627 HydrophobicContact CG1-CG 4.41Å; V623-K627 WeakPolarHBondContact O-CG 3.26Å; V623-K627 PolarHBondContact O-N 3.44Å; V623-Y656 HydrophobicContact CG2-CE1 4.07Å; V623-F660 HydrophobicContact CG2-CZ 4.45Å; V623-L664 HydrophobicContact CG1-CD2 4.32Å |
| 624 | D | 94.4 | Very high | 94.5 | Very high | 100 Ų | 100 | 36.5 Ų | 36.5 | 54% | 0.535 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -68.4 | -35.2 | 178.7 | -69.5 | -41.3 | 0 | 0 | 0 | 112.5 | T622 K627 R628 | T622-D624 PolarHBondContact O-N 3.09Å; T622-D624 PolarHBondContact OG1-N 3.39Å; D624-K627 PolarHBondContact O-N 3.25Å; D624-R628 WeakPolarHBondContact O-CG 3.4Å; D624-R628 PolarHBondContact O-N 2.93Å; D624-R628 PolarHBondContact O-NE 2.8Å |
| 625 | D | 93.6 | Very high | 94.3 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.8 | -45.4 | 172.5 | -58.6 | -61.9 | 0 | 0 | 0 | 111.5 | T622 V623 K627 R628 D629 Y781 | T622-D625 WeakPolarHBondContact CB-OD2 3.42Å; T622-D625 PolarHBondContact N-OD2 3.46Å; T622-D625 PolarHBondContact O-N 3.43Å; T622-D625 PolarHBondContact OG1-N 3.13Å; T622-D625 PolarHBondContact OG1-OD2 2.91Å; V623-D625 VanDerWaalsContact C-N 3.34Å; V623-D625 PolarHBondContact O-N 3.1Å; D625-K627 VanDerWaalsContact C-N 3.28Å; D625-K627 PolarHBondContact O-N 2.62Å; D625-R628 WeakPolarHBondContact O-CA 3.49Å; D625-R628 WeakPolarHBondContact O-CB 3.03Å; D625-R628 PolarHBondContact O-N 3.25Å; D625-R628 VanDerWaalsContact O-N 3.09Å; D625-R628 IonicContact OD1-CZ 2.96Å; D625-R628 IonicContact OD1-NH1 2.73Å; D625-R628 PolarHBondContact OD1-NH1 3.48Å; D625-R628 IonicContact OD1-NH2 2.66Å; D625-R628 PolarHBondContact OD1-NH2 2.89Å; D625-D629 PolarHBondContact O-N 3.33Å; D625-Y781 HydrophobicContact CB-CD1 4.01Å; D625-Y781 HydrophobicContact CB-CE1 3.16Å |
| 626 | M | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -40.3 | 175 | -80.1 | -172.3 | -92.3 | 0 | 0 | 112.1 | Y615 F621 T622 V623 D629 V630 Y656 F660 I661 L664 F665 | Y615-M626 HydrophobicContact CE1-CG 4.38Å; Y615-M626 WeakPolarHBondContact OH-CG 3.16Å; F621-M626 HydrophobicContact CD2-CE 4.01Å; F621-M626 HydrophobicContact CD2-CG 4.27Å; F621-M626 HydrophobicContact CD2-SD 4.43Å; F621-M626 HydrophobicContact CE2-CE 4.04Å; F621-M626 HydrophobicContact CE2-SD 4.32Å; T622-M626 PolarHBondContact O-N 2.96Å; T622-M626 VanDerWaalsContact O-N 3.1Å; V623-M626 HydrophobicContact CG2-CE 4.2Å; V623-M626 WeakPolarHBondContact O-CB 3.35Å; V623-M626 PolarHBondContact O-N 2.87Å; M626-D629 WeakPolarHBondContact O-CB 3.46Å; M626-D629 PolarHBondContact O-N 3.18Å; M626-V630 WeakPolarHBondContact O-CG2 3.34Å; M626-V630 PolarHBondContact O-N 3.17Å; M626-Y656 HydrophobicContact CE-CD1 4Å; M626-Y656 HydrophobicContact CE-CD2 3.66Å; M626-Y656 HydrophobicContact CE-CE1 4.4Å; M626-Y656 HydrophobicContact CE-CE2 4.08Å; M626-Y656 HydrophobicContact CE-CG 3.62Å; M626-F660 HydrophobicContact CE-CE1 4.09Å; M626-F660 HydrophobicContact SD-CE1 4.44Å; M626-I661 HydrophobicContact SD-CD1 4.32Å; M626-I661 HydrophobicContact SD-CG1 3.79Å; M626-I661 HydrophobicContact SD-CG2 4.34Å; M626-L664 HydrophobicContact CB-CD2 3.76Å; M626-L664 HydrophobicContact CG-CD2 4.46Å; M626-L664 HydrophobicContact SD-CD2 3.89Å; M626-F665 HydrophobicContact CB-CE1 3.92Å; M626-F665 HydrophobicContact CG-CE1 4.16Å |
| 627 | K | 94.2 | Very high | 93.4 | Very high | 77 Ų | 77 | 45.6 Ų | 45.6 | 34% | 0.335 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.7 | -40.4 | 174.6 | -73.6 | 176.5 | 69.7 | 177.9 | 0 | 112.1 | V623 D624 D625 D629 V630 Q631 | V623-K627 HydrophobicContact CG1-CD 4.19Å; V623-K627 HydrophobicContact CG1-CG 4.41Å; V623-K627 WeakPolarHBondContact O-CG 3.26Å; V623-K627 PolarHBondContact O-N 3.44Å; D624-K627 PolarHBondContact O-N 3.25Å; D625-K627 VanDerWaalsContact C-N 3.28Å; D625-K627 PolarHBondContact O-N 2.62Å; K627-D629 VanDerWaalsContact C-N 3.27Å; K627-D629 PolarHBondContact O-N 3.37Å; K627-V630 WeakPolarHBondContact O-CB 3.2Å; K627-V630 PolarHBondContact O-N 2.87Å; K627-Q631 WeakPolarHBondContact O-CG 3.39Å; K627-Q631 PolarHBondContact O-N 3.49Å; K627-Q631 VanDerWaalsContact O-N 3.09Å |
| 628 | R | 93.9 | Very high | 92.9 | Very high | 99 Ų | 99 | 49.9 Ų | 49.9 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.9 | -40.1 | 172.2 | -78.7 | -179.5 | -101 | 139.7 | -6.8 | 111.2 | D624 D625 Q631 V632 | D624-R628 WeakPolarHBondContact O-CG 3.4Å; D624-R628 PolarHBondContact O-N 2.93Å; D624-R628 PolarHBondContact O-NE 2.8Å; D625-R628 WeakPolarHBondContact O-CA 3.49Å; D625-R628 WeakPolarHBondContact O-CB 3.03Å; D625-R628 PolarHBondContact O-N 3.25Å; D625-R628 VanDerWaalsContact O-N 3.09Å; D625-R628 IonicContact OD1-CZ 2.96Å; D625-R628 IonicContact OD1-NH1 2.73Å; D625-R628 PolarHBondContact OD1-NH1 3.48Å; D625-R628 IonicContact OD1-NH2 2.66Å; D625-R628 PolarHBondContact OD1-NH2 2.89Å; R628-Q631 WeakPolarHBondContact O-CB 3.22Å; R628-Q631 PolarHBondContact O-N 2.93Å; R628-V632 WeakPolarHBondContact O-CG2 3.37Å; R628-V632 PolarHBondContact O-N 3.12Å |
| 629 | D | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 176.8 | -73.6 | -2.9 | 0 | 0 | 0 | 111.8 | N613 Y615 D625 M626 K627 Q631 V632 I633 F665 H777 S779 Y781 | N613-D629 PolarHBondContact ND2-OD2 3.25Å; Y615-D629 PolarHBondContact OH-OD2 3.36Å; D625-D629 PolarHBondContact O-N 3.33Å; M626-D629 WeakPolarHBondContact O-CB 3.46Å; M626-D629 PolarHBondContact O-N 3.18Å; K627-D629 VanDerWaalsContact C-N 3.27Å; K627-D629 PolarHBondContact O-N 3.37Å; D629-Q631 VanDerWaalsContact C-N 3.28Å; D629-Q631 PolarHBondContact O-N 3.37Å; D629-V632 WeakPolarHBondContact O-CB 3.48Å; D629-V632 PolarHBondContact O-N 3.46Å; D629-V632 VanDerWaalsContact O-N 3.11Å; D629-I633 WeakPolarHBondContact O-CG1 3.05Å; D629-I633 PolarHBondContact O-N 3.06Å; D629-F665 HydrophobicContact CB-CZ 4.16Å; D629-H777 IonicContact OD1-CE1 2.94Å; D629-H777 PolarHBondContact OD1-CE1 2.92Å; D629-H777 IonicContact OD1-NE2 3.66Å; D629-H777 PolarHBondContact OD1-NE2 3.24Å; D629-H777 IonicContact OD2-NE2 3.84Å; D629-S779 PolarHBondContact OD1-OG 3.02Å; D629-Y781 PolarHBondContact OD2-OH 3.24Å |
| 630 | V | 95.3 | Very high | 91.7 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54.8 | -43.8 | 171.9 | 168 | 0 | 0 | 0 | 0 | 111.6 | M626 K627 I633 A634 F665 E668 F673 | M626-V630 WeakPolarHBondContact O-CG2 3.34Å; M626-V630 PolarHBondContact O-N 3.17Å; K627-V630 WeakPolarHBondContact O-CB 3.2Å; K627-V630 PolarHBondContact O-N 2.87Å; V630-I633 PolarHBondContact O-N 3.46Å; V630-A634 WeakPolarHBondContact O-CB 3.36Å; V630-A634 PolarHBondContact O-N 2.88Å; V630-F665 HydrophobicContact CG2-CB 4.34Å; V630-F665 HydrophobicContact CG2-CD1 3.76Å; V630-F665 HydrophobicContact CG2-CD2 3.89Å; V630-F665 HydrophobicContact CG2-CE1 3.93Å; V630-F665 HydrophobicContact CG2-CE2 4.02Å; V630-F665 HydrophobicContact CG2-CG 3.73Å; V630-F665 HydrophobicContact CG2-CZ 4.04Å; V630-E668 HydrophobicContact CB-CB 4.47Å; V630-E668 HydrophobicContact CG1-CB 3.86Å; V630-E668 HydrophobicContact CG2-CB 4.26Å; V630-F673 HydrophobicContact CB-CZ 4.48Å; V630-F673 HydrophobicContact CG1-CE1 4.3Å; V630-F673 HydrophobicContact CG1-CZ 3.94Å; V630-F673 HydrophobicContact CG2-CZ 4.44Å |
| 631 | Q | 93.6 | Very high | 91.1 | Very high | 116 Ų | 116 | 51.2 Ų | 51.2 | 54% | 0.542 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 177 | -65.8 | 171.6 | -0.3 | 0 | 0 | 112.4 | K627 R628 D629 R635 | K627-Q631 WeakPolarHBondContact O-CG 3.39Å; K627-Q631 PolarHBondContact O-N 3.49Å; K627-Q631 VanDerWaalsContact O-N 3.09Å; R628-Q631 WeakPolarHBondContact O-CB 3.22Å; R628-Q631 PolarHBondContact O-N 2.93Å; D629-Q631 VanDerWaalsContact C-N 3.28Å; D629-Q631 PolarHBondContact O-N 3.37Å; Q631-R635 WeakPolarHBondContact O-CG 3.49Å; Q631-R635 PolarHBondContact O-N 2.86Å |
| 632 | V | 91.6 | Very high | 90.6 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 174.4 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | R628 D629 R635 K636 | R628-V632 WeakPolarHBondContact O-CG2 3.37Å; R628-V632 PolarHBondContact O-N 3.12Å; D629-V632 WeakPolarHBondContact O-CB 3.48Å; D629-V632 PolarHBondContact O-N 3.46Å; D629-V632 VanDerWaalsContact O-N 3.11Å; V632-R635 PolarHBondContact O-N 3.34Å; V632-K636 HydrophobicContact CG1-CD 4.22Å; V632-K636 PolarHBondContact O-N 2.81Å |
| 633 | I | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.4 | -50 | 178.2 | -64.8 | 164.3 | 0 | 0 | 0 | 110.2 | V588 D629 V630 R635 K636 M637 Y644 I646 F665 F673 | V588-I633 HydrophobicContact CG1-CD1 4.34Å; V588-I633 HydrophobicContact CG2-CD1 4.29Å; V588-I633 HydrophobicContact CG2-CG2 3.59Å; D629-I633 WeakPolarHBondContact O-CG1 3.05Å; D629-I633 PolarHBondContact O-N 3.06Å; V630-I633 PolarHBondContact O-N 3.46Å; I633-R635 VanDerWaalsContact C-N 3.27Å; I633-R635 PolarHBondContact O-N 2.67Å; I633-K636 PolarHBondContact O-N 3.23Å; I633-M637 HydrophobicContact CG2-CE 4.17Å; I633-M637 HydrophobicContact CG2-CG 4.03Å; I633-M637 WeakPolarHBondContact O-CB 3.4Å; I633-M637 WeakPolarHBondContact O-CG 3.19Å; I633-M637 PolarHBondContact O-N 2.83Å; I633-Y644 HydrophobicContact CD1-CD1 3.7Å; I633-Y644 HydrophobicContact CD1-CE1 3.76Å; I633-Y644 HydrophobicContact CD1-CG 4.2Å; I633-Y644 HydrophobicContact CG1-CD1 3.62Å; I633-Y644 HydrophobicContact CG1-CD2 3.78Å; I633-Y644 HydrophobicContact CG1-CE1 3.6Å; I633-Y644 HydrophobicContact CG1-CE2 3.77Å; I633-Y644 HydrophobicContact CG1-CG 3.7Å; I633-Y644 HydrophobicContact CG2-CD2 4.49Å; I633-Y644 HydrophobicContact CG2-CG 4.3Å; I633-I646 HydrophobicContact CD1-CD1 4.2Å; I633-F665 HydrophobicContact CD1-CD2 3.96Å; I633-F665 HydrophobicContact CD1-CE2 3.55Å; I633-F673 HydrophobicContact CB-CD1 4.39Å; I633-F673 HydrophobicContact CB-CE1 3.81Å; I633-F673 HydrophobicContact CB-CZ 4.19Å; I633-F673 HydrophobicContact CD1-CZ 4.48Å; I633-F673 HydrophobicContact CG2-CD1 3.53Å; I633-F673 HydrophobicContact CG2-CE1 3.41Å; I633-F673 VanDerWaalsContact CG2-CE1 3.41Å; I633-F673 HydrophobicContact CG2-CE2 4.41Å; I633-F673 HydrophobicContact CG2-CG 4.08Å; I633-F673 HydrophobicContact CG2-CZ 3.87Å |
| 634 | A | 92.3 | Very high | 90.2 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 10% | 0.099 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.1 | -40.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V630 K638 N672 F673 | V630-A634 WeakPolarHBondContact O-CB 3.36Å; V630-A634 PolarHBondContact O-N 2.88Å; A634-K638 WeakPolarHBondContact O-CG 2.9Å; A634-K638 PolarHBondContact O-N 3.25Å; A634-K638 VanDerWaalsContact O-N 3.07Å; A634-N672 HydrophobicContact CB-CB 4.11Å; A634-F673 HydrophobicContact CB-CE1 4.29Å |
| 635 | R | 90 | Very high | 90.2 | Very high | 163 Ų | 163 | 45.6 Ų | 45.6 | 62% | 0.615 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -64 | -48.5 | 174.9 | -74.9 | -173.5 | -68.1 | 161.2 | -5 | 112.5 | Q631 V632 I633 M637 K638 S639 | Q631-R635 WeakPolarHBondContact O-CG 3.49Å; Q631-R635 PolarHBondContact O-N 2.86Å; V632-R635 PolarHBondContact O-N 3.34Å; I633-R635 VanDerWaalsContact C-N 3.27Å; I633-R635 PolarHBondContact O-N 2.67Å; R635-M637 VanDerWaalsContact C-N 3.32Å; R635-M637 PolarHBondContact O-N 3.48Å; R635-K638 WeakPolarHBondContact O-CB 3.43Å; R635-K638 PolarHBondContact O-N 3.17Å; R635-S639 PolarHBondContact O-N 3.26Å; R635-S639 VanDerWaalsContact O-N 3.09Å |
| 636 | K | 87.9 | Confident | 90.3 | Very high | 30 Ų | 30 | 45 Ų | 45 | 13% | 0.13 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 177 | -79.2 | -179.7 | 165.5 | -170.6 | 0 | 112.1 | D612 V632 I633 K638 S639 G640 V641 Y644 A775 G776 | D612-K636 IonicContact OD1-NZ 3.33Å; V632-K636 HydrophobicContact CG1-CD 4.22Å; V632-K636 PolarHBondContact O-N 2.81Å; I633-K636 PolarHBondContact O-N 3.23Å; K636-K638 VanDerWaalsContact C-N 3.31Å; K636-K638 PolarHBondContact O-N 2.74Å; K636-S639 PolarHBondContact O-N 2.85Å; K636-S639 PolarHBondContact O-OG 2.99Å; K636-G640 PolarHBondContact O-N 3.1Å; K636-V641 HydrophobicContact CB-CB 4.2Å; K636-V641 HydrophobicContact CB-CG2 4Å; K636-V641 VanDerWaalsContact O-CB 3.25Å; K636-V641 WeakPolarHBondContact O-CB 3.43Å; K636-V641 WeakPolarHBondContact O-CG2 3.25Å; K636-V641 PolarHBondContact O-N 3.36Å; K636-V641 VanDerWaalsContact O-N 3.1Å; K636-Y644 HydrophobicContact CD-CD2 4.2Å; K636-Y644 HydrophobicContact CD-CE2 3.81Å; K636-A775 PolarHBondContact NZ-O 2.86Å; K636-G776 WeakPolarHBondContact CE-O 3.41Å; K636-G776 PolarHBondContact NZ-O 3Å |
| 637 | M | 88.5 | Confident | 90.4 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.7 | -33.3 | 178.6 | -67.4 | -76.2 | 176.8 | 0 | 0 | 112.3 | R586 V588 I633 R635 G640 V641 R643 | R586-M637 HydrophobicContact CB-SD 3.97Å; R586-M637 HydrophobicContact CG-CB 4.48Å; R586-M637 HydrophobicContact CG-SD 4.12Å; V588-M637 HydrophobicContact CG2-CE 4.43Å; I633-M637 HydrophobicContact CG2-CE 4.17Å; I633-M637 HydrophobicContact CG2-CG 4.03Å; I633-M637 WeakPolarHBondContact O-CB 3.4Å; I633-M637 WeakPolarHBondContact O-CG 3.19Å; I633-M637 PolarHBondContact O-N 2.83Å; R635-M637 VanDerWaalsContact C-N 3.32Å; R635-M637 PolarHBondContact O-N 3.48Å; M637-G640 PolarHBondContact O-N 3.13Å; M637-V641 WeakPolarHBondContact CA-O 3.49Å; M637-R643 VanDerWaalsContact CE-C 3.45Å |
| 638 | K | 86.5 | Confident | 90.6 | Very high | 154 Ų | 154 | 41.7 Ų | 41.7 | 67% | 0.67 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -68.6 | -34 | 172.1 | -75.6 | 176.8 | -178 | -177.6 | 0 | 112.5 | A634 R635 K636 G640 | A634-K638 WeakPolarHBondContact O-CG 2.9Å; A634-K638 PolarHBondContact O-N 3.25Å; A634-K638 VanDerWaalsContact O-N 3.07Å; R635-K638 WeakPolarHBondContact O-CB 3.43Å; R635-K638 PolarHBondContact O-N 3.17Å; K636-K638 VanDerWaalsContact C-N 3.31Å; K636-K638 PolarHBondContact O-N 2.74Å; K638-G640 PolarHBondContact O-N 2.88Å |
| 639 | S | 82.1 | Confident | 90.8 | Very high | 87 Ų | 87 | 37 Ų | 37 | 61% | 0.608 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 6 | 177 | 71.4 | 0 | 0 | 0 | 0 | 114.3 | R635 K636 | R635-S639 PolarHBondContact O-N 3.26Å; R635-S639 VanDerWaalsContact O-N 3.09Å; K636-S639 PolarHBondContact O-N 2.85Å; K636-S639 PolarHBondContact O-OG 2.99Å |
| 640 | G | 81.6 | Confident | 90.9 | Very high | 45 Ų | 45 | 39.9 Ų | 39.9 | 46% | 0.464 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 110.2 | -7.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K636 M637 K638 Q642 | K636-G640 PolarHBondContact O-N 3.1Å; M637-G640 PolarHBondContact O-N 3.13Å; K638-G640 PolarHBondContact O-N 2.88Å; G640-Q642 PolarHBondContact O-N 2.76Å; G640-Q642 PolarHBondContact O-NE2 3.39Å |
| 641 | V | 81.2 | Confident | 91 | Very high | 35 Ų | 35 | 45 Ų | 45 | 21% | 0.212 | 22% | 0.221 | C | C | . | . | trans | -61.5 | 132.6 | 174.5 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | K636 M637 R643 | K636-V641 HydrophobicContact CB-CB 4.2Å; K636-V641 HydrophobicContact CB-CG2 4Å; K636-V641 VanDerWaalsContact O-CB 3.25Å; K636-V641 WeakPolarHBondContact O-CB 3.43Å; K636-V641 WeakPolarHBondContact O-CG2 3.25Å; K636-V641 PolarHBondContact O-N 3.36Å; K636-V641 VanDerWaalsContact O-N 3.1Å; M637-V641 WeakPolarHBondContact CA-O 3.49Å; V641-R643 WeakPolarHBondContact CG1-O 3.27Å | ||
| 642 | Q | 83.1 | Confident | 91.2 | Very high | 79 Ų | 79 | 39.8 Ų | 39.8 | 37% | 0.369 | 20% | 0.198 | S | C | . | . | trans | -98.6 | -22.1 | -177.4 | -61.7 | -56.7 | -48.3 | 0 | 0 | 113.4 | R586 R587 G640 | R586-Q642 WeakPolarHBondContact CA-O 3.16Å; R586-Q642 PolarHBondContact N-O 3.5Å; R587-Q642 PolarHBondContact N-O 3.06Å; G640-Q642 PolarHBondContact O-N 2.76Å; G640-Q642 PolarHBondContact O-NE2 3.39Å | ||
| 643 | R | 89.7 | Confident | 91.4 | Very high | 23 Ų | 23 | 41.1 Ų | 41.1 | 9% | 0.087 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 150.8 | -175.6 | 66.6 | 171.4 | -163.8 | 77.6 | -3.8 | 111.8 | D91 A581 R587 M637 V641 | D91-R643 IonicContact OD1-CZ 2.69Å; D91-R643 VanDerWaalsContact OD1-CZ 3.22Å; D91-R643 IonicContact OD1-NE 3.72Å; D91-R643 PolarHBondContact OD1-NE 3.31Å; D91-R643 IonicContact OD1-NH2 2.94Å; D91-R643 PolarHBondContact OD1-NH2 2.84Å; D91-R643 IonicContact OD2-CZ 3.1Å; D91-R643 IonicContact OD2-NE 2.71Å; D91-R643 PolarHBondContact OD2-NE 2.81Å; D91-R643 IonicContact OD2-NH2 3.53Å; A581-R643 HydrophobicContact CB-CB 3.89Å; R587-R643 CarbonylContact O-C 3.48Å; R587-R643 VanDerWaalsContact O-CA 3.25Å; R587-R643 WeakPolarHBondContact O-CA 3.49Å; M637-R643 VanDerWaalsContact CE-C 3.45Å; V641-R643 WeakPolarHBondContact CG1-O 3.27Å |
| 644 | Y | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 133.8 | 170.6 | -161.3 | -89.2 | 0 | 0 | 0 | 109.2 | R587 V588 F589 D612 N613 I633 K636 I646 H777 | R587-Y644 PolarHBondContact O-N 3.28Å; V588-Y644 CarbonylContact C-O 3.6Å; V588-Y644 VanDerWaalsContact CA-O 3.31Å; V588-Y644 WeakPolarHBondContact CA-O 3.29Å; V588-Y644 HydrophobicContact CG1-CD1 4.44Å; F589-Y644 PolarHBondContact N-O 2.98Å; D612-Y644 HydrophobicContact CB-CD1 3.81Å; D612-Y644 HydrophobicContact CB-CD2 3.63Å; D612-Y644 HydrophobicContact CB-CE1 3.45Å; D612-Y644 VanDerWaalsContact CB-CE1 3.45Å; D612-Y644 HydrophobicContact CB-CE2 3.25Å; D612-Y644 HydrophobicContact CB-CG 3.9Å; D612-Y644 VanDerWaalsContact CG-CD2 3.48Å; D612-Y644 WeakPolarHBondContact OD2-CA 3.48Å; N613-Y644 HydrophobicContact CB-CE1 4.5Å; I633-Y644 HydrophobicContact CD1-CD1 3.7Å; I633-Y644 HydrophobicContact CD1-CE1 3.76Å; I633-Y644 HydrophobicContact CD1-CG 4.2Å; I633-Y644 HydrophobicContact CG1-CD1 3.62Å; I633-Y644 HydrophobicContact CG1-CD2 3.78Å; I633-Y644 HydrophobicContact CG1-CE1 3.6Å; I633-Y644 HydrophobicContact CG1-CE2 3.77Å; I633-Y644 HydrophobicContact CG1-CG 3.7Å; I633-Y644 HydrophobicContact CG2-CD2 4.49Å; I633-Y644 HydrophobicContact CG2-CG 4.3Å; K636-Y644 HydrophobicContact CD-CD2 4.2Å; K636-Y644 HydrophobicContact CD-CE2 3.81Å; Y644-I646 HydrophobicContact CD1-CD1 4.12Å; Y644-I646 HydrophobicContact CD1-CG1 3.71Å; Y644-I646 HydrophobicContact CE1-CD1 3.95Å; Y644-I646 HydrophobicContact CE1-CG1 3.59Å; Y644-H777 PolarHBondContact OH-CE1 3Å; Y644-H777 PolarHBondContact OH-ND1 3.31Å |
| 645 | I | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.7 | -179.5 | -61.4 | -178.4 | 0 | 0 | 0 | 109.7 | I574 K578 F589 V591 A611 D612 N613 M647 | I574-I645 HydrophobicContact CG2-CD1 3.91Å; K578-I645 HydrophobicContact CG-CD1 3.62Å; F589-I645 HydrophobicContact CB-CG1 4.4Å; F589-I645 WeakPolarHBondContact O-CA 3.37Å; V591-I645 HydrophobicContact CG2-CG2 4.07Å; A611-I645 HydrophobicContact CB-CB 4.11Å; A611-I645 HydrophobicContact CB-CG2 3.82Å; D612-I645 PolarHBondContact N-O 3.45Å; D612-I645 PolarHBondContact OD2-N 2.79Å; N613-I645 PolarHBondContact N-O 3.23Å; I645-M647 HydrophobicContact CG2-SD 3.99Å |
| 646 | I | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 121 | 175.4 | -59.5 | 176.3 | 0 | 0 | 0 | 107.7 | V588 F589 I590 V591 N613 Y615 I633 Y644 F665 | V588-I646 HydrophobicContact CG1-CD1 4.24Å; F589-I646 PolarHBondContact O-N 2.91Å; I590-I646 CarbonylContact C-O 3.54Å; I590-I646 WeakPolarHBondContact CA-O 3.22Å; V591-I646 PolarHBondContact N-O 3.43Å; N613-I646 HydrophobicContact CB-CG1 4.44Å; N613-I646 WeakPolarHBondContact O-CA 3.46Å; Y615-I646 HydrophobicContact CD2-CG2 3.56Å; Y615-I646 HydrophobicContact CE2-CG2 3.55Å; I633-I646 HydrophobicContact CD1-CD1 4.2Å; Y644-I646 HydrophobicContact CD1-CD1 4.12Å; Y644-I646 HydrophobicContact CD1-CG1 3.71Å; Y644-I646 HydrophobicContact CE1-CD1 3.95Å; Y644-I646 HydrophobicContact CE1-CG1 3.59Å; I646-F665 HydrophobicContact CD1-CD2 4.18Å; I646-F665 HydrophobicContact CD1-CE2 3.37Å; I646-F665 HydrophobicContact CD1-CZ 3.99Å |
| 647 | M | 97.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 144 | 168.6 | -53.5 | -52.7 | -58.1 | 0 | 0 | 109.5 | I570 I574 V591 T593 A602 A606 A611 N613 A614 Y615 I645 | I570-M647 HydrophobicContact CG2-CE 4.12Å; I574-M647 HydrophobicContact CD1-CE 3.63Å; I574-M647 HydrophobicContact CD1-SD 3.52Å; I574-M647 VanDerWaalsContact CD1-SD 3.52Å; I574-M647 HydrophobicContact CG1-CE 4.38Å; I574-M647 HydrophobicContact CG1-SD 4.28Å; V591-M647 HydrophobicContact CB-CE 3.76Å; V591-M647 HydrophobicContact CB-SD 3.84Å; V591-M647 HydrophobicContact CG1-CE 3.64Å; V591-M647 HydrophobicContact CG1-SD 4.27Å; V591-M647 HydrophobicContact CG2-SD 4.4Å; V591-M647 CarbonylContact O-C 3.23Å; V591-M647 WeakPolarHBondContact O-CA 3.49Å; T593-M647 HydrophobicContact CG2-CE 3.41Å; T593-M647 VanDerWaalsContact CG2-CE 3.41Å; A602-M647 HydrophobicContact CB-CB 4.32Å; A606-M647 HydrophobicContact CB-CB 4.29Å; A606-M647 HydrophobicContact CB-CG 3.6Å; A611-M647 HydrophobicContact CB-CG 3.85Å; A611-M647 HydrophobicContact CB-SD 4.2Å; N613-M647 PolarHBondContact O-N 3.42Å; A614-M647 CarbonylContact C-O 3.58Å; A614-M647 WeakPolarHBondContact CA-O 3.39Å; A614-M647 HydrophobicContact CB-CB 3.87Å; Y615-M647 PolarHBondContact N-O 3.13Å; I645-M647 HydrophobicContact CG2-SD 3.99Å |
| 648 | R | 97.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 125.9 | 172 | 171.9 | 173.2 | 172.1 | -66 | -12.3 | 109.2 | I590 V591 E592 T593 Y615 E650 A652 N653 Y656 T658 | I590-R648 HydrophobicContact CG2-CB 4.35Å; V591-R648 PolarHBondContact O-N 3.34Å; E592-R648 CarbonylContact C-O 3.48Å; E592-R648 VanDerWaalsContact CA-O 3.27Å; E592-R648 WeakPolarHBondContact CA-O 3.38Å; E592-R648 IonicContact OE2-CZ 3.38Å; E592-R648 IonicContact OE2-NH1 3.72Å; E592-R648 PolarHBondContact OE2-NH1 3Å; T593-R648 PolarHBondContact N-O 2.91Å; Y615-R648 WeakPolarHBondContact O-CA 3.49Å; R648-E650 PolarHBondContact NH1-O 2.95Å; R648-E650 PolarHBondContact NH2-O 3.17Å; R648-A652 HydrophobicContact CG-CB 4.22Å; R648-N653 PolarHBondContact NH2-O 2.94Å; R648-Y656 PolarHBondContact NE-O 3.48Å; R648-Y656 PolarHBondContact NH2-O 3.29Å; R648-T658 WeakPolarHBondContact CD-OG1 3.29Å; R648-T658 PolarHBondContact NH1-OG1 3.44Å |
| 649 | C | 98 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 136.7 | 166.2 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | G596 C598 A602 Y615 I616 R651 A652 | G596-C649 PolarHBondContact O-SG 3.16Å; C598-C649 PolarHBondContact O-SG 3.29Å; C598-C649 VanDerWaalsContact O-SG 3.36Å; A602-C649 HydrophobicContact CB-CB 4.07Å; Y615-C649 PolarHBondContact O-N 3.05Å; I616-C649 HydrophobicContact CG2-CB 4.49Å; C649-R651 PolarHBondContact O-N 3.01Å; C649-R651 VanDerWaalsContact O-N 3.13Å; C649-A652 HydrophobicContact CB-CB 4.22Å; C649-A652 WeakPolarHBondContact O-CB 3.43Å; C649-A652 PolarHBondContact O-N 2.84Å |
| 650 | E | 96.5 | Very high | 94 | Very high | 61 Ų | 61 | 45.6 Ų | 45.6 | 29% | 0.285 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -37.8 | -175.3 | 58.9 | -177.9 | 170.3 | 0 | 0 | 114.1 | E592 T593 G595 G596 R648 | E592-E650 HydrophobicContact CG-CB 4.2Å; T593-E650 WeakPolarHBondContact O-CB 3.31Å; T593-E650 PolarHBondContact O-N 3.34Å; G595-E650 PolarHBondContact N-OE1 2.96Å; G595-E650 VanDerWaalsContact N-OE1 3.11Å; G596-E650 WeakPolarHBondContact CA-OE1 3.35Å; G596-E650 PolarHBondContact N-OE1 3.12Å; R648-E650 PolarHBondContact NH1-O 2.95Å; R648-E650 PolarHBondContact NH2-O 3.17Å |
| 651 | R | 96.8 | Very high | 94.8 | Very high | 115 Ų | 115 | 43.5 Ų | 43.5 | 43% | 0.434 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 26 | 175.3 | -55.8 | -69.8 | -175.3 | 155.3 | -2 | 113.8 | G596 Y597 C649 N653 | G596-R651 VanDerWaalsContact O-CB 3.23Å; G596-R651 WeakPolarHBondContact O-CB 3.43Å; G596-R651 PolarHBondContact O-N 2.94Å; Y597-R651 HydrophobicContact CD1-CB 3.55Å; Y597-R651 HydrophobicContact CD1-CG 4.38Å; Y597-R651 HydrophobicContact CD2-CB 4.46Å; Y597-R651 HydrophobicContact CE1-CB 3.65Å; Y597-R651 HydrophobicContact CE1-CG 4.24Å; Y597-R651 HydrophobicContact CE2-CG 4.39Å; Y597-R651 HydrophobicContact CG-CB 3.99Å; C649-R651 PolarHBondContact O-N 3.01Å; C649-R651 VanDerWaalsContact O-N 3.13Å; R651-N653 PolarHBondContact O-N 2.8Å |
| 652 | A | 97 | Very high | 95.5 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 5% | 0.05 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -54.9 | -39.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | F621 R648 C649 | F621-A652 HydrophobicContact CE1-CB 4.02Å; F621-A652 HydrophobicContact CZ-CB 4.29Å; R648-A652 HydrophobicContact CG-CB 4.22Å; C649-A652 HydrophobicContact CB-CB 4.22Å; C649-A652 WeakPolarHBondContact O-CB 3.43Å; C649-A652 PolarHBondContact O-N 2.84Å |
| 653 | N | 96.9 | Very high | 96.2 | Very high | 44 Ų | 44 | 44.8 Ų | 44.8 | 24% | 0.235 | 21% | 0.211 | C | C | . | . | trans | -155.9 | 142.3 | 169 | -172 | -72.9 | 0 | 0 | 0 | 108.4 | F621 R648 R651 N655 Y656 | F621-N653 HydrophobicContact CE1-CB 4.1Å; F621-N653 HydrophobicContact CZ-CB 3.75Å; R648-N653 PolarHBondContact NH2-O 2.94Å; R651-N653 PolarHBondContact O-N 2.8Å; N653-N655 PolarHBondContact OD1-N 3.3Å; N653-Y656 HydrophobicContact CB-CD2 3.91Å; N653-Y656 HydrophobicContact CB-CG 4.24Å; N653-Y656 VanDerWaalsContact CG-CD2 3.4Å; N653-Y656 PolarHBondContact OD1-N 3.14Å | ||
| 654 | E | 94.4 | Very high | 96.6 | Very high | 148 Ų | 148 | 44.9 Ų | 44.9 | 69% | 0.692 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -70.8 | -39.2 | -178.6 | -174.1 | 169.3 | -156.6 | 0 | 0 | 112.6 | ||
| 655 | N | 96.3 | Very high | 96.8 | Very high | 125 Ų | 125 | 44.9 Ų | 44.9 | 67% | 0.668 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -87.3 | -37.1 | -178.1 | -64.1 | -48.9 | 0 | 0 | 0 | 112.1 | N653 T657 | N653-N655 PolarHBondContact OD1-N 3.3Å; N655-T657 PolarHBondContact O-N 3.1Å |
| 656 | Y | 96.2 | Very high | 96.9 | Very high | 58 Ų | 58 | 47 Ų | 47 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -85.3 | 68.8 | 178.5 | -45.4 | -36.5 | 0 | 0 | 0 | 110.6 | F621 V623 M626 R648 N653 F660 | F621-Y656 HydrophobicContact CD2-CD2 4.06Å; F621-Y656 AromaticContact CE2-CD2 3.66Å; F621-Y656 HydrophobicContact CE2-CD2 3.66Å; F621-Y656 HydrophobicContact CE2-CG 4.21Å; F621-Y656 HydrophobicContact CZ-CD2 4.21Å; F621-Y656 WeakPolarHBondContact O-CE2 3.25Å; V623-Y656 HydrophobicContact CG2-CE1 4.07Å; M626-Y656 HydrophobicContact CE-CD1 4Å; M626-Y656 HydrophobicContact CE-CD2 3.66Å; M626-Y656 HydrophobicContact CE-CE1 4.4Å; M626-Y656 HydrophobicContact CE-CE2 4.08Å; M626-Y656 HydrophobicContact CE-CG 3.62Å; R648-Y656 PolarHBondContact NE-O 3.48Å; R648-Y656 PolarHBondContact NH2-O 3.29Å; N653-Y656 HydrophobicContact CB-CD2 3.91Å; N653-Y656 HydrophobicContact CB-CG 4.24Å; N653-Y656 VanDerWaalsContact CG-CD2 3.4Å; N653-Y656 PolarHBondContact OD1-N 3.14Å; Y656-F660 AromaticContact CD1-CD1 4Å; Y656-F660 HydrophobicContact CD1-CD1 4Å; Y656-F660 AromaticContact CD1-CE1 3.78Å; Y656-F660 HydrophobicContact CD1-CE1 3.78Å; Y656-F660 HydrophobicContact CD1-CZ 4.45Å; Y656-F660 HydrophobicContact CE1-CE1 4.4Å; Y656-F660 HydrophobicContact CG-CD1 4.5Å; Y656-F660 HydrophobicContact CG-CE1 4.49Å |
| 657 | T | 96.6 | Very high | 96.9 | Very high | 58 Ų | 58 | 52.6 Ų | 52.6 | 36% | 0.356 | 25% | 0.254 | S | S | . | . | trans | -65.7 | 159 | 177.3 | 67.3 | 0 | 0 | 0 | 0 | 111.5 | N655 Q659 F660 I661 | N655-T657 PolarHBondContact O-N 3.1Å; T657-Q659 PolarHBondContact O-N 3.44Å; T657-Q659 VanDerWaalsContact O-N 3.15Å; T657-F660 WeakPolarHBondContact O-CB 3.33Å; T657-F660 PolarHBondContact O-N 2.98Å; T657-F660 WeakPolarHBondContact OG1-CB 3.27Å; T657-F660 PolarHBondContact OG1-N 3.16Å; T657-F660 VanDerWaalsContact OG1-N 3.08Å; T657-I661 WeakPolarHBondContact O-CG1 3.34Å; T657-I661 PolarHBondContact O-N 3.05Å | ||
| 658 | T | 97.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -53.2 | -36.5 | 173.5 | -65.5 | 0 | 0 | 0 | 0 | 112 | I590 E592 R648 M662 I677 | I590-T658 HydrophobicContact CG2-CG2 3.97Å; E592-T658 VanDerWaalsContact OE2-CB 3.3Å; E592-T658 WeakPolarHBondContact OE2-CB 3.34Å; E592-T658 PolarHBondContact OE2-OG1 2.91Å; R648-T658 WeakPolarHBondContact CD-OG1 3.29Å; R648-T658 PolarHBondContact NH1-OG1 3.44Å; T658-M662 WeakPolarHBondContact O-CB 3.4Å; T658-M662 PolarHBondContact O-N 3.22Å; T658-I677 HydrophobicContact CG2-CB 3.7Å; T658-I677 HydrophobicContact CG2-CD1 4.39Å; T658-I677 HydrophobicContact CG2-CG2 3.47Å; T658-I677 VanDerWaalsContact CG2-CG2 3.47Å |
| 659 | Q | 97.2 | Very high | 96.6 | Very high | 83 Ų | 83 | 56.9 Ų | 56.9 | 39% | 0.388 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.4 | -45.2 | 176.1 | -175.3 | 63.8 | 15.6 | 0 | 0 | 112.2 | T657 M662 Q663 | T657-Q659 PolarHBondContact O-N 3.44Å; T657-Q659 VanDerWaalsContact O-N 3.15Å; Q659-M662 VanDerWaalsContact NE2-CE 3.25Å; Q659-M662 WeakPolarHBondContact O-CB 3.35Å; Q659-M662 PolarHBondContact O-N 3.09Å; Q659-Q663 WeakPolarHBondContact O-CG 3.45Å; Q659-Q663 PolarHBondContact O-N 2.81Å |
| 660 | F | 97.5 | Very high | 96.3 | Very high | 68 Ų | 68 | 63.7 Ų | 63.7 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 176.7 | 174.1 | -94.1 | 0 | 0 | 0 | 111.3 | V623 M626 Y656 T657 M662 Q663 L664 | V623-F660 HydrophobicContact CG2-CZ 4.45Å; M626-F660 HydrophobicContact CE-CE1 4.09Å; M626-F660 HydrophobicContact SD-CE1 4.44Å; Y656-F660 AromaticContact CD1-CD1 4Å; Y656-F660 HydrophobicContact CD1-CD1 4Å; Y656-F660 AromaticContact CD1-CE1 3.78Å; Y656-F660 HydrophobicContact CD1-CE1 3.78Å; Y656-F660 HydrophobicContact CD1-CZ 4.45Å; Y656-F660 HydrophobicContact CE1-CE1 4.4Å; Y656-F660 HydrophobicContact CG-CD1 4.5Å; Y656-F660 HydrophobicContact CG-CE1 4.49Å; T657-F660 WeakPolarHBondContact O-CB 3.33Å; T657-F660 PolarHBondContact O-N 2.98Å; T657-F660 WeakPolarHBondContact OG1-CB 3.27Å; T657-F660 PolarHBondContact OG1-N 3.16Å; T657-F660 VanDerWaalsContact OG1-N 3.08Å; F660-M662 VanDerWaalsContact C-N 3.27Å; F660-M662 PolarHBondContact O-N 2.94Å; F660-Q663 PolarHBondContact O-N 2.97Å; F660-Q663 VanDerWaalsContact O-N 3.13Å; F660-L664 HydrophobicContact CE1-CD2 4.24Å; F660-L664 PolarHBondContact O-N 3.49Å |
| 661 | I | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 179.4 | -57.5 | 178 | 0 | 0 | 0 | 110.2 | I590 Y615 F621 M626 T657 Q663 L664 F665 | I590-I661 HydrophobicContact CD1-CB 3.91Å; I590-I661 HydrophobicContact CD1-CG2 3.5Å; I590-I661 HydrophobicContact CG1-CG2 4.37Å; Y615-I661 HydrophobicContact CD2-CD1 3.97Å; Y615-I661 HydrophobicContact CE2-CD1 4.14Å; Y615-I661 HydrophobicContact CE2-CG2 4.37Å; F621-I661 HydrophobicContact CE2-CD1 4.43Å; M626-I661 HydrophobicContact SD-CD1 4.32Å; M626-I661 HydrophobicContact SD-CG1 3.79Å; M626-I661 HydrophobicContact SD-CG2 4.34Å; T657-I661 WeakPolarHBondContact O-CG1 3.34Å; T657-I661 PolarHBondContact O-N 3.05Å; I661-Q663 PolarHBondContact O-N 3.04Å; I661-L664 PolarHBondContact O-N 3.47Å; I661-F665 HydrophobicContact CG2-CD1 3.68Å; I661-F665 HydrophobicContact CG2-CE1 3.58Å; I661-F665 HydrophobicContact CG2-CG 4.32Å; I661-F665 HydrophobicContact CG2-CZ 4.16Å; I661-F665 VanDerWaalsContact O-CB 3.3Å; I661-F665 WeakPolarHBondContact O-CB 3.43Å; I661-F665 WeakPolarHBondContact O-CD1 3.29Å; I661-F665 WeakPolarHBondContact O-CG 3.32Å; I661-F665 PolarHBondContact O-N 2.88Å |
| 662 | M | 97.2 | Very high | 95.7 | Very high | 33 Ų | 33 | 61.2 Ų | 61.2 | 16% | 0.163 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 175.3 | -175.6 | -167.2 | 68.6 | 0 | 0 | 112.3 | I590 T658 Q659 F660 S666 T675 I677 | I590-M662 HydrophobicContact CD1-CB 4.14Å; T658-M662 WeakPolarHBondContact O-CB 3.4Å; T658-M662 PolarHBondContact O-N 3.22Å; Q659-M662 VanDerWaalsContact NE2-CE 3.25Å; Q659-M662 WeakPolarHBondContact O-CB 3.35Å; Q659-M662 PolarHBondContact O-N 3.09Å; F660-M662 VanDerWaalsContact C-N 3.27Å; F660-M662 PolarHBondContact O-N 2.94Å; M662-S666 VanDerWaalsContact O-CB 3.24Å; M662-S666 WeakPolarHBondContact O-CB 3.4Å; M662-S666 PolarHBondContact O-N 3.32Å; M662-S666 PolarHBondContact O-OG 3.25Å; M662-T675 HydrophobicContact CB-CG2 4.46Å; M662-T675 HydrophobicContact CG-CG2 4.05Å; M662-I677 HydrophobicContact CB-CG2 3.52Å; M662-I677 HydrophobicContact CG-CG2 3.77Å; M662-I677 HydrophobicContact SD-CB 4.45Å; M662-I677 HydrophobicContact SD-CD1 4.37Å; M662-I677 HydrophobicContact SD-CG1 4.09Å; M662-I677 HydrophobicContact SD-CG2 3.68Å |
| 663 | Q | 97.6 | Very high | 95.5 | Very high | 108 Ų | 108 | 61.7 Ų | 61.7 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.6 | -49 | -179.9 | -72.9 | 171.1 | -26.2 | 0 | 0 | 110.8 | Q659 F660 I661 F665 S666 E667 | Q659-Q663 WeakPolarHBondContact O-CG 3.45Å; Q659-Q663 PolarHBondContact O-N 2.81Å; F660-Q663 PolarHBondContact O-N 2.97Å; F660-Q663 VanDerWaalsContact O-N 3.13Å; I661-Q663 PolarHBondContact O-N 3.04Å; Q663-F665 PolarHBondContact O-N 3.23Å; Q663-S666 PolarHBondContact O-N 2.91Å; Q663-E667 PolarHBondContact O-N 3.5Å |
| 664 | L | 97.1 | Very high | 95.4 | Very high | 26 Ų | 26 | 61.3 Ų | 61.3 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.2 | -50.9 | 176.4 | 178.9 | 66.1 | 0 | 0 | 0 | 111.3 | V623 M626 F660 I661 S666 E667 E668 | V623-L664 HydrophobicContact CG1-CD2 4.32Å; M626-L664 HydrophobicContact CB-CD2 3.76Å; M626-L664 HydrophobicContact CG-CD2 4.46Å; M626-L664 HydrophobicContact SD-CD2 3.89Å; F660-L664 HydrophobicContact CE1-CD2 4.24Å; F660-L664 PolarHBondContact O-N 3.49Å; I661-L664 PolarHBondContact O-N 3.47Å; L664-S666 VanDerWaalsContact C-N 3.29Å; L664-S666 PolarHBondContact O-N 2.92Å; L664-E667 PolarHBondContact O-N 2.82Å; L664-E668 HydrophobicContact CD1-CG 3.71Å; L664-E668 HydrophobicContact CG-CG 4.31Å; L664-E668 WeakPolarHBondContact O-CB 3.44Å; L664-E668 WeakPolarHBondContact O-CG 3.05Å; L664-E668 PolarHBondContact O-N 3.38Å |
| 665 | F | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.8 | -31 | -178 | -82 | 46.7 | 0 | 0 | 0 | 112.1 | V588 M626 D629 V630 I633 I646 I661 Q663 G669 F673 T675 | V588-F665 HydrophobicContact CG1-CD2 4.35Å; M626-F665 HydrophobicContact CB-CE1 3.92Å; M626-F665 HydrophobicContact CG-CE1 4.16Å; D629-F665 HydrophobicContact CB-CZ 4.16Å; V630-F665 HydrophobicContact CG2-CB 4.34Å; V630-F665 HydrophobicContact CG2-CD1 3.76Å; V630-F665 HydrophobicContact CG2-CD2 3.89Å; V630-F665 HydrophobicContact CG2-CE1 3.93Å; V630-F665 HydrophobicContact CG2-CE2 4.02Å; V630-F665 HydrophobicContact CG2-CG 3.73Å; V630-F665 HydrophobicContact CG2-CZ 4.04Å; I633-F665 HydrophobicContact CD1-CD2 3.96Å; I633-F665 HydrophobicContact CD1-CE2 3.55Å; I646-F665 HydrophobicContact CD1-CD2 4.18Å; I646-F665 HydrophobicContact CD1-CE2 3.37Å; I646-F665 HydrophobicContact CD1-CZ 3.99Å; I661-F665 HydrophobicContact CG2-CD1 3.68Å; I661-F665 HydrophobicContact CG2-CE1 3.58Å; I661-F665 HydrophobicContact CG2-CG 4.32Å; I661-F665 HydrophobicContact CG2-CZ 4.16Å; I661-F665 VanDerWaalsContact O-CB 3.3Å; I661-F665 WeakPolarHBondContact O-CB 3.43Å; I661-F665 WeakPolarHBondContact O-CD1 3.29Å; I661-F665 WeakPolarHBondContact O-CG 3.32Å; I661-F665 PolarHBondContact O-N 2.88Å; Q663-F665 PolarHBondContact O-N 3.23Å; F665-G669 VanDerWaalsContact O-CA 3.28Å; F665-G669 WeakPolarHBondContact O-CA 3.24Å; F665-G669 PolarHBondContact O-N 3.28Å; F665-F673 HydrophobicContact CB-CE2 4.47Å; F665-F673 WeakPolarHBondContact O-CE2 3.39Å; F665-T675 HydrophobicContact CB-CG2 4.01Å |
| 666 | S | 95.9 | Very high | 95.3 | Very high | 44 Ų | 44 | 54.1 Ų | 54.1 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.8 | -37.8 | 177.3 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | M662 Q663 L664 K670 | M662-S666 VanDerWaalsContact O-CB 3.24Å; M662-S666 WeakPolarHBondContact O-CB 3.4Å; M662-S666 PolarHBondContact O-N 3.32Å; M662-S666 PolarHBondContact O-OG 3.25Å; Q663-S666 PolarHBondContact O-N 2.91Å; L664-S666 VanDerWaalsContact C-N 3.29Å; L664-S666 PolarHBondContact O-N 2.92Å; S666-K670 PolarHBondContact O-N 3.32Å |
| 667 | E | 96.8 | Very high | 95.4 | Very high | 118 Ų | 118 | 53.8 Ų | 53.8 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -78.8 | -51.5 | 179 | -165 | 58.3 | -144.2 | 0 | 0 | 111.3 | Q663 L664 G669 K670 | Q663-E667 PolarHBondContact O-N 3.5Å; L664-E667 PolarHBondContact O-N 2.82Å; E667-G669 VanDerWaalsContact C-N 3.27Å; E667-G669 PolarHBondContact O-N 2.83Å; E667-K670 WeakPolarHBondContact O-CB 3.47Å; E667-K670 PolarHBondContact O-N 3.49Å; E667-K670 IonicContact OE1-NZ 2.9Å; E667-K670 PolarHBondContact OE1-NZ 2.85Å |
| 668 | E | 95.5 | Very high | 95.4 | Very high | 96 Ų | 96 | 53.5 Ų | 53.5 | 45% | 0.449 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.4 | -27.2 | -179.7 | -62.3 | -70.9 | 141.1 | 0 | 0 | 112.3 | V630 L664 | V630-E668 HydrophobicContact CB-CB 4.47Å; V630-E668 HydrophobicContact CG1-CB 3.86Å; V630-E668 HydrophobicContact CG2-CB 4.26Å; L664-E668 HydrophobicContact CD1-CG 3.71Å; L664-E668 HydrophobicContact CG-CG 4.31Å; L664-E668 WeakPolarHBondContact O-CB 3.44Å; L664-E668 WeakPolarHBondContact O-CG 3.05Å; L664-E668 PolarHBondContact O-N 3.38Å |
| 669 | G | 93.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F665 E667 G671 N672 F673 | F665-G669 VanDerWaalsContact O-CA 3.28Å; F665-G669 WeakPolarHBondContact O-CA 3.24Å; F665-G669 PolarHBondContact O-N 3.28Å; E667-G669 VanDerWaalsContact C-N 3.27Å; E667-G669 PolarHBondContact O-N 2.83Å; G669-G671 PolarHBondContact O-N 2.97Å; G669-N672 WeakPolarHBondContact O-CA 3.37Å; G669-N672 WeakPolarHBondContact O-CB 3.38Å; G669-N672 PolarHBondContact O-N 3.03Å; G669-F673 PolarHBondContact O-N 3.4Å; G669-F673 VanDerWaalsContact O-N 3.15Å |
| 670 | K | 91.2 | Very high | 95.4 | Very high | 143 Ų | 143 | 55.3 Ų | 55.3 | 62% | 0.622 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 133.5 | -172.2 | -167.1 | 173 | -174.1 | 171.9 | 0 | 111.8 | S666 E667 N672 | S666-K670 PolarHBondContact O-N 3.32Å; E667-K670 WeakPolarHBondContact O-CB 3.47Å; E667-K670 PolarHBondContact O-N 3.49Å; E667-K670 IonicContact OE1-NZ 2.9Å; E667-K670 PolarHBondContact OE1-NZ 2.85Å; K670-N672 PolarHBondContact O-N 3.38Å |
| 671 | G | 88.9 | Confident | 95.3 | Very high | 75 Ų | 75 | 53 Ų | 53 | 77% | 0.773 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -17.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G669 | G669-G671 PolarHBondContact O-N 2.97Š|
| 672 | N | 92.2 | Very high | 95.2 | Very high | 50 Ų | 50 | 59.4 Ų | 59.4 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -44 | 177.4 | -63.9 | -62.6 | 0 | 0 | 0 | 112.5 | R586 A634 G669 K670 | R586-N672 VanDerWaalsContact CD-O 3.28Å; R586-N672 WeakPolarHBondContact CD-O 3.4Å; A634-N672 HydrophobicContact CB-CB 4.11Å; G669-N672 WeakPolarHBondContact O-CA 3.37Å; G669-N672 WeakPolarHBondContact O-CB 3.38Å; G669-N672 PolarHBondContact O-N 3.03Å; K670-N672 PolarHBondContact O-N 3.38Å |
| 673 | F | 93.3 | Very high | 95.1 | Very high | 16 Ų | 16 | 60.4 Ų | 60.4 | 7% | 0.07 | 32% | 0.323 | C | S | . | . | trans | -155.5 | 167.2 | -178.9 | 56.1 | -100.7 | 0 | 0 | 0 | 112.2 | R586 V588 V630 I633 A634 F665 G669 | R586-F673 HydrophobicContact CB-CB 4.28Å; R586-F673 WeakPolarHBondContact O-CA 3.28Å; R586-F673 WeakPolarHBondContact O-CB 3.16Å; V588-F673 HydrophobicContact CB-CD2 4.23Å; V588-F673 HydrophobicContact CB-CE2 4.43Å; V588-F673 HydrophobicContact CG2-CB 4.29Å; V588-F673 HydrophobicContact CG2-CD1 4.45Å; V588-F673 HydrophobicContact CG2-CD2 3.3Å; V588-F673 HydrophobicContact CG2-CE2 3.58Å; V588-F673 HydrophobicContact CG2-CG 3.78Å; V588-F673 HydrophobicContact CG2-CZ 4.25Å; V630-F673 HydrophobicContact CB-CZ 4.48Å; V630-F673 HydrophobicContact CG1-CE1 4.3Å; V630-F673 HydrophobicContact CG1-CZ 3.94Å; V630-F673 HydrophobicContact CG2-CZ 4.44Å; I633-F673 HydrophobicContact CB-CD1 4.39Å; I633-F673 HydrophobicContact CB-CE1 3.81Å; I633-F673 HydrophobicContact CB-CZ 4.19Å; I633-F673 HydrophobicContact CD1-CZ 4.48Å; I633-F673 HydrophobicContact CG2-CD1 3.53Å; I633-F673 HydrophobicContact CG2-CE1 3.41Å; I633-F673 VanDerWaalsContact CG2-CE1 3.41Å; I633-F673 HydrophobicContact CG2-CE2 4.41Å; I633-F673 HydrophobicContact CG2-CG 4.08Å; I633-F673 HydrophobicContact CG2-CZ 3.87Å; A634-F673 HydrophobicContact CB-CE1 4.29Å; F665-F673 HydrophobicContact CB-CE2 4.47Å; F665-F673 WeakPolarHBondContact O-CE2 3.39Å; G669-F673 PolarHBondContact O-N 3.4Å; G669-F673 VanDerWaalsContact O-N 3.15Å | ||
| 674 | S | 93.5 | Very high | 95.1 | Very high | 36 Ų | 36 | 55.3 Ų | 55.3 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 147 | 170.7 | 60.2 | 0 | 0 | 0 | 0 | 111.1 | R586 R587 V588 | R586-S674 PolarHBondContact O-N 2.99Å; R587-S674 CarbonylContact C-O 3.6Å; R587-S674 WeakPolarHBondContact CA-O 3.39Å; R587-S674 PolarHBondContact NE-OG 3.33Å; V588-S674 PolarHBondContact N-O 3.24Å |
| 675 | T | 95.1 | Very high | 95 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139.1 | 179.6 | -50.6 | 0 | 0 | 0 | 0 | 111.4 | V588 I590 M662 F665 | V588-T675 HydrophobicContact CB-CG2 4.23Å; V588-T675 HydrophobicContact CG1-CG2 4.27Å; V588-T675 CarbonylContact O-C 3.52Å; V588-T675 WeakPolarHBondContact O-CA 3.25Å; I590-T675 HydrophobicContact CD1-CG2 3.72Å; I590-T675 HydrophobicContact CG1-CG2 4.14Å; M662-T675 HydrophobicContact CB-CG2 4.46Å; M662-T675 HydrophobicContact CG-CG2 4.05Å; F665-T675 HydrophobicContact CB-CG2 4.01Å |
| 676 | R | 95 | Very high | 94.6 | Very high | 120 Ų | 120 | 56.9 Ų | 56.9 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 151.4 | 175.8 | -68.2 | -64.8 | 178.7 | -94.2 | 5.9 | 110.5 | V588 F589 I590 | V588-R676 PolarHBondContact O-N 3.41Å; F589-R676 CarbonylContact C-O 3.56Å; F589-R676 WeakPolarHBondContact CA-O 3.35Å; F589-R676 HydrophobicContact CD1-CB 3.83Å; F589-R676 HydrophobicContact CE1-CB 3.89Å; F589-R676 HydrophobicContact CE1-CG 4.46Å; I590-R676 PolarHBondContact N-O 3.33Å |
| 677 | I | 96.6 | Very high | 94.3 | Very high | 52 Ų | 52 | 57.1 Ų | 57.1 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 147.7 | 177 | 61.1 | 172 | 0 | 0 | 0 | 110.5 | I590 T658 M662 | I590-I677 HydrophobicContact CB-CG2 4.27Å; I590-I677 HydrophobicContact CD1-CG2 4.45Å; I590-I677 CarbonylContact O-C 3.6Å; I590-I677 VanDerWaalsContact O-CA 3.31Å; I590-I677 WeakPolarHBondContact O-CA 3.22Å; T658-I677 HydrophobicContact CG2-CB 3.7Å; T658-I677 HydrophobicContact CG2-CD1 4.39Å; T658-I677 HydrophobicContact CG2-CG2 3.47Å; T658-I677 VanDerWaalsContact CG2-CG2 3.47Å; M662-I677 HydrophobicContact CB-CG2 3.52Å; M662-I677 HydrophobicContact CG-CG2 3.77Å; M662-I677 HydrophobicContact SD-CB 4.45Å; M662-I677 HydrophobicContact SD-CD1 4.37Å; M662-I677 HydrophobicContact SD-CG1 4.09Å; M662-I677 HydrophobicContact SD-CG2 3.68Å |
| 678 | N | 96.8 | Very high | 94.1 | Very high | 51 Ų | 51 | 55.3 Ų | 55.3 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 112.5 | 168 | -71.8 | -96.7 | 0 | 0 | 0 | 108.2 | I577 F589 I590 V591 E592 | I577-N678 HydrophobicContact CD1-CB 3.82Å; F589-N678 WeakPolarHBondContact CD1-ND2 3.35Å; I590-N678 PolarHBondContact O-N 2.91Å; V591-N678 CarbonylContact C-O 3.57Å; V591-N678 WeakPolarHBondContact CA-O 3.29Å; V591-N678 HydrophobicContact CG2-CB 4.48Å; E592-N678 PolarHBondContact N-O 3.28Å |
| 679 | I | 97.3 | Very high | 94.2 | Very high | 103 Ų | 103 | 50.9 Ų | 50.9 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 106.7 | 173.1 | -57.9 | 174.2 | 0 | 0 | 0 | 106.7 | E592 G681 | E592-I679 HydrophobicContact CB-CG1 4.19Å; E592-I679 HydrophobicContact CB-CG2 4.47Å; I679-G681 VanDerWaalsContact C-N 3.28Å; I679-G681 PolarHBondContact O-N 3.46Å |
| 680 | L | 97 | Very high | 94.4 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | trans | -68.3 | -32.6 | -174 | -56.3 | -175.6 | 0 | 0 | 0 | 111.6 | I570 L573 I577 V591 E592 S683 Q684 | I570-L680 HydrophobicContact CB-CD1 4.22Å; I570-L680 HydrophobicContact CG1-CD1 3.95Å; I570-L680 HydrophobicContact CG2-CD1 3.82Å; L573-L680 HydrophobicContact CB-CD2 4.02Å; L573-L680 HydrophobicContact CD1-CB 4.33Å; L573-L680 HydrophobicContact CD1-CD1 4.32Å; L573-L680 HydrophobicContact CD1-CD2 3.99Å; L573-L680 HydrophobicContact CD1-CG 4.44Å; I577-L680 HydrophobicContact CD1-CD2 4.49Å; V591-L680 HydrophobicContact CG1-CD1 3.76Å; V591-L680 HydrophobicContact CG1-CD2 3.81Å; V591-L680 HydrophobicContact CG1-CG 3.73Å; E592-L680 PolarHBondContact O-N 3.41Å; L680-S683 PolarHBondContact O-OG 3.3Å; L680-Q684 HydrophobicContact CB-CG 3.83Å; L680-Q684 HydrophobicContact CD1-CG 4.31Å | ||
| 681 | G | 96 | Very high | 94.7 | Very high | 21 Ų | 21 | 44.7 Ų | 44.7 | 22% | 0.216 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | 57.5 | -146.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I679 S683 Q684 | I679-G681 VanDerWaalsContact C-N 3.28Å; I679-G681 PolarHBondContact O-N 3.46Å; G681-S683 PolarHBondContact O-N 3.25Å; G681-S683 VanDerWaalsContact O-N 3.1Å; G681-Q684 WeakPolarHBondContact O-CG 3.41Å; G681-Q684 PolarHBondContact O-N 3.35Å; G681-Q684 PolarHBondContact O-NE2 3.15Å |
| 682 | H | 96.2 | Very high | 95 | Very high | 134 Ų | 134 | 43.6 Ų | 43.6 | 62% | 0.62 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -67.1 | -11 | -172.8 | -68 | 84.9 | 0 | 0 | 0 | 114.9 | Q684 Q685 | H682-Q684 PolarHBondContact O-N 2.98Å; H682-Q685 WeakPolarHBondContact O-CB 3.41Å; H682-Q685 PolarHBondContact O-N 2.88Å |
| 683 | S | 94.8 | Very high | 95.2 | Very high | 53 Ų | 53 | 41.2 Ų | 41.2 | 37% | 0.371 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -56.7 | -24.3 | 172.4 | 65.2 | 0 | 0 | 0 | 0 | 112.7 | L573 L680 G681 Q685 G686 | L573-S683 VanDerWaalsContact CD1-OG 3.28Å; L573-S683 WeakPolarHBondContact CD1-OG 3.47Å; L680-S683 PolarHBondContact O-OG 3.3Å; G681-S683 PolarHBondContact O-N 3.25Å; G681-S683 VanDerWaalsContact O-N 3.1Å; S683-Q685 PolarHBondContact O-N 3.23Å; S683-G686 PolarHBondContact O-N 3.25Å |
| 684 | Q | 97.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -67 | -16.1 | 175.9 | -63.2 | 172.8 | 86.5 | 0 | 0 | 113.8 | I550 A566 I570 T593 M594 L680 G681 H682 G686 | I550-Q684 HydrophobicContact CD1-CB 4.33Å; A566-Q684 WeakPolarHBondContact CA-O 3.44Å; A566-Q684 WeakPolarHBondContact CB-O 3.37Å; I570-Q684 HydrophobicContact CD1-CG 4.24Å; I570-Q684 HydrophobicContact CG1-CB 4.45Å; I570-Q684 HydrophobicContact CG1-CG 3.74Å; T593-Q684 VanDerWaalsContact CA-OE1 3.25Å; M594-Q684 VanDerWaalsContact CG-NE2 3.3Å; M594-Q684 VanDerWaalsContact N-NE2 3.1Å; L680-Q684 HydrophobicContact CB-CG 3.83Å; L680-Q684 HydrophobicContact CD1-CG 4.31Å; G681-Q684 WeakPolarHBondContact O-CG 3.41Å; G681-Q684 PolarHBondContact O-N 3.35Å; G681-Q684 PolarHBondContact O-NE2 3.15Å; H682-Q684 PolarHBondContact O-N 2.98Å; Q684-G686 PolarHBondContact O-N 3.28Å |
| 685 | Q | 95.4 | Very high | 95.5 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 16% | 0.159 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -73.5 | -12.8 | 175.7 | -70.3 | 177.1 | -17.5 | 0 | 0 | 113 | C434 I550 H682 S683 | C434-Q685 PolarHBondContact SG-O 3.14Å; I550-Q685 HydrophobicContact CD1-CG 4.22Å; H682-Q685 WeakPolarHBondContact O-CB 3.41Å; H682-Q685 PolarHBondContact O-N 2.88Å; S683-Q685 PolarHBondContact O-N 3.23Å |
| 686 | G | 89.7 | Confident | 95.4 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 26% | 0.258 | 23% | 0.227 | S | C | . | . | trans | 78.5 | 162.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S683 Q684 | S683-G686 PolarHBondContact O-N 3.25Å; Q684-G686 PolarHBondContact O-N 3.28Å | ||
| 687 | G | 89 | Confident | 95.5 | Very high | 49 Ų | 49 | 34.2 Ų | 34.2 | 51% | 0.505 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -101.4 | -68.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | G484 | G484-G687 WeakPolarHBondContact CA-O 3.31Å; G484-G687 PolarHBondContact N-O 3.28Å |
| 688 | C | 92.6 | Very high | 95.4 | Very high | 81 Ų | 81 | 31.7 Ų | 31.7 | 55% | 0.547 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -97 | 132.3 | 174.6 | -57.2 | 0 | 0 | 0 | 0 | 109.7 | ||
| 689 | P | 96.7 | Very high | 95.2 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.019 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 143.9 | 177.3 | 25.5 | -26.9 | 0 | 0 | 0 | 110.4 | C434 S481 M482 R694 | C434-P689 HydrophobicContact CB-CB 3.7Å; S481-P689 WeakPolarHBondContact O-CG 3.38Å; M482-P689 WeakPolarHBondContact O-CD 3.38Å; P689-R694 HydrophobicContact CB-CG 3.87Å; P689-R694 HydrophobicContact CG-CG 3.68Å; P689-R694 PolarHBondContact O-NE 3.45Å; P689-R694 PolarHBondContact O-NH2 3.08Å; P689-R694 VanDerWaalsContact O-NH2 3.16Å |
| 690 | T | 97.8 | Very high | 95 | Very high | 10 Ų | 10 | 26.9 Ų | 26.9 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 157 | 175.8 | 61 | 0 | 0 | 0 | 0 | 111.3 | H199 D564 S565 N568 F692 D693 R694 | H199-T690 VanDerWaalsContact CE1-CG2 3.41Å; H199-T690 WeakPolarHBondContact CE1-CG2 3.5Å; D564-T690 WeakPolarHBondContact OD2-CB 3.47Å; D564-T690 WeakPolarHBondContact OD2-CG2 3.23Å; D564-T690 PolarHBondContact OD2-OG1 2.75Å; S565-T690 PolarHBondContact OG-N 2.93Å; S565-T690 VanDerWaalsContact OG-N 3.12Å; S565-T690 PolarHBondContact OG-OG1 3.34Å; N568-T690 HydrophobicContact CB-CG2 4.19Å; T690-F692 PolarHBondContact O-N 2.91Å; T690-D693 PolarHBondContact O-N 3.22Å; T690-D693 PolarHBondContact OG1-N 2.97Å; T690-R694 WeakPolarHBondContact O-CG 3.32Å; T690-R694 PolarHBondContact O-N 3.35Å |
| 691 | P | 97.1 | Very high | 95 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -53.2 | -38.4 | 173.8 | -19 | 27.3 | 0 | 0 | 0 | 112.2 | L198 H199 I202 R694 N695 | L198-P691 HydrophobicContact CB-CB 3.87Å; L198-P691 HydrophobicContact CB-CG 3.97Å; L198-P691 WeakPolarHBondContact O-CG 3.22Å; H199-P691 HydrophobicContact CB-CG 4.39Å; H199-P691 VanDerWaalsContact CD2-CD 3.42Å; H199-P691 WeakPolarHBondContact CD2-CD 3.42Å; I202-P691 HydrophobicContact CB-CG 4.04Å; I202-P691 HydrophobicContact CG1-CB 3.9Å; I202-P691 HydrophobicContact CG1-CG 3.74Å; P691-R694 PolarHBondContact O-N 2.95Å; P691-N695 VanDerWaalsContact O-CB 3.29Å; P691-N695 WeakPolarHBondContact O-CB 3.44Å; P691-N695 PolarHBondContact O-N 3.41Å |
| 692 | F | 95.7 | Very high | 94.9 | Very high | 52 Ų | 52 | 25.1 Ų | 25.1 | 23% | 0.228 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.3 | -54.6 | 176.8 | -175.9 | -88.3 | 0 | 0 | 0 | 111.5 | I559 D564 T690 R694 N695 L696 | I559-F692 HydrophobicContact CD1-CE1 3.52Å; I559-F692 HydrophobicContact CD1-CZ 3.78Å; I559-F692 HydrophobicContact CG1-CE1 4.38Å; D564-F692 HydrophobicContact CB-CB 4.43Å; D564-F692 HydrophobicContact CB-CD1 3.71Å; D564-F692 HydrophobicContact CB-CE1 4.42Å; D564-F692 HydrophobicContact CB-CG 4.35Å; T690-F692 PolarHBondContact O-N 2.91Å; F692-R694 VanDerWaalsContact C-N 3.34Å; F692-R694 PolarHBondContact O-N 2.98Å; F692-N695 PolarHBondContact O-N 2.82Å; F692-L696 HydrophobicContact CE1-CB 4.37Å; F692-L696 HydrophobicContact CE1-CD2 3.73Å; F692-L696 HydrophobicContact CZ-CD2 4.3Å; F692-L696 VanDerWaalsContact O-CB 3.24Å; F692-L696 WeakPolarHBondContact O-CB 3.31Å; F692-L696 PolarHBondContact O-N 3.11Å |
| 693 | D | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.6 | -36.5 | -179.8 | -82.8 | -34.8 | 0 | 0 | 0 | 112.4 | G562 S565 T690 A697 | G562-D693 WeakPolarHBondContact CA-OD2 3.47Å; G562-D693 PolarHBondContact N-OD1 3.18Å; G562-D693 PolarHBondContact N-OD2 3.42Å; S565-D693 WeakPolarHBondContact CB-OD2 3.37Å; S565-D693 PolarHBondContact N-OD2 2.99Å; S565-D693 PolarHBondContact OG-OD2 3Å; T690-D693 PolarHBondContact O-N 3.22Å; T690-D693 PolarHBondContact OG1-N 2.97Å; D693-A697 WeakPolarHBondContact O-CB 3.32Å; D693-A697 PolarHBondContact O-N 3.03Å |
| 694 | R | 96.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.5 | -49.5 | 173.8 | -68.4 | -172.8 | -152.8 | -165.6 | 0.2 | 111.4 | D206 A238 S481 P689 T690 P691 F692 T698 | D206-R694 IonicContact OD1-CZ 3.93Å; D206-R694 IonicContact OD1-NH1 3.62Å; D206-R694 PolarHBondContact OD1-NH1 3.45Å; D206-R694 IonicContact OD1-NH2 3.17Å; D206-R694 IonicContact OD2-CZ 2.6Å; D206-R694 IonicContact OD2-NH1 3.24Å; D206-R694 PolarHBondContact OD2-NH1 2.87Å; D206-R694 IonicContact OD2-NH2 3.22Å; D206-R694 PolarHBondContact OD2-NH2 3.34Å; A238-R694 HydrophobicContact CB-CB 3.86Å; A238-R694 WeakPolarHBondContact O-CD 3.46Å; S481-R694 WeakPolarHBondContact O-CD 3.09Å; S481-R694 WeakPolarHBondContact O-CG 3.23Å; P689-R694 HydrophobicContact CB-CG 3.87Å; P689-R694 HydrophobicContact CG-CG 3.68Å; P689-R694 PolarHBondContact O-NE 3.45Å; P689-R694 PolarHBondContact O-NH2 3.08Å; P689-R694 VanDerWaalsContact O-NH2 3.16Å; T690-R694 WeakPolarHBondContact O-CG 3.32Å; T690-R694 PolarHBondContact O-N 3.35Å; P691-R694 PolarHBondContact O-N 2.95Å; F692-R694 VanDerWaalsContact C-N 3.34Å; F692-R694 PolarHBondContact O-N 2.98Å; R694-T698 VanDerWaalsContact O-CB 3.25Å; R694-T698 WeakPolarHBondContact O-CB 3.47Å; R694-T698 PolarHBondContact O-N 2.98Å; R694-T698 PolarHBondContact O-OG1 3.43Å |
| 695 | N | 94.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 17.8 Ų | 17.8 | 7% | 0.07 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.7 | -45.1 | -179 | -178.7 | -87.4 | 0 | 0 | 0 | 111.4 | V234 L237 N397 P691 F692 T698 R699 | V234-N695 HydrophobicContact CG1-CB 4.29Å; L237-N695 WeakPolarHBondContact CD1-ND2 3.1Å; N397-N695 PolarHBondContact OD1-ND2 3.39Å; N397-N695 PolarHBondContact OD1-OD1 2.81Å; P691-N695 VanDerWaalsContact O-CB 3.29Å; P691-N695 WeakPolarHBondContact O-CB 3.44Å; P691-N695 PolarHBondContact O-N 3.41Å; F692-N695 PolarHBondContact O-N 2.82Å; N695-T698 PolarHBondContact O-N 3.37Å; N695-R699 WeakPolarHBondContact O-CB 3.4Å; N695-R699 WeakPolarHBondContact O-CG 3.21Å; N695-R699 PolarHBondContact O-N 3.39Å; N695-R699 WeakPolarHBondContact OD1-CD 3.38Å |
| 696 | L | 94.1 | Very high | 94.6 | Very high | 10 Ų | 10 | 20 Ų | 20 | 5% | 0.052 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.1 | -51.5 | 179.6 | -178.5 | 63.1 | 0 | 0 | 0 | 111 | I559 I561 F692 T698 R699 M700 I735 | I559-L696 HydrophobicContact CG2-CD2 4.27Å; I561-L696 HydrophobicContact CG1-CB 4.43Å; I561-L696 HydrophobicContact CG1-CD2 3.77Å; I561-L696 HydrophobicContact CG1-CG 3.83Å; F692-L696 HydrophobicContact CE1-CB 4.37Å; F692-L696 HydrophobicContact CE1-CD2 3.73Å; F692-L696 HydrophobicContact CZ-CD2 4.3Å; F692-L696 VanDerWaalsContact O-CB 3.24Å; F692-L696 WeakPolarHBondContact O-CB 3.31Å; F692-L696 PolarHBondContact O-N 3.11Å; L696-T698 VanDerWaalsContact C-N 3.28Å; L696-T698 PolarHBondContact O-N 2.78Å; L696-R699 PolarHBondContact O-N 2.86Å; L696-M700 HydrophobicContact CD1-CG 3.84Å; L696-M700 HydrophobicContact CD1-SD 3.44Å; L696-M700 WeakPolarHBondContact CD1-SD 3.33Å; L696-M700 HydrophobicContact CD2-SD 4.37Å; L696-M700 HydrophobicContact CG-CG 4.36Å; L696-M700 HydrophobicContact CG-SD 3.76Å; L696-M700 WeakPolarHBondContact O-CB 3.35Å; L696-M700 WeakPolarHBondContact O-CG 3.44Å; L696-M700 PolarHBondContact O-N 2.9Å; L696-I735 HydrophobicContact CD1-CD1 3.6Å |
| 697 | A | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G435 A438 A439 I561 D693 A701 | G435-A697 WeakPolarHBondContact O-CB 3.49Å; A438-A697 HydrophobicContact CB-CB 3.87Å; A439-A697 HydrophobicContact CB-CB 4.12Å; I561-A697 HydrophobicContact CD1-CB 3.99Å; I561-A697 HydrophobicContact CG1-CB 4.33Å; I561-A697 HydrophobicContact CG2-CB 3.9Å; D693-A697 WeakPolarHBondContact O-CB 3.32Å; D693-A697 PolarHBondContact O-N 3.03Å; A697-A701 WeakPolarHBondContact O-CB 3.32Å; A697-A701 PolarHBondContact O-N 3.18Å |
| 698 | T | 94.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.3 | -49.5 | 180 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | T400 L404 S442 R694 N695 L696 A702 | T400-T698 HydrophobicContact CG2-CG2 4.3Å; L404-T698 HydrophobicContact CD1-CG2 3.18Å; S442-T698 WeakPolarHBondContact CB-O 3.49Å; S442-T698 PolarHBondContact OG-O 3.21Å; R694-T698 VanDerWaalsContact O-CB 3.25Å; R694-T698 WeakPolarHBondContact O-CB 3.47Å; R694-T698 PolarHBondContact O-N 2.98Å; R694-T698 PolarHBondContact O-OG1 3.43Å; N695-T698 PolarHBondContact O-N 3.37Å; L696-T698 VanDerWaalsContact C-N 3.28Å; L696-T698 PolarHBondContact O-N 2.78Å; T698-A702 WeakPolarHBondContact O-CB 3.33Å; T698-A702 PolarHBondContact O-N 3.09Å; T698-A702 VanDerWaalsContact O-N 3.08Å |
| 699 | R | 91.9 | Very high | 95.4 | Very high | 48 Ų | 48 | 13.8 Ų | 13.8 | 18% | 0.181 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.6 | -43.2 | -178.7 | -73.6 | 168.3 | 59.9 | -168.3 | -8 | 113.1 | N397 T400 N695 L696 A702 Q703 | N397-R699 WeakPolarHBondContact OD1-CD 3.27Å; T400-R699 HydrophobicContact CG2-CG 4.34Å; N695-R699 WeakPolarHBondContact O-CB 3.4Å; N695-R699 WeakPolarHBondContact O-CG 3.21Å; N695-R699 PolarHBondContact O-N 3.39Å; N695-R699 WeakPolarHBondContact OD1-CD 3.38Å; L696-R699 PolarHBondContact O-N 2.86Å; R699-A702 PolarHBondContact O-N 2.86Å; R699-Q703 PolarHBondContact O-N 3.47Å; R699-Q703 VanDerWaalsContact O-N 3.14Å |
| 700 | M | 94.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 15.4 Ų | 15.4 | 3% | 0.025 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -71 | -39 | -177.7 | -66.1 | -175.2 | 77.7 | 0 | 0 | 110.8 | L546 I561 L696 A702 Q703 A704 L733 I735 | L546-M700 HydrophobicContact CD1-CB 3.47Å; L546-M700 VanDerWaalsContact CD1-CB 3.47Å; L546-M700 HydrophobicContact CD1-CE 3.65Å; L546-M700 HydrophobicContact CD1-CG 4.28Å; L546-M700 HydrophobicContact CD1-SD 3.9Å; L546-M700 HydrophobicContact CD2-CB 4.33Å; I561-M700 HydrophobicContact CD1-SD 4.31Å; L696-M700 HydrophobicContact CD1-CG 3.84Å; L696-M700 HydrophobicContact CD1-SD 3.44Å; L696-M700 WeakPolarHBondContact CD1-SD 3.33Å; L696-M700 HydrophobicContact CD2-SD 4.37Å; L696-M700 HydrophobicContact CG-CG 4.36Å; L696-M700 HydrophobicContact CG-SD 3.76Å; L696-M700 WeakPolarHBondContact O-CB 3.35Å; L696-M700 WeakPolarHBondContact O-CG 3.44Å; L696-M700 PolarHBondContact O-N 2.9Å; M700-A702 VanDerWaalsContact C-N 3.34Å; M700-A702 PolarHBondContact O-N 2.78Å; M700-Q703 PolarHBondContact O-N 2.85Å; M700-A704 WeakPolarHBondContact O-CB 3.46Å; M700-A704 PolarHBondContact O-N 2.92Å; M700-L733 HydrophobicContact CB-CD2 4.28Å; M700-L733 HydrophobicContact CE-CG 3.98Å; M700-L733 WeakPolarHBondContact CE-O 3.33Å; M700-L733 WeakPolarHBondContact O-CD2 3.38Å; M700-I735 HydrophobicContact CE-CG1 4.36Å; M700-I735 HydrophobicContact SD-CD1 4.39Å; M700-I735 HydrophobicContact SD-CG1 4.48Å |
| 701 | A | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.2 | -31.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A439 F443 F515 L546 A697 A704 A705 | A439-A701 HydrophobicContact CB-CB 4.03Å; A439-A701 WeakPolarHBondContact O-CB 3.2Å; F443-A701 HydrophobicContact CB-CB 4.25Å; F515-A701 HydrophobicContact CE1-CB 4.19Å; F515-A701 HydrophobicContact CZ-CB 4.18Å; L546-A701 HydrophobicContact CD2-CB 4.27Å; A697-A701 WeakPolarHBondContact O-CB 3.32Å; A697-A701 PolarHBondContact O-N 3.18Å; A701-A704 PolarHBondContact O-N 3.2Å; A701-A705 PolarHBondContact O-N 3.09Å |
| 702 | A | 92.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 3% | 0.033 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.3 | -48.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111 | T400 S442 N446 T698 R699 M700 A704 A705 E706 | T400-A702 HydrophobicContact CG2-CB 4.36Å; S442-A702 PolarHBondContact OG-N 3.28Å; N446-A702 WeakPolarHBondContact ND2-CB 3.44Å; T698-A702 WeakPolarHBondContact O-CB 3.33Å; T698-A702 PolarHBondContact O-N 3.09Å; T698-A702 VanDerWaalsContact O-N 3.08Å; R699-A702 PolarHBondContact O-N 2.86Å; M700-A702 VanDerWaalsContact C-N 3.34Å; M700-A702 PolarHBondContact O-N 2.78Å; A702-A704 VanDerWaalsContact C-N 3.29Å; A702-A704 PolarHBondContact O-N 3.13Å; A702-A705 WeakPolarHBondContact O-CB 3.3Å; A702-A705 PolarHBondContact O-N 3.3Å; A702-E706 PolarHBondContact O-N 3.4Å; A702-E706 VanDerWaalsContact O-N 3.1Å |
| 703 | Q | 93 | Very high | 95.2 | Very high | 34 Ų | 34 | 19.5 Ų | 19.5 | 16% | 0.159 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.2 | -36.1 | 174.7 | -179.6 | -177.3 | -6.2 | 0 | 0 | 112.2 | R699 M700 A705 E706 T707 L733 S740 | R699-Q703 PolarHBondContact O-N 3.47Å; R699-Q703 VanDerWaalsContact O-N 3.14Å; M700-Q703 PolarHBondContact O-N 2.85Å; Q703-A705 VanDerWaalsContact C-N 3.34Å; Q703-E706 PolarHBondContact O-N 2.75Å; Q703-T707 WeakPolarHBondContact O-CB 3.25Å; Q703-T707 PolarHBondContact O-N 2.73Å; Q703-T707 PolarHBondContact O-OG1 3.36Å; Q703-L733 HydrophobicContact CB-CD2 3.97Å; Q703-L733 HydrophobicContact CG-CD1 4.35Å; Q703-L733 HydrophobicContact CG-CD2 3.98Å; Q703-S740 VanDerWaalsContact OE1-CB 3.24Å; Q703-S740 PolarHBondContact OE1-OG 3.27Å |
| 704 | A | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F515 V544 M700 A701 A702 T707 L708 L733 | F515-A704 HydrophobicContact CD2-CB 3.95Å; F515-A704 HydrophobicContact CE2-CB 3.35Å; F515-A704 HydrophobicContact CZ-CB 3.69Å; V544-A704 HydrophobicContact CG1-CB 3.82Å; M700-A704 WeakPolarHBondContact O-CB 3.46Å; M700-A704 PolarHBondContact O-N 2.92Å; A701-A704 PolarHBondContact O-N 3.2Å; A702-A704 VanDerWaalsContact C-N 3.29Å; A702-A704 PolarHBondContact O-N 3.13Å; A704-T707 PolarHBondContact O-N 2.97Å; A704-L708 PolarHBondContact O-N 2.82Å; A704-L733 HydrophobicContact CB-CD2 4.06Å |
| 705 | A | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.9 | -49.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F443 N446 A701 A702 Q703 T707 L708 V709 | F443-A705 HydrophobicContact CD2-CB 3.74Å; F443-A705 HydrophobicContact CE2-CB 3.96Å; N446-A705 HydrophobicContact CB-CB 3.61Å; A701-A705 PolarHBondContact O-N 3.09Å; A702-A705 WeakPolarHBondContact O-CB 3.3Å; A702-A705 PolarHBondContact O-N 3.3Å; Q703-A705 VanDerWaalsContact C-N 3.34Å; A705-T707 VanDerWaalsContact C-N 3.29Å; A705-T707 PolarHBondContact O-N 2.98Å; A705-L708 PolarHBondContact O-N 3.45Å; A705-V709 VanDerWaalsContact O-CG2 3.3Å; A705-V709 WeakPolarHBondContact O-CG2 3.3Å; A705-V709 PolarHBondContact O-N 3.38Å |
| 706 | E | 92.9 | Very high | 95 | Very high | 80 Ų | 80 | 26.4 Ų | 26.4 | 37% | 0.374 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -59.3 | -41 | 176.3 | -68 | 177.3 | 176.9 | 0 | 0 | 111.9 | L416 A702 Q703 V709 S710 | L416-E706 HydrophobicContact CD1-CB 4.31Å; L416-E706 HydrophobicContact CD1-CG 3.9Å; A702-E706 PolarHBondContact O-N 3.4Å; A702-E706 VanDerWaalsContact O-N 3.1Å; Q703-E706 PolarHBondContact O-N 2.75Å; E706-V709 PolarHBondContact O-N 3.04Å; E706-S710 WeakPolarHBondContact O-CB 3.21Å; E706-S710 PolarHBondContact O-N 3.15Å |
| 707 | T | 95.5 | Very high | 95 | Very high | 25 Ų | 25 | 29.2 Ų | 29.2 | 15% | 0.153 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.1 | -47.6 | 177.5 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | V544 Q703 A704 A705 S710 K711 | V544-T707 HydrophobicContact CG2-CG2 4Å; Q703-T707 WeakPolarHBondContact O-CB 3.25Å; Q703-T707 PolarHBondContact O-N 2.73Å; Q703-T707 PolarHBondContact O-OG1 3.36Å; A704-T707 PolarHBondContact O-N 2.97Å; A705-T707 VanDerWaalsContact C-N 3.29Å; A705-T707 PolarHBondContact O-N 2.98Å; T707-S710 PolarHBondContact O-N 3.34Å; T707-K711 HydrophobicContact CG2-CG 4.41Å; T707-K711 WeakPolarHBondContact O-CB 3.44Å; T707-K711 WeakPolarHBondContact O-CG 3.19Å; T707-K711 PolarHBondContact O-N 2.76Å |
| 708 | L | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 177.3 | -81.5 | 178.4 | 0 | 0 | 0 | 111.7 | F424 F443 F515 P542 V544 A704 A705 K711 A712 | F424-L708 HydrophobicContact CE1-CB 4.44Å; F424-L708 HydrophobicContact CE2-CB 4.14Å; F424-L708 HydrophobicContact CZ-CB 4.07Å; F443-L708 HydrophobicContact CE2-CD1 3.69Å; F443-L708 HydrophobicContact CZ-CD1 3.82Å; F515-L708 HydrophobicContact CB-CD1 3.91Å; P542-L708 HydrophobicContact CB-CD2 3.68Å; P542-L708 WeakPolarHBondContact O-CD2 3.36Å; V544-L708 HydrophobicContact CB-CD2 4.43Å; V544-L708 HydrophobicContact CB-CG 4.26Å; V544-L708 HydrophobicContact CG2-CD2 3.76Å; V544-L708 HydrophobicContact CG2-CG 3.7Å; A704-L708 PolarHBondContact O-N 2.82Å; A705-L708 PolarHBondContact O-N 3.45Å; L708-K711 PolarHBondContact O-N 3.49Å; L708-A712 WeakPolarHBondContact O-CB 3.38Å; L708-A712 PolarHBondContact O-N 2.87Å |
| 709 | V | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62 | -47 | 176.6 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | L416 F424 H450 A705 E706 R713 | L416-V709 HydrophobicContact CB-CG1 3.8Å; F424-V709 HydrophobicContact CE2-CG2 3.7Å; F424-V709 HydrophobicContact CZ-CG2 4.19Å; H450-V709 HydrophobicContact CB-CG1 4.47Å; H450-V709 HydrophobicContact CB-CG2 4.04Å; A705-V709 VanDerWaalsContact O-CG2 3.3Å; A705-V709 WeakPolarHBondContact O-CG2 3.3Å; A705-V709 PolarHBondContact O-N 3.38Å; E706-V709 PolarHBondContact O-N 3.04Å; V709-R713 WeakPolarHBondContact O-CB 3.35Å; V709-R713 PolarHBondContact O-N 2.75Å |
| 710 | S | 94.6 | Very high | 94.2 | Very high | 37 Ų | 37 | 41.5 Ų | 41.5 | 26% | 0.259 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.5 | -49.3 | 178.8 | -165.1 | 0 | 0 | 0 | 0 | 111.2 | E706 T707 A712 R713 E714 | E706-S710 WeakPolarHBondContact O-CB 3.21Å; E706-S710 PolarHBondContact O-N 3.15Å; T707-S710 PolarHBondContact O-N 3.34Å; S710-A712 PolarHBondContact O-N 3.07Å; S710-R713 WeakPolarHBondContact O-CB 3.33Å; S710-R713 PolarHBondContact O-N 3.47Å; S710-E714 WeakPolarHBondContact O-CG 3.33Å; S710-E714 PolarHBondContact O-N 2.82Å; S710-E714 PolarHBondContact OG-OE1 2.86Å |
| 711 | K | 96.5 | Very high | 94.1 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 17% | 0.17 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.6 | -36.4 | -178.4 | -70.1 | -66.9 | 170.6 | -162.2 | 0 | 112.7 | P542 T707 L708 E714 S715 D728 | P542-K711 HydrophobicContact CB-CB 3.84Å; P542-K711 HydrophobicContact CG-CB 3.84Å; T707-K711 HydrophobicContact CG2-CG 4.41Å; T707-K711 WeakPolarHBondContact O-CB 3.44Å; T707-K711 WeakPolarHBondContact O-CG 3.19Å; T707-K711 PolarHBondContact O-N 2.76Å; L708-K711 PolarHBondContact O-N 3.49Å; K711-E714 WeakPolarHBondContact CD-OE2 3.35Å; K711-E714 IonicContact NZ-OE2 3.58Å; K711-E714 PolarHBondContact NZ-OE2 3.43Å; K711-E714 PolarHBondContact O-N 3.01Å; K711-S715 VanDerWaalsContact O-CB 3.23Å; K711-S715 WeakPolarHBondContact O-CB 3.37Å; K711-S715 PolarHBondContact O-N 3.32Å; K711-S715 PolarHBondContact O-OG 2.77Å; K711-D728 IonicContact NZ-OD2 2.83Å; K711-D728 PolarHBondContact NZ-OD2 2.85Å |
| 712 | A | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F422 F424 P542 L708 S710 E714 S715 V716 V722 | F422-A712 HydrophobicContact CD1-CB 3.88Å; F422-A712 HydrophobicContact CD2-CB 3.95Å; F422-A712 HydrophobicContact CE1-CB 3.89Å; F422-A712 HydrophobicContact CE2-CB 3.95Å; F422-A712 HydrophobicContact CG-CB 3.92Å; F422-A712 HydrophobicContact CZ-CB 3.93Å; F424-A712 HydrophobicContact CE1-CB 4Å; F424-A712 HydrophobicContact CZ-CB 4.03Å; P542-A712 HydrophobicContact CG-CB 4.41Å; L708-A712 WeakPolarHBondContact O-CB 3.38Å; L708-A712 PolarHBondContact O-N 2.87Å; S710-A712 PolarHBondContact O-N 3.07Å; A712-E714 PolarHBondContact O-N 2.9Å; A712-S715 CarbonylContact O-C 3.5Å; A712-S715 WeakPolarHBondContact O-CA 3.46Å; A712-S715 PolarHBondContact O-N 3.5Å; A712-V716 WeakPolarHBondContact O-CG2 3.42Å; A712-V716 PolarHBondContact O-N 3.13Å; A712-V722 HydrophobicContact CB-CG1 4.48Å; A712-V722 HydrophobicContact CB-CG2 4.36Å |
| 713 | R | 94.2 | Very high | 94.3 | Very high | 112 Ų | 112 | 46.9 Ų | 46.9 | 42% | 0.423 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 176.8 | -167.9 | -175.3 | 73.5 | -172.9 | 6.4 | 113 | L416 F422 V709 S710 S715 | L416-R713 PolarHBondContact O-NH1 3.41Å; F422-R713 HydrophobicContact CE2-CB 4.33Å; F422-R713 HydrophobicContact CZ-CB 4.14Å; V709-R713 WeakPolarHBondContact O-CB 3.35Å; V709-R713 PolarHBondContact O-N 2.75Å; S710-R713 WeakPolarHBondContact O-CB 3.33Å; S710-R713 PolarHBondContact O-N 3.47Å; R713-S715 PolarHBondContact O-N 3.11Å |
| 714 | E | 94.7 | Very high | 94.4 | Very high | 111 Ų | 111 | 46 Ų | 46 | 52% | 0.519 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.8 | -21.1 | 174.7 | -72.5 | 160.4 | -142 | 0 | 0 | 112.9 | S710 K711 A712 | S710-E714 WeakPolarHBondContact O-CG 3.33Å; S710-E714 PolarHBondContact O-N 2.82Å; S710-E714 PolarHBondContact OG-OE1 2.86Å; K711-E714 WeakPolarHBondContact CD-OE2 3.35Å; K711-E714 IonicContact NZ-OE2 3.58Å; K711-E714 PolarHBondContact NZ-OE2 3.43Å; K711-E714 PolarHBondContact O-N 3.01Å; A712-E714 PolarHBondContact O-N 2.9Å |
| 715 | S | 95.9 | Very high | 94.4 | Very high | 10 Ų | 10 | 49.9 Ų | 49.9 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 7.9 | -171.6 | -54.6 | 0 | 0 | 0 | 0 | 113.6 | K711 A712 R713 Q717 Y723 T724 | K711-S715 VanDerWaalsContact O-CB 3.23Å; K711-S715 WeakPolarHBondContact O-CB 3.37Å; K711-S715 PolarHBondContact O-N 3.32Å; K711-S715 PolarHBondContact O-OG 2.77Å; A712-S715 CarbonylContact O-C 3.5Å; A712-S715 WeakPolarHBondContact O-CA 3.46Å; A712-S715 PolarHBondContact O-N 3.5Å; R713-S715 PolarHBondContact O-N 3.11Å; S715-Q717 PolarHBondContact O-N 3.06Å; S715-Q717 PolarHBondContact O-NE2 3.15Å; S715-Q717 VanDerWaalsContact O-NE2 3.12Å; S715-Y723 PolarHBondContact O-N 2.67Å; S715-T724 VanDerWaalsContact OG-CB 3.26Å; S715-T724 WeakPolarHBondContact OG-CB 3.49Å; S715-T724 WeakPolarHBondContact OG-CG2 3.4Å |
| 716 | V | 95.4 | Very high | 94.4 | Very high | 39 Ų | 39 | 51.8 Ų | 51.8 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -66.2 | 128 | 177.3 | 176.2 | 0 | 0 | 0 | 0 | 110 | F422 A712 | F422-V716 HydrophobicContact CE1-CG2 3.67Å; F422-V716 HydrophobicContact CZ-CG2 3.88Å; A712-V716 WeakPolarHBondContact O-CG2 3.42Å; A712-V716 PolarHBondContact O-N 3.13Å |
| 717 | Q | 94.3 | Very high | 94.4 | Very high | 69 Ų | 69 | 52.2 Ų | 52.2 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | trans | -89.3 | 164 | 174.9 | -57.9 | -54.9 | -57.8 | 0 | 0 | 110.9 | S715 D719 G720 S721 Y723 | S715-Q717 PolarHBondContact O-N 3.06Å; S715-Q717 PolarHBondContact O-NE2 3.15Å; S715-Q717 VanDerWaalsContact O-NE2 3.12Å; Q717-D719 WeakPolarHBondContact CB-OD1 3.49Å; Q717-D719 PolarHBondContact O-N 3.14Å; Q717-D719 VanDerWaalsContact O-N 3.12Å; Q717-G720 WeakPolarHBondContact O-CA 3.31Å; Q717-G720 PolarHBondContact O-N 2.89Å; Q717-S721 WeakPolarHBondContact CB-O 3.46Å; Q717-S721 WeakPolarHBondContact CG-O 3.39Å; Q717-S721 PolarHBondContact N-O 2.96Å; Q717-Y723 PolarHBondContact NE2-O 3.1Å; Q717-Y723 VanDerWaalsContact NE2-O 3.12Å | ||
| 718 | P | 90.3 | Very high | 94.3 | Very high | 138 Ų | 138 | 54.9 Ų | 54.9 | 90% | 0.896 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -25.9 | 178.1 | -26.8 | 35.8 | 0 | 0 | 0 | 114.8 | G720 | P718-G720 PolarHBondContact O-N 3.21Š|
| 719 | D | 89 | Confident | 94.3 | Very high | 118 Ų | 118 | 55 Ų | 55 | 63% | 0.631 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 0.7 | 176 | 69.2 | -3.1 | 0 | 0 | 0 | 113.5 | Q717 S721 | Q717-D719 WeakPolarHBondContact CB-OD1 3.49Å; Q717-D719 PolarHBondContact O-N 3.14Å; Q717-D719 VanDerWaalsContact O-N 3.12Å; D719-S721 VanDerWaalsContact C-N 3.29Å; D719-S721 VanDerWaalsContact CG-OG 3.3Å; D719-S721 PolarHBondContact O-N 2.82Å; D719-S721 VanDerWaalsContact OD1-CB 3.25Å; D719-S721 WeakPolarHBondContact OD1-CB 3.29Å; D719-S721 PolarHBondContact OD1-N 3.34Å; D719-S721 PolarHBondContact OD1-OG 3.02Å; D719-S721 PolarHBondContact OD2-OG 3.42Å |
| 720 | G | 86.6 | Confident | 94.5 | Very high | 50 Ų | 50 | 55 Ų | 55 | 52% | 0.515 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 82.8 | -4.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q717 P718 | Q717-G720 WeakPolarHBondContact O-CA 3.31Å; Q717-G720 PolarHBondContact O-N 2.89Å; P718-G720 PolarHBondContact O-N 3.21Å |
| 721 | S | 92.1 | Very high | 94.6 | Very high | 31 Ų | 31 | 53.5 Ų | 53.5 | 22% | 0.217 | 30% | 0.301 | C | S | . | . | trans | -75.2 | 153.5 | 174.9 | 71.1 | 0 | 0 | 0 | 0 | 111.6 | R537 Q717 D719 | R537-S721 PolarHBondContact NH2-OG 2.9Å; Q717-S721 WeakPolarHBondContact CB-O 3.46Å; Q717-S721 WeakPolarHBondContact CG-O 3.39Å; Q717-S721 PolarHBondContact N-O 2.96Å; D719-S721 VanDerWaalsContact C-N 3.29Å; D719-S721 VanDerWaalsContact CG-OG 3.3Å; D719-S721 PolarHBondContact O-N 2.82Å; D719-S721 VanDerWaalsContact OD1-CB 3.25Å; D719-S721 WeakPolarHBondContact OD1-CB 3.29Å; D719-S721 PolarHBondContact OD1-N 3.34Å; D719-S721 PolarHBondContact OD1-OG 3.02Å; D719-S721 PolarHBondContact OD2-OG 3.42Å | ||
| 722 | V | 95.8 | Very high | 94.7 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -91.8 | 127.3 | 172.3 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | F422 D512 P542 A712 | F422-V722 HydrophobicContact CD1-CG2 3.79Å; F422-V722 HydrophobicContact CE1-CG2 3.79Å; D512-V722 HydrophobicContact CB-CB 4.11Å; D512-V722 HydrophobicContact CB-CG2 3.85Å; P542-V722 HydrophobicContact CG-CG1 4.32Å; A712-V722 HydrophobicContact CB-CG1 4.48Å; A712-V722 HydrophobicContact CB-CG2 4.36Å |
| 723 | Y | 97.5 | Very high | 94.8 | Very high | 81 Ų | 81 | 51.6 Ų | 51.6 | 32% | 0.318 | 29% | 0.293 | S | S | . | . | trans | -145.6 | 125 | 175.5 | -178 | -91 | 0 | 0 | 0 | 111.4 | R537 C540 S715 Q717 T725 | R537-Y723 HydrophobicContact CG-CD2 4.06Å; R537-Y723 HydrophobicContact CG-CE2 4.07Å; C540-Y723 HydrophobicContact CB-CD2 3.5Å; C540-Y723 VanDerWaalsContact CB-CD2 3.5Å; C540-Y723 HydrophobicContact CB-CE2 3.32Å; C540-Y723 HydrophobicContact CB-CG 4.3Å; C540-Y723 CarbonylContact O-C 3.57Å; C540-Y723 VanDerWaalsContact O-CA 3.29Å; C540-Y723 WeakPolarHBondContact O-CA 3.47Å; C540-Y723 VanDerWaalsContact SG-CE2 3.58Å; S715-Y723 PolarHBondContact O-N 2.67Å; Q717-Y723 PolarHBondContact NE2-O 3.1Å; Q717-Y723 VanDerWaalsContact NE2-O 3.12Å; Y723-T725 HydrophobicContact CE1-CG2 4.25Å | ||
| 724 | T | 96.9 | Very high | 94.8 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 9% | 0.092 | 27% | 0.273 | C | S | . | . | trans | -153.3 | 139.2 | 175.8 | 179.2 | 0 | 0 | 0 | 0 | 112.5 | C540 P542 S715 A726 S729 | C540-T724 CarbonylContact C-O 3.59Å; C540-T724 VanDerWaalsContact C-O 3.23Å; C540-T724 WeakPolarHBondContact CA-O 3.46Å; C540-T724 WeakPolarHBondContact CB-O 3.43Å; C540-T724 PolarHBondContact O-N 2.87Å; P542-T724 HydrophobicContact CG-CG2 4.06Å; S715-T724 VanDerWaalsContact OG-CB 3.26Å; S715-T724 WeakPolarHBondContact OG-CB 3.49Å; S715-T724 WeakPolarHBondContact OG-CG2 3.4Å; T724-A726 WeakPolarHBondContact OG1-CB 3.14Å; T724-A726 PolarHBondContact OG1-N 3.41Å; T724-A726 VanDerWaalsContact OG1-N 3.16Å; T724-S729 WeakPolarHBondContact CG2-OG 3.29Å; T724-S729 PolarHBondContact OG1-OG 3.05Å | ||
| 725 | T | 95.5 | Very high | 94.6 | Very high | 82 Ų | 82 | 42.7 Ų | 42.7 | 50% | 0.503 | 26% | 0.257 | S | S | . | . | trans | -113.8 | 5.8 | 169.5 | 56.6 | 0 | 0 | 0 | 0 | 112.1 | C540 Y723 | C540-T725 HydrophobicContact CB-CG2 4.47Å; Y723-T725 HydrophobicContact CE1-CG2 4.25Å | ||
| 726 | A | 95.2 | Very high | 94.1 | Very high | 40 Ų | 40 | 46.1 Ų | 46.1 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | trans | -59.6 | 140.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R533 T724 D728 S729 | R533-A726 PolarHBondContact NH1-O 3.41Å; T724-A726 WeakPolarHBondContact OG1-CB 3.14Å; T724-A726 PolarHBondContact OG1-N 3.41Å; T724-A726 VanDerWaalsContact OG1-N 3.16Å; A726-D728 WeakPolarHBondContact CB-OD1 2.83Å; A726-D728 PolarHBondContact O-N 2.77Å; A726-S729 PolarHBondContact O-N 3.4Å; A726-S729 VanDerWaalsContact O-N 3.15Å; A726-S729 PolarHBondContact O-OG 2.85Å | ||
| 727 | V | 93 | Very high | 93.1 | Very high | 89 Ų | 89 | 51.9 Ų | 51.9 | 54% | 0.539 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -67.9 | -28.9 | -174.1 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | S729 S744 M746 | V727-S729 VanDerWaalsContact C-N 3.32Å; V727-S744 WeakPolarHBondContact CG1-OG 3.16Å; V727-S744 WeakPolarHBondContact O-CB 3.23Å; V727-S744 PolarHBondContact O-OG 2.98Å; V727-M746 HydrophobicContact CG1-CB 4.18Å; V727-M746 HydrophobicContact CG1-CG 4.45Å |
| 728 | D | 94.9 | Very high | 92.1 | Very high | 81 Ų | 81 | 52.9 Ų | 52.9 | 43% | 0.433 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -84.9 | 2.2 | 177.2 | 72.2 | -32.9 | 0 | 0 | 0 | 113.7 | K711 A726 V731 | K711-D728 IonicContact NZ-OD2 2.83Å; K711-D728 PolarHBondContact NZ-OD2 2.85Å; A726-D728 WeakPolarHBondContact CB-OD1 2.83Å; A726-D728 PolarHBondContact O-N 2.77Å; D728-V731 VanDerWaalsContact O-CG1 3.25Å; D728-V731 WeakPolarHBondContact O-CG1 3.43Å |
| 729 | S | 96.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -90.5 | -11.8 | 171.9 | 73.9 | 0 | 0 | 0 | 0 | 113.1 | R533 P542 M543 T724 A726 V727 | R533-S729 PolarHBondContact NH1-OG 3.49Å; R533-S729 VanDerWaalsContact NH1-OG 3.09Å; R533-S729 PolarHBondContact NH2-OG 3.32Å; P542-S729 CarbonylContact C-O 3.56Å; P542-S729 VanDerWaalsContact CA-O 3.24Å; P542-S729 WeakPolarHBondContact CA-O 3.48Å; M543-S729 PolarHBondContact N-O 2.88Å; T724-S729 WeakPolarHBondContact CG2-OG 3.29Å; T724-S729 PolarHBondContact OG1-OG 3.05Å; A726-S729 PolarHBondContact O-N 3.4Å; A726-S729 VanDerWaalsContact O-N 3.15Å; A726-S729 PolarHBondContact O-OG 2.85Å; V727-S729 VanDerWaalsContact C-N 3.32Å |
| 730 | A | 98.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 100.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | T530 M543 S744 V745 | T530-A730 HydrophobicContact CG2-CB 3.87Å; T530-A730 WeakPolarHBondContact OG1-CB 3.47Å; M543-A730 HydrophobicContact CB-CB 4.46Å; M543-A730 HydrophobicContact CE-CB 3.98Å; M543-A730 WeakPolarHBondContact O-CA 3.49Å; A730-S744 WeakPolarHBondContact O-CA 3.28Å; A730-V745 HydrophobicContact CB-CG2 4.03Å; A730-V745 PolarHBondContact O-N 2.84Å |
| 731 | V | 98.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.03 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 155.6 | -167.2 | -62.7 | 0 | 0 | 0 | 0 | 112.8 | M543 V544 T545 D728 C742 V743 | M543-V731 PolarHBondContact O-N 2.91Å; V544-V731 CarbonylContact C-O 3.52Å; V544-V731 WeakPolarHBondContact CA-O 3.39Å; V544-V731 HydrophobicContact CB-CG2 4.45Å; V544-V731 HydrophobicContact CG1-CG2 4.43Å; V544-V731 HydrophobicContact CG2-CG2 3.84Å; T545-V731 PolarHBondContact N-O 3.26Å; D728-V731 VanDerWaalsContact O-CG1 3.25Å; D728-V731 WeakPolarHBondContact O-CG1 3.43Å; V731-C742 HydrophobicContact CB-CB 4Å; V731-C742 HydrophobicContact CG1-CB 4.22Å; V731-C742 HydrophobicContact CG2-CB 3.9Å; V731-V743 CarbonylContact C-O 3.53Å; V731-V743 WeakPolarHBondContact CA-O 3.33Å; V731-V743 WeakPolarHBondContact CB-O 3.46Å |
| 732 | L | 98.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.7 | 162.8 | -178.8 | 147.2 | 0 | 0 | 0 | 108.1 | F523 T545 P547 I554 G734 V743 V745 L748 | F523-L732 HydrophobicContact CB-CD1 4.24Å; F523-L732 HydrophobicContact CD2-CD1 3.96Å; F523-L732 HydrophobicContact CG-CD1 4.36Å; T545-L732 CarbonylContact O-C 3.45Å; T545-L732 WeakPolarHBondContact O-CA 3.05Å; P547-L732 HydrophobicContact CG-CD1 3.98Å; P547-L732 HydrophobicContact CG-CD2 3.61Å; P547-L732 HydrophobicContact CG-CG 3.78Å; I554-L732 HydrophobicContact CG2-CD1 3.64Å; L732-G734 PolarHBondContact O-N 3.43Å; L732-V743 PolarHBondContact N-O 3.17Å; L732-V743 PolarHBondContact O-N 3.5Å; L732-V745 HydrophobicContact CB-CG1 4.41Å; L732-L748 HydrophobicContact CB-CD1 3.61Å; L732-L748 HydrophobicContact CD1-CD1 3.98Å; L732-L748 HydrophobicContact CD2-CD1 4.02Å; L732-L748 HydrophobicContact CG-CD1 4.09Å |
| 733 | L | 97.6 | Very high | 92 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 100.9 | 174.2 | 175.1 | 57.2 | 0 | 0 | 0 | 108.7 | V544 T545 P547 M700 Q703 A704 E741 | V544-L733 HydrophobicContact CG1-CB 4.09Å; T545-L733 PolarHBondContact O-N 3.29Å; P547-L733 WeakPolarHBondContact CD-O 3.21Å; M700-L733 HydrophobicContact CB-CD2 4.28Å; M700-L733 HydrophobicContact CE-CG 3.98Å; M700-L733 WeakPolarHBondContact CE-O 3.33Å; M700-L733 WeakPolarHBondContact O-CD2 3.38Å; Q703-L733 HydrophobicContact CB-CD2 3.97Å; Q703-L733 HydrophobicContact CG-CD1 4.35Å; Q703-L733 HydrophobicContact CG-CD2 3.98Å; A704-L733 HydrophobicContact CB-CD2 4.06Å; L733-E741 WeakPolarHBondContact CA-O 3.13Å |
| 734 | G | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 179.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L732 S740 E741 | L732-G734 PolarHBondContact O-N 3.43Å; G734-S740 CarbonylContact O-C 3.5Å; G734-S740 VanDerWaalsContact O-CA 3.26Å; G734-S740 WeakPolarHBondContact O-CA 3.31Å; G734-E741 PolarHBondContact N-O 3.16Å; G734-E741 PolarHBondContact O-N 3Å |
| 735 | I | 90.7 | Very high | 92 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 18% | 0.179 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 110.7 | 169.3 | -64.5 | 169.2 | 0 | 0 | 0 | 108.7 | T557 S558 I559 L696 M700 H739 | T557-I735 PolarHBondContact OG1-N 3.38Å; S558-I735 WeakPolarHBondContact CB-O 3.48Å; S558-I735 PolarHBondContact N-O 3.44Å; S558-I735 PolarHBondContact OG-O 2.92Å; I559-I735 HydrophobicContact CG2-CB 4.36Å; I559-I735 HydrophobicContact CG2-CD1 3.51Å; I559-I735 HydrophobicContact CG2-CG1 4.43Å; L696-I735 HydrophobicContact CD1-CD1 3.6Å; M700-I735 HydrophobicContact CE-CG1 4.36Å; M700-I735 HydrophobicContact SD-CD1 4.39Å; M700-I735 HydrophobicContact SD-CG1 4.48Å; I735-H739 WeakPolarHBondContact CA-O 3.3Å |
| 736 | R | 84.8 | Confident | 92.1 | Very high | 82 Ų | 82 | 45 Ų | 45 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 131.1 | 171.2 | -66 | -174.9 | 75.4 | 179.8 | 6 | 109.4 | G556 R738 H739 E747 | G556-R736 WeakPolarHBondContact O-CG 3.42Å; R736-R738 PolarHBondContact O-N 3.34Å; R736-H739 PolarHBondContact N-O 3.49Å; R736-H739 PolarHBondContact O-N 3.44Å; R736-H739 VanDerWaalsContact O-O 3.13Å; R736-E747 IonicContact NH1-OE1 3.72Å |
| 737 | E | 74.2 | Confident | 92.1 | Very high | 161 Ų | 161 | 47.8 Ų | 47.8 | 75% | 0.752 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | -92 | -176.3 | -53.8 | -175.4 | 166.3 | 0 | 0 | 113 | G356 | G356-E737 CarbonylContact C-O 3.53Š|
| 738 | R | 73.9 | Confident | 92.2 | Very high | 90 Ų | 90 | 43.6 Ų | 43.6 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -2.9 | -173.5 | -52.4 | -174.6 | 173.6 | -178.1 | -6.3 | 113.6 | R736 | R736-R738 PolarHBondContact O-N 3.34Š|
| 739 | H | 81.6 | Confident | 92.3 | Very high | 111 Ų | 111 | 43.8 Ų | 43.8 | 51% | 0.514 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 145.5 | -167.4 | -59.6 | -54.4 | 0 | 0 | 0 | 111.6 | I735 R736 | I735-H739 WeakPolarHBondContact CA-O 3.3Å; R736-H739 PolarHBondContact N-O 3.49Å; R736-H739 PolarHBondContact O-N 3.44Å; R736-H739 VanDerWaalsContact O-O 3.13Å |
| 740 | S | 88 | Confident | 92.1 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 120.8 | 165.5 | 55.9 | 0 | 0 | 0 | 0 | 108.4 | R396 Q703 G734 | R396-S740 PolarHBondContact NH1-OG 3.27Å; R396-S740 PolarHBondContact NH2-OG 3.29Å; Q703-S740 VanDerWaalsContact OE1-CB 3.24Å; Q703-S740 PolarHBondContact OE1-OG 3.27Å; G734-S740 CarbonylContact O-C 3.5Å; G734-S740 VanDerWaalsContact O-CA 3.26Å; G734-S740 WeakPolarHBondContact O-CA 3.31Å |
| 741 | E | 92.2 | Very high | 91.9 | Very high | 91 Ų | 91 | 54 Ų | 54 | 43% | 0.425 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 140.7 | -173.1 | -173.9 | 176.4 | -158.3 | 0 | 0 | 110.4 | L733 G734 V743 | L733-E741 WeakPolarHBondContact CA-O 3.13Å; G734-E741 PolarHBondContact N-O 3.16Å; G734-E741 PolarHBondContact O-N 3Å; E741-V743 HydrophobicContact CB-CG2 4.47Å; E741-V743 HydrophobicContact CG-CG2 4.01Å |
| 742 | C | 95.4 | Very high | 91.7 | Very high | 43 Ų | 43 | 54.5 Ų | 54.5 | 29% | 0.291 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 110.7 | 169.8 | -69.8 | 0 | 0 | 0 | 0 | 108.4 | V731 | V731-C742 HydrophobicContact CB-CB 4Å; V731-C742 HydrophobicContact CG1-CB 4.22Å; V731-C742 HydrophobicContact CG2-CB 3.9Å |
| 743 | V | 95.5 | Very high | 91.6 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 138.9 | 178.1 | -172.8 | 0 | 0 | 0 | 0 | 108.9 | V731 L732 E741 V745 E747 L748 | V731-V743 CarbonylContact C-O 3.53Å; V731-V743 WeakPolarHBondContact CA-O 3.33Å; V731-V743 WeakPolarHBondContact CB-O 3.46Å; L732-V743 PolarHBondContact N-O 3.17Å; L732-V743 PolarHBondContact O-N 3.5Å; E741-V743 HydrophobicContact CB-CG2 4.47Å; E741-V743 HydrophobicContact CG-CG2 4.01Å; V743-V745 PolarHBondContact O-N 2.99Å; V743-E747 HydrophobicContact CG1-CB 4.34Å; V743-E747 HydrophobicContact CG1-CG 4.43Å; V743-L748 HydrophobicContact CB-CD1 4.27Å; V743-L748 HydrophobicContact CB-CD2 4.35Å; V743-L748 HydrophobicContact CB-CG 4.29Å; V743-L748 HydrophobicContact CG1-CD1 4.38Å; V743-L748 HydrophobicContact CG1-CD2 3.8Å; V743-L748 HydrophobicContact CG1-CG 3.85Å |
| 744 | S | 96.9 | Very high | 91.4 | Very high | 12 Ų | 12 | 59.6 Ų | 59.6 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 137 | 178.6 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | V727 A730 M746 E747 L748 | V727-S744 WeakPolarHBondContact CG1-OG 3.16Å; V727-S744 WeakPolarHBondContact O-CB 3.23Å; V727-S744 PolarHBondContact O-OG 2.98Å; A730-S744 WeakPolarHBondContact O-CA 3.28Å; S744-M746 PolarHBondContact O-N 3.15Å; S744-M746 PolarHBondContact OG-N 2.98Å; S744-E747 PolarHBondContact O-N 3.44Å; S744-L748 WeakPolarHBondContact O-CG 3.25Å; S744-L748 PolarHBondContact O-N 3.42Å; S744-L748 VanDerWaalsContact O-N 3.13Å |
| 745 | V | 97.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -25.7 | 174.4 | -62 | 0 | 0 | 0 | 0 | 112.3 | F523 C526 L527 T530 A730 L732 V743 L748 K749 | F523-V745 HydrophobicContact CD2-CB 4.36Å; F523-V745 HydrophobicContact CD2-CG1 4.14Å; F523-V745 HydrophobicContact CE2-CB 4Å; F523-V745 HydrophobicContact CE2-CG1 4.24Å; C526-V745 HydrophobicContact CB-CG1 4.13Å; L527-V745 HydrophobicContact CB-CB 4.49Å; L527-V745 HydrophobicContact CB-CG2 4.44Å; L527-V745 HydrophobicContact CD1-CG2 4.26Å; T530-V745 HydrophobicContact CG2-CG2 4.4Å; A730-V745 HydrophobicContact CB-CG2 4.03Å; A730-V745 PolarHBondContact O-N 2.84Å; L732-V745 HydrophobicContact CB-CG1 4.41Å; V743-V745 PolarHBondContact O-N 2.99Å; V745-L748 PolarHBondContact O-N 3.03Å; V745-K749 PolarHBondContact O-N 3.27Å; V745-K749 VanDerWaalsContact O-N 3.15Å |
| 746 | M | 96.4 | Very high | 91.6 | Very high | 70 Ų | 70 | 69.8 Ų | 69.8 | 35% | 0.345 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.1 | -39.9 | 175.2 | -67.3 | -60.8 | -64.9 | 0 | 0 | 111.8 | L527 T530 E531 V727 S744 K749 | L527-M746 HydrophobicContact CD1-SD 3.52Å; L527-M746 VanDerWaalsContact CD1-SD 3.52Å; T530-M746 HydrophobicContact CG2-CG 3.96Å; T530-M746 HydrophobicContact CG2-SD 4.08Å; E531-M746 HydrophobicContact CG-CE 4.3Å; E531-M746 HydrophobicContact CG-SD 3.94Å; V727-M746 HydrophobicContact CG1-CB 4.18Å; V727-M746 HydrophobicContact CG1-CG 4.45Å; S744-M746 PolarHBondContact O-N 3.15Å; S744-M746 PolarHBondContact OG-N 2.98Å; M746-K749 VanDerWaalsContact O-CB 3.27Å; M746-K749 WeakPolarHBondContact O-CB 3.23Å; M746-K749 PolarHBondContact O-N 3.42Å |
| 747 | E | 95.3 | Very high | 92.1 | Very high | 100 Ų | 100 | 70.3 Ų | 70.3 | 47% | 0.467 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 174.6 | -175.1 | -170 | 145.1 | 0 | 0 | 110.8 | R736 V743 S744 K749 | R736-E747 IonicContact NH1-OE1 3.72Å; V743-E747 HydrophobicContact CG1-CB 4.34Å; V743-E747 HydrophobicContact CG1-CG 4.43Å; S744-E747 PolarHBondContact O-N 3.44Å; E747-K749 PolarHBondContact O-N 2.91Å |
| 748 | L | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70 | -16 | 179.8 | -65.6 | 179.8 | 0 | 0 | 0 | 113.8 | F523 P555 L732 V743 S744 V745 E750 Q751 A752 | F523-L748 HydrophobicContact CE2-CB 3.74Å; F523-L748 HydrophobicContact CE2-CD1 4.35Å; F523-L748 HydrophobicContact CZ-CB 3.98Å; P555-L748 HydrophobicContact CB-CB 4.36Å; P555-L748 HydrophobicContact CB-CD2 4.37Å; P555-L748 HydrophobicContact CG-CB 4.27Å; L732-L748 HydrophobicContact CB-CD1 3.61Å; L732-L748 HydrophobicContact CD1-CD1 3.98Å; L732-L748 HydrophobicContact CD2-CD1 4.02Å; L732-L748 HydrophobicContact CG-CD1 4.09Å; V743-L748 HydrophobicContact CB-CD1 4.27Å; V743-L748 HydrophobicContact CB-CD2 4.35Å; V743-L748 HydrophobicContact CB-CG 4.29Å; V743-L748 HydrophobicContact CG1-CD1 4.38Å; V743-L748 HydrophobicContact CG1-CD2 3.8Å; V743-L748 HydrophobicContact CG1-CG 3.85Å; S744-L748 WeakPolarHBondContact O-CG 3.25Å; S744-L748 PolarHBondContact O-N 3.42Å; S744-L748 VanDerWaalsContact O-N 3.13Å; V745-L748 PolarHBondContact O-N 3.03Å; L748-E750 PolarHBondContact O-N 3.49Å; L748-Q751 PolarHBondContact O-N 3.11Å; L748-A752 PolarHBondContact O-N 3.4Å |
| 749 | K | 95.9 | Very high | 93.9 | Very high | 85 Ų | 85 | 59.4 Ų | 59.4 | 37% | 0.37 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -56 | -40.4 | 176.7 | -177.7 | 179.7 | 178.3 | 176.6 | 0 | 111.7 | L527 E531 V745 M746 E747 Q751 A752 F754 | L527-K749 HydrophobicContact CD1-CB 4.32Å; L527-K749 HydrophobicContact CD1-CD 4.33Å; L527-K749 HydrophobicContact CD2-CB 4.07Å; L527-K749 HydrophobicContact CD2-CD 4.12Å; L527-K749 HydrophobicContact CD2-CG 3.89Å; E531-K749 WeakPolarHBondContact OE1-CE 3.32Å; E531-K749 IonicContact OE1-NZ 2.84Å; E531-K749 PolarHBondContact OE1-NZ 3.45Å; V745-K749 PolarHBondContact O-N 3.27Å; V745-K749 VanDerWaalsContact O-N 3.15Å; M746-K749 VanDerWaalsContact O-CB 3.27Å; M746-K749 WeakPolarHBondContact O-CB 3.23Å; M746-K749 PolarHBondContact O-N 3.42Å; E747-K749 PolarHBondContact O-N 2.91Å; K749-Q751 PolarHBondContact O-N 3.47Å; K749-A752 PolarHBondContact O-N 2.84Å; K749-F754 HydrophobicContact CG-CE2 4Å; K749-F754 HydrophobicContact CG-CZ 4.05Å |
| 750 | E | 93 | Very high | 94.2 | Very high | 178 Ų | 178 | 57.9 Ų | 57.9 | 83% | 0.832 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -72.4 | -17.7 | 179.7 | -61.7 | -175.3 | 170.7 | 0 | 0 | 112.8 | L748 | L748-E750 PolarHBondContact O-N 3.49Š|
| 751 | Q | 93.7 | Very high | 94.1 | Very high | 41 Ų | 41 | 61.5 Ų | 61.5 | 19% | 0.192 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -97.2 | 9.3 | -180 | -60.3 | 174.7 | 35.9 | 0 | 0 | 112.6 | P555 L748 K749 T760 | P555-Q751 HydrophobicContact CB-CB 4.16Å; L748-Q751 PolarHBondContact O-N 3.11Å; K749-Q751 PolarHBondContact O-N 3.47Å; Q751-T760 WeakPolarHBondContact CA-OG1 3.26Å; Q751-T760 PolarHBondContact O-N 3.34Å; Q751-T760 PolarHBondContact O-OG1 2.99Å |
| 752 | A | 95.1 | Very high | 93.9 | Very high | 14 Ų | 14 | 61 Ų | 61 | 12% | 0.116 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F520 F523 P555 L748 K749 F754 L758 | F520-A752 HydrophobicContact CE2-CB 4.29Å; F520-A752 HydrophobicContact CZ-CB 4.12Å; F523-A752 HydrophobicContact CE1-CB 3.93Å; F523-A752 HydrophobicContact CZ-CB 4.37Å; P555-A752 HydrophobicContact CG-CB 4.11Å; L748-A752 PolarHBondContact O-N 3.4Å; K749-A752 PolarHBondContact O-N 2.84Å; A752-F754 HydrophobicContact CB-CD2 4.16Å; A752-F754 HydrophobicContact CB-CE2 3.67Å; A752-F754 HydrophobicContact CB-CZ 3.85Å; A752-F754 WeakPolarHBondContact O-CD2 3.41Å; A752-F754 PolarHBondContact O-N 3.16Å; A752-L758 WeakPolarHBondContact CA-O 3.28Å |
| 753 | D | 95.3 | Very high | 93.6 | Very high | 38 Ų | 38 | 61.8 Ų | 61.8 | 20% | 0.203 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 102.3 | 161.7 | 178.8 | -19.7 | 0 | 0 | 0 | 107.7 | E755 R756 R757 L758 | D753-E755 PolarHBondContact OD1-N 2.83Å; D753-R756 PolarHBondContact OD1-N 2.99Å; D753-R756 WeakPolarHBondContact OD2-CB 3.5Å; D753-R756 WeakPolarHBondContact OD2-CD 3.3Å; D753-R756 WeakPolarHBondContact OD2-CG 3.5Å; D753-R756 IonicContact OD2-CZ 3.91Å; D753-R756 IonicContact OD2-NH1 2.82Å; D753-R756 PolarHBondContact OD2-NH1 3.16Å; D753-R757 CarbonylContact O-C 3.52Å; D753-R757 WeakPolarHBondContact O-CA 3.35Å; D753-R757 PolarHBondContact O-N 3.1Å; D753-L758 HydrophobicContact CB-CB 4.21Å; D753-L758 PolarHBondContact N-O 2.7Å; D753-L758 PolarHBondContact O-N 3.01Å |
| 754 | F | 94.3 | Very high | 93.4 | Very high | 69 Ų | 69 | 61.8 Ų | 61.8 | 30% | 0.303 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -26.8 | -178.2 | -69.8 | -91 | 0 | 0 | 0 | 113.6 | F520 F523 H524 L527 K749 A752 | F520-F754 AromaticContact CE1-CD1 3.71Å; F520-F754 HydrophobicContact CE1-CD1 3.71Å; F520-F754 HydrophobicContact CE1-CE1 4.19Å; F520-F754 HydrophobicContact CE1-CG 4.39Å; F520-F754 AromaticContact CZ-CD1 3.89Å; F520-F754 HydrophobicContact CZ-CD1 3.89Å; F520-F754 HydrophobicContact CZ-CE1 4.23Å; F520-F754 HydrophobicContact CZ-CG 4.27Å; F523-F754 HydrophobicContact CE1-CE1 4.09Å; F523-F754 HydrophobicContact CE1-CZ 4.1Å; F523-F754 HydrophobicContact CZ-CZ 4.47Å; H524-F754 AromaticContact CD2-CE1 3.8Å; L527-F754 HydrophobicContact CD2-CE1 3.81Å; L527-F754 HydrophobicContact CD2-CZ 3.47Å; L527-F754 VanDerWaalsContact CD2-CZ 3.47Å; K749-F754 HydrophobicContact CG-CE2 4Å; K749-F754 HydrophobicContact CG-CZ 4.05Å; A752-F754 HydrophobicContact CB-CD2 4.16Å; A752-F754 HydrophobicContact CB-CE2 3.67Å; A752-F754 HydrophobicContact CB-CZ 3.85Å; A752-F754 WeakPolarHBondContact O-CD2 3.41Å; A752-F754 PolarHBondContact O-N 3.16Å |
| 755 | E | 93.8 | Very high | 93.2 | Very high | 159 Ų | 159 | 63.1 Ų | 63.1 | 74% | 0.743 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -48 | 179.4 | -173.1 | -172.8 | 173.7 | 0 | 0 | 109.8 | D753 | D753-E755 PolarHBondContact OD1-N 2.83Š|
| 756 | R | 94.2 | Very high | 92.9 | Very high | 90 Ų | 90 | 66.2 Ų | 66.2 | 34% | 0.34 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -10.5 | -178.9 | -56.3 | -174.4 | -174.7 | 90 | 4.3 | 113.3 | Y597 F617 D753 L758 | Y597-R756 HydrophobicContact CD2-CB 3.83Å; Y597-R756 HydrophobicContact CD2-CG 4.33Å; Y597-R756 WeakPolarHBondContact CD2-O 3.15Å; Y597-R756 HydrophobicContact CE2-CB 4.4Å; Y597-R756 HydrophobicContact CG-CB 4.11Å; F617-R756 VanDerWaalsContact CZ-CD 3.42Å; D753-R756 PolarHBondContact OD1-N 2.99Å; D753-R756 WeakPolarHBondContact OD2-CB 3.5Å; D753-R756 WeakPolarHBondContact OD2-CD 3.3Å; D753-R756 WeakPolarHBondContact OD2-CG 3.5Å; D753-R756 IonicContact OD2-CZ 3.91Å; D753-R756 IonicContact OD2-NH1 2.82Å; D753-R756 PolarHBondContact OD2-NH1 3.16Å; R756-L758 HydrophobicContact CB-CD1 3.97Å; R756-L758 HydrophobicContact CB-CG 4.05Å |
| 757 | R | 95.7 | Very high | 92.8 | Very high | 93 Ų | 93 | 63 Ų | 63 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 58.3 | -175 | -59.5 | 177.1 | -69.6 | 176.3 | -4.9 | 111.3 | F520 E521 N553 D753 | F520-R757 HydrophobicContact CB-CB 4.14Å; F520-R757 HydrophobicContact CD1-CB 3.84Å; F520-R757 HydrophobicContact CD1-CG 3.63Å; F520-R757 HydrophobicContact CD2-CB 3.86Å; F520-R757 HydrophobicContact CE1-CB 4.17Å; F520-R757 HydrophobicContact CE1-CG 3.9Å; F520-R757 HydrophobicContact CE2-CB 4.19Å; F520-R757 HydrophobicContact CG-CB 3.67Å; F520-R757 HydrophobicContact CG-CG 3.99Å; F520-R757 HydrophobicContact CZ-CB 4.34Å; F520-R757 HydrophobicContact CZ-CG 4.48Å; E521-R757 IonicContact OE1-CZ 3.28Å; E521-R757 IonicContact OE1-NH1 3.13Å; E521-R757 PolarHBondContact OE1-NH1 3.21Å; N553-R757 PolarHBondContact ND2-O 3.27Å; D753-R757 CarbonylContact O-C 3.52Å; D753-R757 WeakPolarHBondContact O-CA 3.35Å; D753-R757 PolarHBondContact O-N 3.1Å |
| 758 | L | 93.3 | Very high | 92.6 | Very high | 9 Ų | 9 | 58.2 Ų | 58.2 | 5% | 0.047 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 153.8 | -178.7 | -66.2 | 176.2 | 0 | 0 | 0 | 112.3 | N553 C598 F617 A752 D753 R756 | N553-L758 HydrophobicContact CB-CD2 4.39Å; C598-L758 HydrophobicContact CB-CD2 3.64Å; F617-L758 HydrophobicContact CD1-CD1 4.09Å; F617-L758 HydrophobicContact CE1-CD1 4.13Å; A752-L758 WeakPolarHBondContact CA-O 3.28Å; D753-L758 HydrophobicContact CB-CB 4.21Å; D753-L758 PolarHBondContact N-O 2.7Å; D753-L758 PolarHBondContact O-N 3.01Å; R756-L758 HydrophobicContact CB-CD1 3.97Å; R756-L758 HydrophobicContact CB-CG 4.05Å |
| 759 | S | 92.5 | Very high | 92.4 | Very high | 13 Ų | 13 | 59.7 Ų | 59.7 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 140.8 | 161.2 | 176.5 | 0 | 0 | 0 | 0 | 109.7 | N553 D761 R762 | N553-S759 PolarHBondContact O-N 3.48Å; S759-D761 PolarHBondContact OG-N 3.32Å; S759-D761 PolarHBondContact OG-O 3.2Å; S759-R762 WeakPolarHBondContact O-CG 3.49Å |
| 760 | T | 87.8 | Confident | 92.2 | Very high | 79 Ų | 79 | 56.6 Ų | 56.6 | 49% | 0.485 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -70.1 | -36.4 | 170.9 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | Q751 R762 | Q751-T760 WeakPolarHBondContact CA-OG1 3.26Å; Q751-T760 PolarHBondContact O-N 3.34Å; Q751-T760 PolarHBondContact O-OG1 2.99Å; T760-R762 PolarHBondContact O-N 3.21Å; T760-R762 PolarHBondContact O-NE 3.44Å |
| 761 | D | 85.9 | Confident | 92.3 | Very high | 102 Ų | 102 | 48.2 Ų | 48.2 | 55% | 0.545 | 23% | 0.228 | S | C | . | . | trans | -77.8 | 116 | 172.2 | -176.8 | 11.3 | 0 | 0 | 0 | 110.8 | S759 W763 | S759-D761 PolarHBondContact OG-N 3.32Å; S759-D761 PolarHBondContact OG-O 3.2Å; D761-W763 PolarHBondContact OD1-N 3.5Å | ||
| 762 | R | 88.6 | Confident | 92.1 | Very high | 80 Ų | 80 | 47.4 Ų | 47.4 | 30% | 0.302 | 22% | 0.223 | S | C | . | . | trans | -129.5 | 60.8 | -174.1 | -67.4 | 171.1 | -74.5 | 171.2 | 0.7 | 110.4 | S759 T760 W764 L765 | S759-R762 WeakPolarHBondContact O-CG 3.49Å; T760-R762 PolarHBondContact O-N 3.21Å; T760-R762 PolarHBondContact O-NE 3.44Å; R762-W764 PolarHBondContact O-N 3Å; R762-L765 HydrophobicContact CB-CD1 3.7Å; R762-L765 HydrophobicContact CB-CG 4.05Å; R762-L765 WeakPolarHBondContact O-CB 3.2Å; R762-L765 PolarHBondContact O-N 2.96Å | ||
| 763 | W | 89.1 | Confident | 92 | Very high | 61 Ų | 61 | 47.5 Ų | 47.5 | 23% | 0.231 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -47.9 | -33 | -175.6 | 72.7 | -95.4 | 0 | 0 | 0 | 114.7 | S558 Y600 D761 L765 K766 L767 | S558-W763 PolarHBondContact O-NE1 3.44Å; Y600-W763 AromaticContact CE2-CZ2 3.99Å; Y600-W763 HydrophobicContact CE2-CZ2 3.99Å; D761-W763 PolarHBondContact OD1-N 3.5Å; W763-L765 PolarHBondContact O-N 3.45Å; W763-K766 WeakPolarHBondContact O-CB 3.25Å; W763-K766 VanDerWaalsContact O-CD 3.22Å; W763-K766 WeakPolarHBondContact O-CD 3.26Å; W763-K766 WeakPolarHBondContact O-CG 3.11Å; W763-K766 PolarHBondContact O-N 3.45Å; W763-L767 HydrophobicContact CH2-CD1 4.48Å; W763-L767 HydrophobicContact CZ3-CD1 3.91Å |
| 764 | W | 92 | Very high | 91.9 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -71.7 | -16.1 | -175.5 | 54.7 | -94.4 | 0 | 0 | 0 | 113.1 | G599 Y600 T603 I616 E618 R762 K766 L767 | G599-W764 VanDerWaalsContact CA-CH2 3.4Å; Y600-W764 HydrophobicContact CD2-CB 4.12Å; Y600-W764 AromaticContact CD2-CD1 3.54Å; Y600-W764 HydrophobicContact CD2-CD2 4.38Å; Y600-W764 AromaticContact CD2-CG 3.74Å; Y600-W764 HydrophobicContact CD2-CG 3.74Å; T603-W764 HydrophobicContact CG2-CE3 3.98Å; T603-W764 HydrophobicContact CG2-CZ3 4.25Å; T603-W764 VanDerWaalsContact OG1-CZ3 3.29Å; T603-W764 WeakPolarHBondContact OG1-CZ3 3.43Å; I616-W764 HydrophobicContact CD1-CH2 4.04Å; I616-W764 HydrophobicContact CD1-CZ3 3.85Å; E618-W764 VanDerWaalsContact CD-CH2 3.42Å; E618-W764 HydrophobicContact CG-CH2 4.12Å; E618-W764 HydrophobicContact CG-CZ2 4.41Å; E618-W764 VanDerWaalsContact OE1-CH2 3.26Å; E618-W764 WeakPolarHBondContact OE1-CH2 3.19Å; E618-W764 WeakPolarHBondContact OE1-CZ2 3.14Å; R762-W764 PolarHBondContact O-N 3Å; W764-K766 PolarHBondContact O-N 3.23Å; W764-L767 WeakPolarHBondContact O-CB 3.38Å; W764-L767 PolarHBondContact O-N 3.2Å |
| 765 | L | 93 | Very high | 91.7 | Very high | 40 Ų | 40 | 42.6 Ų | 42.6 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -60.3 | -27.7 | 172.4 | -72.3 | 174 | 0 | 0 | 0 | 112 | I616 E618 R762 W763 L767 R768 | I616-L765 HydrophobicContact CD1-CD2 3.82Å; E618-L765 HydrophobicContact CB-CD1 4.26Å; E618-L765 HydrophobicContact CB-CD2 3.98Å; R762-L765 HydrophobicContact CB-CD1 3.7Å; R762-L765 HydrophobicContact CB-CG 4.05Å; R762-L765 WeakPolarHBondContact O-CB 3.2Å; R762-L765 PolarHBondContact O-N 2.96Å; W763-L765 PolarHBondContact O-N 3.45Å; L765-L767 PolarHBondContact O-N 3.41Å; L765-R768 HydrophobicContact CD2-CG 4.1Å; L765-R768 VanDerWaalsContact O-CB 3.25Å; L765-R768 WeakPolarHBondContact O-CB 3.42Å; L765-R768 VanDerWaalsContact O-CG 3.28Å; L765-R768 WeakPolarHBondContact O-CG 3.4Å; L765-R768 PolarHBondContact O-N 2.79Å |
| 766 | K | 91.1 | Very high | 91.1 | Very high | 64 Ų | 64 | 35.8 Ų | 35.8 | 28% | 0.278 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -62 | -16.1 | 174.6 | 84.9 | -165.6 | 177.9 | -177.1 | 0 | 113.4 | G21 W763 W764 P769 | G21-K766 WeakPolarHBondContact CA-O 3.49Å; G21-K766 PolarHBondContact N-O 3.25Å; W763-K766 WeakPolarHBondContact O-CB 3.25Å; W763-K766 VanDerWaalsContact O-CD 3.22Å; W763-K766 WeakPolarHBondContact O-CD 3.26Å; W763-K766 WeakPolarHBondContact O-CG 3.11Å; W763-K766 PolarHBondContact O-N 3.45Å; W764-K766 PolarHBondContact O-N 3.23Å; K766-P769 WeakPolarHBondContact O-CD 3.29Å |
| 767 | L | 92.7 | Very high | 89.7 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -89.5 | -10.8 | 176.9 | -57.2 | 179 | 0 | 0 | 0 | 113 | R331 L604 L607 W763 W764 L765 L770 M771 | R331-L767 HydrophobicContact CG-CD2 4.38Å; L604-L767 HydrophobicContact CD2-CD1 3.54Å; L607-L767 HydrophobicContact CD2-CB 4.32Å; L607-L767 HydrophobicContact CD2-CD1 4.49Å; W763-L767 HydrophobicContact CH2-CD1 4.48Å; W763-L767 HydrophobicContact CZ3-CD1 3.91Å; W764-L767 WeakPolarHBondContact O-CB 3.38Å; W764-L767 PolarHBondContact O-N 3.2Å; L765-L767 PolarHBondContact O-N 3.41Å; L767-L770 WeakPolarHBondContact O-CB 3.44Å; L767-L770 PolarHBondContact O-N 3.46Å; L767-M771 PolarHBondContact O-N 2.87Å |
| 768 | R | 91.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.9 | -46 | 178.5 | -67 | -78.1 | -63.7 | 170.6 | 4.1 | 112.8 | T603 A614 E619 L765 L770 M771 R772 | T603-R768 HydrophobicContact CG2-CG 4.12Å; A614-R768 PolarHBondContact O-NH1 3.05Å; A614-R768 PolarHBondContact O-NH2 2.95Å; E619-R768 IonicContact OE1-CZ 2.98Å; E619-R768 IonicContact OE1-NH2 2.64Å; E619-R768 PolarHBondContact OE1-NH2 3.04Å; E619-R768 IonicContact OE2-CZ 3.62Å; E619-R768 VanDerWaalsContact OE2-CZ 3.28Å; E619-R768 IonicContact OE2-NE 3.02Å; E619-R768 PolarHBondContact OE2-NE 3.32Å; E619-R768 IonicContact OE2-NH2 3.04Å; E619-R768 PolarHBondContact OE2-NH2 3.32Å; L765-R768 HydrophobicContact CD2-CG 4.1Å; L765-R768 VanDerWaalsContact O-CB 3.25Å; L765-R768 WeakPolarHBondContact O-CB 3.42Å; L765-R768 VanDerWaalsContact O-CG 3.28Å; L765-R768 WeakPolarHBondContact O-CG 3.4Å; L765-R768 PolarHBondContact O-N 2.79Å; R768-L770 VanDerWaalsContact C-N 3.31Å; R768-L770 PolarHBondContact O-N 2.91Å; R768-M771 WeakPolarHBondContact O-CB 3.34Å; R768-M771 PolarHBondContact O-N 2.78Å; R768-R772 PolarHBondContact O-N 3.41Å; R768-R772 VanDerWaalsContact O-N 3.09Å |
| 769 | P | 91.2 | Very high | 85.7 | Confident | 31 Ų | 31 | 33.7 Ų | 33.7 | 20% | 0.201 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.8 | -42.7 | 176.7 | -23.9 | 35.6 | 0 | 0 | 0 | 112 | K766 M771 R772 I773 M783 | K766-P769 WeakPolarHBondContact O-CD 3.29Å; P769-M771 PolarHBondContact O-N 2.99Å; P769-R772 PolarHBondContact O-N 2.99Å; P769-I773 VanDerWaalsContact O-CG1 3.29Å; P769-I773 WeakPolarHBondContact O-CG1 3.41Å; P769-I773 PolarHBondContact O-N 2.84Å; P769-M783 HydrophobicContact CG-CE 4.26Å |
| 770 | L | 93.1 | Very high | 83.4 | Confident | 19 Ų | 19 | 39.5 Ų | 39.5 | 10% | 0.099 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 177.9 | 179 | 62.2 | 0 | 0 | 0 | 111.6 | M56 R331 A334 L607 L767 R768 R772 I773 L774 | M56-L770 HydrophobicContact CE-CD1 4.34Å; R331-L770 HydrophobicContact CG-CD2 4.14Å; A334-L770 HydrophobicContact CB-CD1 3.4Å; A334-L770 HydrophobicContact CB-CD2 4.43Å; L607-L770 HydrophobicContact CD1-CG 4.42Å; L607-L770 HydrophobicContact CD2-CD2 4.38Å; L767-L770 WeakPolarHBondContact O-CB 3.44Å; L767-L770 PolarHBondContact O-N 3.46Å; R768-L770 VanDerWaalsContact C-N 3.31Å; R768-L770 PolarHBondContact O-N 2.91Å; L770-R772 VanDerWaalsContact C-N 3.34Å; L770-R772 PolarHBondContact O-N 3.14Å; L770-I773 PolarHBondContact O-N 2.9Å; L770-L774 HydrophobicContact CD1-CD1 3.88Å; L770-L774 HydrophobicContact CD1-CD2 4.35Å; L770-L774 HydrophobicContact CD1-CG 3.83Å; L770-L774 HydrophobicContact CG-CD1 4.03Å; L770-L774 HydrophobicContact CG-CG 4.3Å; L770-L774 WeakPolarHBondContact O-CB 3.27Å; L770-L774 WeakPolarHBondContact O-CG 3.32Å; L770-L774 PolarHBondContact O-N 2.83Å |
| 771 | M | 93.6 | Very high | 81.4 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.5 | -48.6 | 175.1 | -175.5 | -156.3 | 76.7 | 0 | 0 | 111.4 | A606 L607 A614 L767 R768 P769 L774 A775 | A606-M771 HydrophobicContact CB-CG 4.23Å; A606-M771 HydrophobicContact CB-SD 3.56Å; A606-M771 VanDerWaalsContact CB-SD 3.56Å; L607-M771 HydrophobicContact CB-CB 4.5Å; L607-M771 HydrophobicContact CB-CG 4.43Å; L607-M771 HydrophobicContact CD1-CB 4.43Å; A614-M771 HydrophobicContact CB-CE 4.26Å; A614-M771 HydrophobicContact CB-SD 3.95Å; L767-M771 PolarHBondContact O-N 2.87Å; R768-M771 WeakPolarHBondContact O-CB 3.34Å; R768-M771 PolarHBondContact O-N 2.78Å; P769-M771 PolarHBondContact O-N 2.99Å; M771-L774 PolarHBondContact O-N 2.62Å; M771-A775 VanDerWaalsContact O-CB 3.27Å; M771-A775 WeakPolarHBondContact O-CB 3.16Å; M771-A775 PolarHBondContact O-N 3.34Å |
| 772 | R | 90.5 | Very high | 78.9 | Confident | 24 Ų | 24 | 38.4 Ų | 38.4 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | 179.3 | -67.6 | -174.3 | -173.5 | 162.4 | 4.2 | 112.7 | E619 R768 P769 L770 A775 G776 H777 S779 | E619-R772 IonicContact OE1-CZ 3.4Å; E619-R772 IonicContact OE1-NH2 2.71Å; E619-R772 PolarHBondContact OE1-NH2 2.65Å; E619-R772 IonicContact OE2-CZ 3.66Å; E619-R772 IonicContact OE2-NH2 3.04Å; E619-R772 PolarHBondContact OE2-NH2 3.07Å; R768-R772 PolarHBondContact O-N 3.41Å; R768-R772 VanDerWaalsContact O-N 3.09Å; P769-R772 PolarHBondContact O-N 2.99Å; L770-R772 VanDerWaalsContact C-N 3.34Å; L770-R772 PolarHBondContact O-N 3.14Å; R772-A775 PolarHBondContact O-N 3.47Å; R772-G776 PolarHBondContact O-N 3.3Å; R772-H777 PolarHBondContact O-N 3.28Å; R772-S779 PolarHBondContact NH1-O 3.06Å |
| 773 | I | 92.5 | Very high | 76.4 | Confident | 15 Ų | 15 | 39.8 Ų | 39.8 | 8% | 0.077 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.2 | -55.7 | 174.8 | -71.2 | 168 | 0 | 0 | 0 | 109 | V24 M56 Y59 W86 P769 L770 A775 G776 | V24-I773 HydrophobicContact CB-CD1 4.24Å; M56-I773 HydrophobicContact CE-CD1 4.35Å; M56-I773 HydrophobicContact SD-CG2 3.94Å; Y59-I773 HydrophobicContact CD1-CD1 4.31Å; Y59-I773 HydrophobicContact CD1-CG1 4.24Å; Y59-I773 HydrophobicContact CD1-CG2 3.83Å; Y59-I773 HydrophobicContact CD2-CG1 4.42Å; Y59-I773 HydrophobicContact CD2-CG2 3.99Å; Y59-I773 HydrophobicContact CE1-CD1 3.89Å; Y59-I773 HydrophobicContact CE1-CG1 3.89Å; Y59-I773 HydrophobicContact CE1-CG2 4.35Å; Y59-I773 HydrophobicContact CE2-CG1 4.07Å; Y59-I773 HydrophobicContact CE2-CG2 4.48Å; Y59-I773 HydrophobicContact CG-CG1 4.5Å; Y59-I773 HydrophobicContact CG-CG2 3.64Å; W86-I773 VanDerWaalsContact CH2-O 3.27Å; W86-I773 WeakPolarHBondContact CH2-O 3.46Å; P769-I773 VanDerWaalsContact O-CG1 3.29Å; P769-I773 WeakPolarHBondContact O-CG1 3.41Å; P769-I773 PolarHBondContact O-N 2.84Å; L770-I773 PolarHBondContact O-N 2.9Å; I773-A775 PolarHBondContact O-N 2.93Å; I773-G776 PolarHBondContact O-N 3.36Å |
| 774 | L | 93.2 | Very high | 73.4 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.9 | -19.1 | -177.8 | -62.7 | -176.7 | 0 | 0 | 0 | 113.2 | R51 A52 R55 W86 L607 L770 M771 | R51-L774 PolarHBondContact NH2-O 2.9Å; A52-L774 HydrophobicContact CB-CD1 4.23Å; A52-L774 HydrophobicContact CB-CD2 4.2Å; R55-L774 HydrophobicContact CB-CD2 3.77Å; R55-L774 WeakPolarHBondContact CD-O 3.24Å; R55-L774 PolarHBondContact NH1-O 3.32Å; W86-L774 WeakPolarHBondContact CZ2-O 3.33Å; L607-L774 HydrophobicContact CD1-CD1 3.88Å; L770-L774 HydrophobicContact CD1-CD1 3.88Å; L770-L774 HydrophobicContact CD1-CD2 4.35Å; L770-L774 HydrophobicContact CD1-CG 3.83Å; L770-L774 HydrophobicContact CG-CD1 4.03Å; L770-L774 HydrophobicContact CG-CG 4.3Å; L770-L774 WeakPolarHBondContact O-CB 3.27Å; L770-L774 WeakPolarHBondContact O-CG 3.32Å; L770-L774 PolarHBondContact O-N 2.83Å; M771-L774 PolarHBondContact O-N 2.62Å |
| 775 | A | 89.4 | Confident | 70.3 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -84.4 | -18 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D612 K636 M771 R772 I773 H777 | D612-A775 VanDerWaalsContact O-CB 3.28Å; D612-A775 WeakPolarHBondContact O-CB 3.44Å; K636-A775 PolarHBondContact NZ-O 2.86Å; M771-A775 VanDerWaalsContact O-CB 3.27Å; M771-A775 WeakPolarHBondContact O-CB 3.16Å; M771-A775 PolarHBondContact O-N 3.34Å; R772-A775 PolarHBondContact O-N 3.47Å; I773-A775 PolarHBondContact O-N 2.93Å; A775-H777 HydrophobicContact CB-CB 4.24Å |
| 776 | G | 81.2 | Confident | 67.3 | Low | 16 Ų | 16 | 48.5 Ų | 48.5 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 42.6 | -172 | 0 | 0 | 0 | 0 | 0 | 110.7 | W86 K636 R772 I773 | W86-G776 VanDerWaalsContact CZ2-N 3.33Å; K636-G776 WeakPolarHBondContact CE-O 3.41Å; K636-G776 PolarHBondContact NZ-O 3Å; R772-G776 PolarHBondContact O-N 3.3Å; I773-G776 PolarHBondContact O-N 3.36Å |
| 777 | H | 66.2 | Low | 64.2 | Low | 9 Ų | 9 | 53.2 Ų | 53.2 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | trans | -110.4 | 117.5 | -178.2 | -162.7 | 45.3 | 0 | 0 | 0 | 109.7 | N613 D629 Y644 R772 A775 S779 | N613-H777 PolarHBondContact ND2-NE2 3.36Å; D629-H777 IonicContact OD1-CE1 2.94Å; D629-H777 PolarHBondContact OD1-CE1 2.92Å; D629-H777 IonicContact OD1-NE2 3.66Å; D629-H777 PolarHBondContact OD1-NE2 3.24Å; D629-H777 IonicContact OD2-NE2 3.84Å; Y644-H777 PolarHBondContact OH-CE1 3Å; Y644-H777 PolarHBondContact OH-ND1 3.31Å; R772-H777 PolarHBondContact O-N 3.28Å; A775-H777 HydrophobicContact CB-CB 4.24Å; H777-S779 PolarHBondContact CD2-OG 3.4Å; H777-S779 VanDerWaalsContact CD2-OG 3.25Å; H777-S779 PolarHBondContact CE1-OG 3.18Å; H777-S779 PolarHBondContact NE2-OG 3Å | ||
| 778 | H | 56.3 | Low | 61 | Low | 130 Ų | 130 | 56.8 Ų | 56.8 | 60% | 0.602 | 33% | 0.328 | S | S | * | . | trans | -100.6 | 6.8 | -171.3 | -64.2 | -66.6 | 0 | 0 | 0 | 114.3 | F780 | H778-F780 WeakPolarHBondContact O-CD2 3.17Å; H778-F780 PolarHBondContact O-N 3.41Å | ||
| 779 | S | 47.4 | Very low | 57.9 | Low | 10 Ų | 10 | 63.3 Ų | 63.3 | 7% | 0.07 | 36% | 0.363 | C | S | . | . | trans | -71.5 | 112.4 | 174.5 | 51 | 0 | 0 | 0 | 0 | 109.4 | D629 R772 H777 Y781 | D629-S779 PolarHBondContact OD1-OG 3.02Å; R772-S779 PolarHBondContact NH1-O 3.06Å; H777-S779 PolarHBondContact CD2-OG 3.4Å; H777-S779 VanDerWaalsContact CD2-OG 3.25Å; H777-S779 PolarHBondContact CE1-OG 3.18Å; H777-S779 PolarHBondContact NE2-OG 3Å; S779-Y781 PolarHBondContact O-N 2.84Å; S779-Y781 WeakPolarHBondContact OG-CE2 3.2Å | ||
| 780 | F | 44.5 | Very low | 54.8 | Low | 135 Ų | 135 | 69.3 Ų | 69.3 | 59% | 0.592 | 40% | 0.399 | S | S | * | . | trans | -85.5 | 104.9 | 169 | -72.1 | -85.8 | 0 | 0 | 0 | 107.7 | H778 | H778-F780 WeakPolarHBondContact O-CD2 3.17Å; H778-F780 PolarHBondContact O-N 3.41Å | ||
| 781 | Y | 46.4 | Very low | 51.7 | Low | 10 Ų | 10 | 80.6 Ų | 80.6 | 4% | 0.039 | 45% | 0.447 | C | S | . | . | trans | -79.2 | 120 | 156.1 | -56.9 | -96.9 | 0 | 0 | 0 | 105.9 | E619 F621 D625 D629 S779 M783 | E619-Y781 WeakPolarHBondContact OE1-CD2 3.34Å; F621-Y781 HydrophobicContact CB-CD1 3.99Å; F621-Y781 HydrophobicContact CB-CE1 3.5Å; F621-Y781 VanDerWaalsContact CB-CE1 3.5Å; D625-Y781 HydrophobicContact CB-CD1 4.01Å; D625-Y781 HydrophobicContact CB-CE1 3.16Å; D629-Y781 PolarHBondContact OD2-OH 3.24Å; S779-Y781 PolarHBondContact O-N 2.84Å; S779-Y781 WeakPolarHBondContact OG-CE2 3.2Å; Y781-M783 PolarHBondContact O-N 3.42Å | ||
| 782 | D | 33.8 | Very low | 49.6 | Very low | 147 Ų | 147 | 84.5 Ų | 84.5 | 79% | 0.786 | 47% | 0.468 | S | S | * | . | trans | -55.6 | 113.5 | -179.1 | -91 | -34.6 | 0 | 0 | 0 | 110 | T784 | D782-T784 VanDerWaalsContact C-N 3.31Å; D782-T784 PolarHBondContact O-N 2.74Å | ||
| 783 | M | 34.4 | Very low | 47.4 | Very low | 109 Ų | 109 | 87.7 Ų | 87.7 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | trans | -84.5 | 77.8 | 167.8 | -75.4 | -155.4 | -69.3 | 0 | 0 | 108.8 | P769 Y781 A785 | P769-M783 HydrophobicContact CG-CE 4.26Å; Y781-M783 PolarHBondContact O-N 3.42Å; M783-A785 PolarHBondContact O-N 2.78Å | ||
| 784 | T | 26.5 | Very low | 44.9 | Very low | 112 Ų | 112 | 91.7 Ų | 91.7 | 69% | 0.687 | 51% | 0.511 | S | S | * | . | trans | -86.8 | 21.3 | 165.3 | 41.4 | 0 | 0 | 0 | 0 | 112.6 | D782 | D782-T784 VanDerWaalsContact C-N 3.31Å; D782-T784 PolarHBondContact O-N 2.74Å | ||
| 785 | A | 28.2 | Very low | 42.1 | Very low | 76 Ų | 76 | 97 Ų | 97 | 63% | 0.628 | 54% | 0.541 | S | S | * | . | trans | -107.6 | 19.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | M783 | M783-A785 PolarHBondContact O-N 2.78Š| ||
| 786 | S | 28.6 | Very low | 39.1 | Very low | 101 Ų | 101 | 102.9 Ų | 102.9 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -131.6 | 11.1 | 174.1 | 66.7 | 0 | 0 | 0 | 0 | 116.4 | ||
| 787 | N | 27.3 | Very low | 36.3 | Very low | 163 Ų | 163 | 108.7 Ų | 108.7 | 87% | 0.872 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -151.1 | 17.8 | 172.8 | -89.8 | -27.1 | 0 | 0 | 0 | 114 | D789 | N787-D789 PolarHBondContact O-N 3.47Š|
| 788 | A | 25.1 | Very low | 34.2 | Very low | 78 Ų | 78 | 115.9 Ų | 115.9 | 65% | 0.645 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -91.9 | 96.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 789 | D | 26.5 | Very low | 32.5 | Very low | 138 Ų | 138 | 114.8 Ų | 114.8 | 74% | 0.738 | 64% | 0.643 | S | S | * | * | trans | 33.7 | 93.2 | 154.3 | -65.7 | -43.9 | 0 | 0 | 0 | 117.9 | N787 K791 | N787-D789 PolarHBondContact O-N 3.47Å; D789-K791 VanDerWaalsContact C-N 3.28Å; D789-K791 PolarHBondContact O-N 2.98Å | ||
| 790 | V | 26.6 | Very low | 31.2 | Very low | 157 Ų | 157 | 123.5 Ų | 123.5 | 95% | 0.952 | 69% | 0.691 | S | S | * | * | trans | -74.6 | 92.6 | 138.1 | 179.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 791 | K | 27.1 | Very low | 30 | Very low | 256 Ų | 256 | 122.5 Ų | 122.5 | 100% | 1.113 | 70% | 0.7 | S | S | * | * | trans | -127.7 | 0 | 160.9 | -100.8 | -169.2 | 177.9 | 179.8 | 0 | 109.2 | D789 | D789-K791 VanDerWaalsContact C-N 3.28Å; D789-K791 PolarHBondContact O-N 2.98Å |
Retrieved 791 of 791 residues in 575.1 ms
(Link to these results)