| 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 | 36.1 | Very low | 72.6 | Confident | 236 Ų | 236 | 95.4 Ų | 95.4 | 100% | 1.163 | 48% | 0.481 | S | S | * | . | 0 | 133.8 | 0 | -73.6 | 172.4 | -174.2 | 0 | 0 | 107.4 | I3 | M1-I3 PolarHBondContact O-N 3.45Å; M1-I3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | S | 39.1 | Very low | 73.9 | Confident | 64 Ų | 64 | 94.5 Ų | 94.5 | 45% | 0.448 | 48% | 0.479 | S | S | . | . | trans | -59.8 | 114.8 | 174.6 | 170.9 | 0 | 0 | 0 | 0 | 108.4 | N4 Q5 | S2-N4 PolarHBondContact O-N 3.45Å; S2-Q5 PolarHBondContact O-N 3.25Å | ||
| 3 | I | 52.2 | Low | 75.2 | Confident | 140 Ų | 140 | 93.4 Ų | 93.4 | 72% | 0.718 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -16.9 | -176 | -67.6 | 167.5 | 0 | 0 | 0 | 111.9 | M1 K72 | M1-I3 PolarHBondContact O-N 3.45Å; M1-I3 VanDerWaalsContact O-N 3.13Å; I3-K72 PolarHBondContact O-NZ 3.43Å |
| 4 | N | 65.5 | Low | 76.4 | Confident | 58 Ų | 58 | 86.7 Ų | 86.7 | 31% | 0.31 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 15.4 | -173.9 | -64.2 | -12 | 0 | 0 | 0 | 113.7 | S2 K69 | S2-N4 PolarHBondContact O-N 3.45Å; N4-K69 HydrophobicContact CB-CG 4.3Å; N4-K69 VanDerWaalsContact O-CG 3.25Å; N4-K69 WeakPolarHBondContact O-CG 3.48Å |
| 5 | Q | 79.1 | Confident | 77.3 | Confident | 109 Ų | 109 | 85.8 Ų | 85.8 | 51% | 0.509 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -97.2 | 142.5 | 172 | -75.5 | 177.4 | -15.8 | 0 | 0 | 111.2 | S2 | S2-Q5 PolarHBondContact O-N 3.25Š|
| 6 | L | 84.8 | Confident | 78.1 | Confident | 15 Ų | 15 | 90.4 Ų | 90.4 | 8% | 0.079 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 134 | 165.6 | -71.9 | 170.1 | 0 | 0 | 0 | 109.6 | Q10 W11 V39 F64 H65 Y68 | L6-Q10 VanDerWaalsContact CA-OE1 3.29Å; L6-Q10 HydrophobicContact CD2-CB 4.09Å; L6-W11 HydrophobicContact CD1-CD2 4.44Å; L6-W11 HydrophobicContact CD1-CH2 4.21Å; L6-W11 HydrophobicContact CD1-CZ2 3.67Å; L6-V39 HydrophobicContact CD2-CB 3.54Å; L6-V39 HydrophobicContact CD2-CG1 3.65Å; L6-V39 HydrophobicContact CD2-CG2 3.88Å; L6-F64 HydrophobicContact CD1-CD1 4.12Å; L6-F64 HydrophobicContact CD1-CE1 4.06Å; L6-H65 PolarHBondContact N-CE1 2.89Å; L6-Y68 HydrophobicContact CD1-CD1 4.41Å; L6-Y68 HydrophobicContact CD1-CG 4.38Å; L6-Y68 HydrophobicContact CD2-CD1 3.77Å; L6-Y68 HydrophobicContact CD2-CD2 3.73Å; L6-Y68 HydrophobicContact CD2-CE1 3.75Å; L6-Y68 HydrophobicContact CD2-CE2 3.72Å; L6-Y68 HydrophobicContact CD2-CG 3.74Å; L6-Y68 HydrophobicContact CG-CD1 3.64Å; L6-Y68 HydrophobicContact CG-CD2 4.44Å; L6-Y68 HydrophobicContact CG-CE1 3.84Å; L6-Y68 HydrophobicContact CG-CG 3.94Å |
| 7 | T | 86.5 | Confident | 78.8 | Confident | 71 Ų | 71 | 92.5 Ų | 92.5 | 44% | 0.436 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 162.9 | 173.6 | 65.3 | 0 | 0 | 0 | 0 | 110.6 | E9 Q10 W11 | T7-E9 VanDerWaalsContact C-N 3.25Å; T7-E9 PolarHBondContact O-N 2.94Å; T7-Q10 PolarHBondContact O-N 3.34Å; T7-Q10 VanDerWaalsContact OG1-CG 3.28Å; T7-Q10 WeakPolarHBondContact OG1-CG 3.39Å; T7-Q10 PolarHBondContact OG1-N 3.16Å; T7-Q10 PolarHBondContact OG1-OE1 3.48Å; T7-W11 PolarHBondContact O-N 3.18Å; T7-W11 VanDerWaalsContact O-N 3.13Å |
| 8 | Q | 86.5 | Confident | 79.5 | Confident | 134 Ų | 134 | 88.1 Ų | 88.1 | 63% | 0.626 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.1 | -41.1 | 174.4 | -173.9 | 61.1 | 38.4 | 0 | 0 | 111.2 | Q10 W11 D12 | Q8-Q10 PolarHBondContact O-N 3.18Å; Q8-W11 WeakPolarHBondContact O-CB 3.41Å; Q8-W11 PolarHBondContact O-N 3.02Å; Q8-W11 VanDerWaalsContact O-N 3.11Å; Q8-D12 PolarHBondContact NE2-OD1 3.23Å; Q8-D12 VanDerWaalsContact NE2-OD1 3.14Å; Q8-D12 PolarHBondContact O-N 3.23Å |
| 9 | E | 86.4 | Confident | 79.8 | Confident | 143 Ų | 143 | 89.9 Ų | 89.9 | 67% | 0.668 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59.4 | -43.5 | 176 | -172.4 | 177 | -165.4 | 0 | 0 | 112.3 | T7 W11 D12 D13 | T7-E9 VanDerWaalsContact C-N 3.25Å; T7-E9 PolarHBondContact O-N 2.94Å; E9-W11 VanDerWaalsContact C-N 3.29Å; E9-W11 PolarHBondContact O-N 2.81Å; E9-D12 PolarHBondContact O-N 3.09Å; E9-D12 VanDerWaalsContact O-N 3.11Å; E9-D13 PolarHBondContact O-N 3.48Å |
| 10 | Q | 90.9 | Very high | 80.2 | Confident | 39 Ų | 39 | 86.4 Ų | 86.4 | 18% | 0.182 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.6 | -34.6 | 175.3 | -75.2 | 176.3 | -41.7 | 0 | 0 | 112.6 | L6 T7 Q8 L14 V39 | L6-Q10 VanDerWaalsContact CA-OE1 3.29Å; L6-Q10 HydrophobicContact CD2-CB 4.09Å; T7-Q10 PolarHBondContact O-N 3.34Å; T7-Q10 VanDerWaalsContact OG1-CG 3.28Å; T7-Q10 WeakPolarHBondContact OG1-CG 3.39Å; T7-Q10 PolarHBondContact OG1-N 3.16Å; T7-Q10 PolarHBondContact OG1-OE1 3.48Å; Q8-Q10 PolarHBondContact O-N 3.18Å; Q10-L14 WeakPolarHBondContact O-CG 2.72Å; Q10-L14 PolarHBondContact O-N 2.61Å; Q10-V39 HydrophobicContact CB-CB 4.5Å; Q10-V39 HydrophobicContact CB-CG1 4.01Å; Q10-V39 HydrophobicContact CG-CB 4.49Å; Q10-V39 HydrophobicContact CG-CG1 4.47Å; Q10-V39 PolarHBondContact NE2-O 3.47Å; Q10-V39 VanDerWaalsContact NE2-O 3.09Å |
| 11 | W | 91.5 | Very high | 80.5 | Confident | 40 Ų | 40 | 82.3 Ų | 82.3 | 15% | 0.152 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.9 | -43.4 | 171.4 | -82.2 | 114.4 | 0 | 0 | 0 | 111.5 | L6 T7 Q8 E9 D13 L14 F15 L21 P61 F64 H65 | L6-W11 HydrophobicContact CD1-CD2 4.44Å; L6-W11 HydrophobicContact CD1-CH2 4.21Å; L6-W11 HydrophobicContact CD1-CZ2 3.67Å; T7-W11 PolarHBondContact O-N 3.18Å; T7-W11 VanDerWaalsContact O-N 3.13Å; Q8-W11 WeakPolarHBondContact O-CB 3.41Å; Q8-W11 PolarHBondContact O-N 3.02Å; Q8-W11 VanDerWaalsContact O-N 3.11Å; E9-W11 VanDerWaalsContact C-N 3.29Å; E9-W11 PolarHBondContact O-N 2.81Å; W11-D13 VanDerWaalsContact C-N 3.3Å; W11-D13 PolarHBondContact O-N 3.42Å; W11-L14 HydrophobicContact CE3-CD1 3.89Å; W11-L14 HydrophobicContact CZ3-CD1 4.02Å; W11-L14 WeakPolarHBondContact O-CB 3.34Å; W11-L14 PolarHBondContact O-N 2.77Å; W11-L14 VanDerWaalsContact O-N 3.16Å; W11-F15 HydrophobicContact CB-CD2 4.45Å; W11-F15 HydrophobicContact CE3-CE2 4.2Å; W11-F15 WeakPolarHBondContact O-CD2 3.31Å; W11-F15 PolarHBondContact O-N 2.8Å; W11-L21 HydrophobicContact CZ3-CD2 4.44Å; W11-P61 HydrophobicContact CH2-CB 3.63Å; W11-P61 WeakPolarHBondContact CH2-O 3.11Å; W11-P61 HydrophobicContact CZ2-CB 4.37Å; W11-P61 HydrophobicContact CZ3-CB 4.05Å; W11-F64 HydrophobicContact CH2-CD1 4.21Å; W11-H65 HydrophobicContact CZ2-CB 4.24Å |
| 12 | D | 88.4 | Confident | 83 | Confident | 85 Ų | 85 | 77.3 Ų | 77.3 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 179.1 | -63.4 | -19.9 | 0 | 0 | 0 | 111.1 | Q8 E9 L14 F15 H16 | Q8-D12 PolarHBondContact NE2-OD1 3.23Å; Q8-D12 VanDerWaalsContact NE2-OD1 3.14Å; Q8-D12 PolarHBondContact O-N 3.23Å; E9-D12 PolarHBondContact O-N 3.09Å; E9-D12 VanDerWaalsContact O-N 3.11Å; D12-L14 PolarHBondContact O-N 3.18Å; D12-F15 CarbonylContact O-C 3.57Å; D12-F15 PolarHBondContact O-N 3.39Å; D12-H16 WeakPolarHBondContact O-CB 3.47Å; D12-H16 PolarHBondContact O-N 3.45Å |
| 13 | D | 90.2 | Very high | 85.3 | Confident | 80 Ų | 80 | 81 Ų | 81 | 43% | 0.428 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 173.3 | -75.1 | -23.8 | 0 | 0 | 0 | 112.6 | E9 W11 H16 K17 V38 | E9-D13 PolarHBondContact O-N 3.48Å; W11-D13 VanDerWaalsContact C-N 3.3Å; W11-D13 PolarHBondContact O-N 3.42Å; D13-H16 PolarHBondContact O-N 2.92Å; D13-K17 WeakPolarHBondContact O-CB 3.43Å; D13-K17 PolarHBondContact O-N 2.91Å; D13-V38 HydrophobicContact CB-CG1 3.78Å |
| 14 | L | 91.9 | Very high | 87 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 174.6 | -71.5 | 172.4 | 0 | 0 | 0 | 111.2 | Q10 W11 D12 H16 K17 Y18 L21 A35 V38 V39 F64 | Q10-L14 WeakPolarHBondContact O-CG 2.72Å; Q10-L14 PolarHBondContact O-N 2.61Å; W11-L14 HydrophobicContact CE3-CD1 3.89Å; W11-L14 HydrophobicContact CZ3-CD1 4.02Å; W11-L14 WeakPolarHBondContact O-CB 3.34Å; W11-L14 PolarHBondContact O-N 2.77Å; W11-L14 VanDerWaalsContact O-N 3.16Å; D12-L14 PolarHBondContact O-N 3.18Å; L14-H16 VanDerWaalsContact C-N 3.27Å; L14-H16 PolarHBondContact O-N 3.41Å; L14-K17 PolarHBondContact O-N 3.41Å; L14-Y18 HydrophobicContact CD2-CD2 3.96Å; L14-Y18 HydrophobicContact CD2-CE2 3.75Å; L14-Y18 WeakPolarHBondContact O-CD2 3.5Å; L14-Y18 PolarHBondContact O-N 3.37Å; L14-L21 HydrophobicContact CB-CD2 3.87Å; L14-A35 HydrophobicContact CD2-CB 3.77Å; L14-V38 HydrophobicContact CD2-CB 4.17Å; L14-V38 HydrophobicContact CD2-CG1 4.06Å; L14-V38 HydrophobicContact CG-CG1 4.43Å; L14-V39 HydrophobicContact CD1-CG1 3.66Å; L14-V39 HydrophobicContact CD2-CG1 4.07Å; L14-V39 HydrophobicContact CG-CG1 3.8Å; L14-F64 HydrophobicContact CD1-CD1 4.15Å; L14-F64 HydrophobicContact CD1-CE1 3.56Å; L14-F64 HydrophobicContact CD1-CZ 4.26Å; L14-F64 HydrophobicContact CD2-CE1 4.49Å; L14-F64 HydrophobicContact CD2-CZ 4.41Å |
| 15 | F | 91.2 | Very high | 88.1 | Confident | 73 Ų | 73 | 78.4 Ų | 78.4 | 32% | 0.32 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.7 | -33.2 | 177.6 | -88 | -72.5 | 0 | 0 | 0 | 111.9 | W11 D12 L21 R22 | W11-F15 HydrophobicContact CB-CD2 4.45Å; W11-F15 HydrophobicContact CE3-CE2 4.2Å; W11-F15 WeakPolarHBondContact O-CD2 3.31Å; W11-F15 PolarHBondContact O-N 2.8Å; D12-F15 CarbonylContact O-C 3.57Å; D12-F15 PolarHBondContact O-N 3.39Å; F15-L21 HydrophobicContact CD1-CD2 4.05Å; F15-L21 HydrophobicContact CD1-CG 3.88Å; F15-L21 HydrophobicContact CD2-CD2 4.21Å; F15-L21 HydrophobicContact CE1-CD1 4.42Å; F15-L21 HydrophobicContact CE1-CD2 4.16Å; F15-L21 HydrophobicContact CE1-CG 3.7Å; F15-L21 HydrophobicContact CE2-CD2 4.28Å; F15-L21 HydrophobicContact CG-CD2 4.07Å; F15-L21 HydrophobicContact CG-CG 4.41Å; F15-L21 HydrophobicContact CZ-CD1 4.45Å; F15-L21 HydrophobicContact CZ-CD2 4.26Å; F15-L21 HydrophobicContact CZ-CG 4.06Å; F15-R22 HydrophobicContact CD1-CG 4.14Å; F15-R22 WeakPolarHBondContact O-CD 3.46Å; F15-R22 WeakPolarHBondContact O-CG 3.26Å; F15-R22 PolarHBondContact O-NH1 3.47Å |
| 16 | H | 89.2 | Confident | 88.7 | Confident | 160 Ų | 160 | 75.4 Ų | 75.4 | 74% | 0.741 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -72.1 | -41.3 | 175.7 | -168.8 | -78.2 | 0 | 0 | 0 | 111.5 | D12 D13 L14 R22 | D12-H16 WeakPolarHBondContact O-CB 3.47Å; D12-H16 PolarHBondContact O-N 3.45Å; D13-H16 PolarHBondContact O-N 2.92Å; L14-H16 VanDerWaalsContact C-N 3.27Å; L14-H16 PolarHBondContact O-N 3.41Å; H16-R22 VanDerWaalsContact C-NH1 3.33Å; H16-R22 PolarHBondContact O-NH1 3.45Å |
| 17 | K | 90.5 | Very high | 89 | Confident | 126 Ų | 126 | 74.7 Ų | 74.7 | 55% | 0.548 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -81 | -38.9 | -174.2 | -161.7 | 174.2 | -175.2 | 174.1 | 0 | 114.1 | D13 L14 V38 | D13-K17 WeakPolarHBondContact O-CB 3.43Å; D13-K17 PolarHBondContact O-N 2.91Å; L14-K17 PolarHBondContact O-N 3.41Å; K17-V38 HydrophobicContact CD-CG2 3.44Å; K17-V38 VanDerWaalsContact CD-CG2 3.44Å; K17-V38 VanDerWaalsContact NZ-CG2 3.33Å |
| 18 | Y | 90.8 | Very high | 89.2 | Confident | 13 Ų | 13 | 72.2 Ų | 72.2 | 5% | 0.051 | 35% | 0.345 | C | S | . | . | trans | -106 | 109.5 | -171.4 | -61.1 | -74 | 0 | 0 | 0 | 112.5 | L14 S20 L21 R22 D31 T34 A35 V38 | L14-Y18 HydrophobicContact CD2-CD2 3.96Å; L14-Y18 HydrophobicContact CD2-CE2 3.75Å; L14-Y18 WeakPolarHBondContact O-CD2 3.5Å; L14-Y18 PolarHBondContact O-N 3.37Å; Y18-S20 VanDerWaalsContact C-N 3.31Å; Y18-S20 PolarHBondContact O-N 2.87Å; Y18-L21 WeakPolarHBondContact O-CB 3.28Å; Y18-L21 PolarHBondContact O-N 2.99Å; Y18-R22 PolarHBondContact O-N 3.3Å; Y18-D31 HydrophobicContact CD1-CB 3.78Å; Y18-D31 HydrophobicContact CE1-CB 3.61Å; Y18-T34 WeakPolarHBondContact OH-CB 3.2Å; Y18-T34 PolarHBondContact OH-O 3.29Å; Y18-T34 PolarHBondContact OH-OG1 3.38Å; Y18-T34 VanDerWaalsContact OH-OG1 3.05Å; Y18-A35 HydrophobicContact CD2-CB 4.4Å; Y18-A35 HydrophobicContact CE2-CB 3.7Å; Y18-A35 WeakPolarHBondContact OH-CA 3.38Å; Y18-A35 PolarHBondContact OH-N 3.14Å; Y18-V38 HydrophobicContact CE2-CG2 4.31Å | ||
| 19 | K | 86.4 | Confident | 89.4 | Confident | 123 Ų | 123 | 67.1 Ų | 67.1 | 54% | 0.535 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 177.4 | -174.8 | 179 | 171.9 | -175.4 | 0 | 112.4 | L21 R22 E23 | K19-L21 VanDerWaalsContact C-N 3.27Å; K19-L21 PolarHBondContact O-N 3.18Å; K19-R22 PolarHBondContact O-N 3.1Å; K19-R22 VanDerWaalsContact O-N 3.11Å; K19-E23 WeakPolarHBondContact CE-OE1 3.23Å; K19-E23 VanDerWaalsContact CE-OE2 3.24Å; K19-E23 WeakPolarHBondContact CE-OE2 3.49Å; K19-E23 HydrophobicContact CG-CG 4.26Å; K19-E23 IonicContact NZ-OE1 3.82Å; K19-E23 PolarHBondContact NZ-OE1 3.23Å; K19-E23 PolarHBondContact O-N 3.41Å |
| 20 | S | 86.2 | Confident | 89.6 | Confident | 19 Ų | 19 | 66.8 Ų | 66.8 | 13% | 0.133 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.5 | -40.5 | 175.9 | 45.8 | 0 | 0 | 0 | 0 | 112.3 | Y18 E23 S24 N26 | Y18-S20 VanDerWaalsContact C-N 3.31Å; Y18-S20 PolarHBondContact O-N 2.87Å; S20-E23 PolarHBondContact O-N 2.95Å; S20-S24 WeakPolarHBondContact O-CB 3.32Å; S20-S24 PolarHBondContact O-N 3.41Å; S20-S24 PolarHBondContact O-OG 2.92Å; S20-N26 CarbonylContact C-O 3.59Å; S20-N26 WeakPolarHBondContact CB-O 3.2Å |
| 21 | L | 87.8 | Confident | 89.6 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.4 | -38.2 | 177.4 | -172.3 | 60.6 | 0 | 0 | 0 | 111.6 | W11 L14 F15 Y18 K19 N25 N26 I27 P61 | W11-L21 HydrophobicContact CZ3-CD2 4.44Å; L14-L21 HydrophobicContact CB-CD2 3.87Å; F15-L21 HydrophobicContact CD1-CD2 4.05Å; F15-L21 HydrophobicContact CD1-CG 3.88Å; F15-L21 HydrophobicContact CD2-CD2 4.21Å; F15-L21 HydrophobicContact CE1-CD1 4.42Å; F15-L21 HydrophobicContact CE1-CD2 4.16Å; F15-L21 HydrophobicContact CE1-CG 3.7Å; F15-L21 HydrophobicContact CE2-CD2 4.28Å; F15-L21 HydrophobicContact CG-CD2 4.07Å; F15-L21 HydrophobicContact CG-CG 4.41Å; F15-L21 HydrophobicContact CZ-CD1 4.45Å; F15-L21 HydrophobicContact CZ-CD2 4.26Å; F15-L21 HydrophobicContact CZ-CG 4.06Å; Y18-L21 WeakPolarHBondContact O-CB 3.28Å; Y18-L21 PolarHBondContact O-N 2.99Å; K19-L21 VanDerWaalsContact C-N 3.27Å; K19-L21 PolarHBondContact O-N 3.18Å; L21-N25 VanDerWaalsContact O-CA 3.23Å; L21-N25 WeakPolarHBondContact O-CA 3.39Å; L21-N25 PolarHBondContact O-N 2.95Å; L21-N26 WeakPolarHBondContact CA-O 3.47Å; L21-N26 PolarHBondContact N-O 3.07Å; L21-N26 VanDerWaalsContact N-O 3.09Å; L21-I27 HydrophobicContact CB-CG1 4.36Å; L21-I27 HydrophobicContact CD1-CG1 3.93Å; L21-I27 HydrophobicContact CD2-CD1 4.42Å; L21-I27 HydrophobicContact CD2-CG1 4.37Å; L21-I27 HydrophobicContact CG-CG1 4.45Å; L21-P61 HydrophobicContact CD1-CG 4.26Å |
| 22 | R | 87.7 | Confident | 89.7 | Confident | 131 Ų | 131 | 65.6 Ų | 65.6 | 49% | 0.494 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.1 | -40.6 | 176.4 | -65 | -169.6 | -63.4 | -94.2 | 8.8 | 113.5 | F15 H16 Y18 K19 | F15-R22 HydrophobicContact CD1-CG 4.14Å; F15-R22 WeakPolarHBondContact O-CD 3.46Å; F15-R22 WeakPolarHBondContact O-CG 3.26Å; F15-R22 PolarHBondContact O-NH1 3.47Å; H16-R22 VanDerWaalsContact C-NH1 3.33Å; H16-R22 PolarHBondContact O-NH1 3.45Å; Y18-R22 PolarHBondContact O-N 3.3Å; K19-R22 PolarHBondContact O-N 3.1Å; K19-R22 VanDerWaalsContact O-N 3.11Å |
| 23 | E | 87.2 | Confident | 89.9 | Confident | 140 Ų | 140 | 65.9 Ų | 65.9 | 65% | 0.654 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -88.6 | -35.4 | -171.7 | -69.7 | -176.4 | 159.6 | 0 | 0 | 113.3 | K19 S20 | K19-E23 WeakPolarHBondContact CE-OE1 3.23Å; K19-E23 VanDerWaalsContact CE-OE2 3.24Å; K19-E23 WeakPolarHBondContact CE-OE2 3.49Å; K19-E23 HydrophobicContact CG-CG 4.26Å; K19-E23 IonicContact NZ-OE1 3.82Å; K19-E23 PolarHBondContact NZ-OE1 3.23Å; K19-E23 PolarHBondContact O-N 3.41Å; S20-E23 PolarHBondContact O-N 2.95Å |
| 24 | S | 87.7 | Confident | 90 | Very high | 54 Ų | 54 | 64.4 Ų | 64.4 | 38% | 0.378 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -119.2 | -1.6 | -172.2 | 72 | 0 | 0 | 0 | 0 | 113.9 | S20 N26 | S20-S24 WeakPolarHBondContact O-CB 3.32Å; S20-S24 PolarHBondContact O-N 3.41Å; S20-S24 PolarHBondContact O-OG 2.92Å; S24-N26 PolarHBondContact O-N 3.19Å; S24-N26 PolarHBondContact O-ND2 2.66Å |
| 25 | N | 89.8 | Confident | 90.1 | Very high | 90 Ų | 90 | 64.4 Ų | 64.4 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 52.8 | 37.2 | -171 | -159.8 | 36.9 | 0 | 0 | 0 | 112.8 | L21 P61 | L21-N25 VanDerWaalsContact O-CA 3.23Å; L21-N25 WeakPolarHBondContact O-CA 3.39Å; L21-N25 PolarHBondContact O-N 2.95Å; N25-P61 VanDerWaalsContact O-CD 3.3Å; N25-P61 WeakPolarHBondContact O-CD 3.37Å |
| 26 | N | 91.8 | Very high | 90.3 | Very high | 47 Ų | 47 | 61 Ų | 61 | 25% | 0.251 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -145.6 | 148.9 | 178.9 | -68.7 | -71.1 | 0 | 0 | 0 | 110.8 | S20 L21 S24 W58 L59 N60 | S20-N26 CarbonylContact C-O 3.59Å; S20-N26 WeakPolarHBondContact CB-O 3.2Å; L21-N26 WeakPolarHBondContact CA-O 3.47Å; L21-N26 PolarHBondContact N-O 3.07Å; L21-N26 VanDerWaalsContact N-O 3.09Å; S24-N26 PolarHBondContact O-N 3.19Å; S24-N26 PolarHBondContact O-ND2 2.66Å; N26-W58 HydrophobicContact CB-CB 4.04Å; N26-W58 HydrophobicContact CB-CE3 4.36Å; N26-L59 CarbonylContact C-O 3.5Å; N26-L59 WeakPolarHBondContact CA-O 3.4Å; N26-N60 VanDerWaalsContact OD1-CA 3.3Å; N26-N60 WeakPolarHBondContact OD1-CA 3.43Å; N26-N60 WeakPolarHBondContact OD1-CB 3.29Å; N26-N60 PolarHBondContact OD1-N 2.84Å |
| 27 | I | 90.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.2 | 173.1 | -56.3 | 179.5 | 0 | 0 | 0 | 108.2 | L21 D31 A35 W58 L59 F64 | L21-I27 HydrophobicContact CB-CG1 4.36Å; L21-I27 HydrophobicContact CD1-CG1 3.93Å; L21-I27 HydrophobicContact CD2-CD1 4.42Å; L21-I27 HydrophobicContact CD2-CG1 4.37Å; L21-I27 HydrophobicContact CG-CG1 4.45Å; I27-D31 HydrophobicContact CG2-CB 3.97Å; I27-A35 HydrophobicContact CD1-CB 4.34Å; I27-A35 HydrophobicContact CG2-CB 4.24Å; I27-W58 CarbonylContact O-C 3.5Å; I27-W58 VanDerWaalsContact O-CA 3.3Å; I27-W58 WeakPolarHBondContact O-CA 3.45Å; I27-L59 PolarHBondContact N-O 2.9Å; I27-L59 PolarHBondContact O-N 3.2Å; I27-F64 HydrophobicContact CD1-CB 4.18Å; I27-F64 HydrophobicContact CD1-CD1 4Å; I27-F64 HydrophobicContact CD1-CD2 3.68Å; I27-F64 HydrophobicContact CD1-CE1 4.35Å; I27-F64 HydrophobicContact CD1-CE2 4.04Å; I27-F64 HydrophobicContact CD1-CG 3.65Å; I27-F64 HydrophobicContact CD1-CZ 4.37Å |
| 28 | A | 90.8 | Very high | 90.5 | Very high | 18 Ų | 18 | 53 Ų | 53 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 145 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | D30 D31 I32 W58 | A28-D30 PolarHBondContact O-N 3.36Å; A28-D31 HydrophobicContact CB-CB 4.47Å; A28-D31 WeakPolarHBondContact O-CB 3.24Å; A28-D31 PolarHBondContact O-N 2.98Å; A28-I32 PolarHBondContact O-N 3.17Å; A28-W58 HydrophobicContact CB-CE3 3.88Å; A28-W58 HydrophobicContact CB-CH2 4.41Å; A28-W58 HydrophobicContact CB-CZ3 3.62Å |
| 29 | W | 89.9 | Confident | 90.6 | Very high | 28 Ų | 28 | 52.6 Ų | 52.6 | 11% | 0.106 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -57.2 | -39.7 | -177.5 | -179.2 | -88.4 | 0 | 0 | 0 | 113.8 | D31 I32 I48 V52 Q55 R56 N57 L59 | W29-D31 PolarHBondContact O-N 3.11Å; W29-I32 HydrophobicContact CB-CD1 4.32Å; W29-I32 HydrophobicContact CD2-CD1 3.59Å; W29-I32 HydrophobicContact CE3-CD1 3.24Å; W29-I32 HydrophobicContact CG-CD1 4.1Å; W29-I32 HydrophobicContact CH2-CD1 4.44Å; W29-I32 HydrophobicContact CZ3-CD1 3.73Å; W29-I32 WeakPolarHBondContact O-CB 3.5Å; W29-I32 WeakPolarHBondContact O-CG1 3.38Å; W29-I32 PolarHBondContact O-N 2.77Å; W29-I32 VanDerWaalsContact O-N 3.15Å; W29-I48 HydrophobicContact CZ2-CG2 4.43Å; W29-V52 HydrophobicContact CH2-CB 3.86Å; W29-V52 HydrophobicContact CH2-CG1 3.81Å; W29-V52 HydrophobicContact CH2-CG2 4.34Å; W29-V52 HydrophobicContact CZ3-CB 4.21Å; W29-V52 HydrophobicContact CZ3-CG1 3.67Å; W29-Q55 HydrophobicContact CD2-CG 4.04Å; W29-Q55 HydrophobicContact CG-CG 4Å; W29-Q55 HydrophobicContact CZ2-CB 4.16Å; W29-Q55 HydrophobicContact CZ2-CG 4.38Å; W29-R56 WeakPolarHBondContact CB-O 3.37Å; W29-R56 HydrophobicContact CE3-CB 3.73Å; W29-R56 HydrophobicContact CE3-CG 4.36Å; W29-R56 VanDerWaalsContact CE3-N 3.27Å; W29-R56 HydrophobicContact CZ3-CB 3.95Å; W29-R56 HydrophobicContact CZ3-CG 4.06Å; W29-N57 PolarHBondContact N-O 2.73Å; W29-L59 HydrophobicContact CE3-CD1 3.62Å; W29-L59 HydrophobicContact CZ3-CD1 3.78Å |
| 30 | D | 90.1 | Very high | 90.8 | Very high | 136 Ų | 136 | 50 Ų | 50 | 73% | 0.727 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -65.4 | -20.5 | 179.8 | -62.9 | -25.1 | 0 | 0 | 0 | 112.5 | A28 | A28-D30 PolarHBondContact O-N 3.36Š|
| 31 | D | 92.6 | Very high | 90.9 | Very high | 53 Ų | 53 | 49.4 Ų | 49.4 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -91.9 | -10.3 | 178.7 | -68.2 | -31.8 | 0 | 0 | 0 | 113.3 | Y18 I27 A28 W29 K33 T34 A35 | Y18-D31 HydrophobicContact CD1-CB 3.78Å; Y18-D31 HydrophobicContact CE1-CB 3.61Å; I27-D31 HydrophobicContact CG2-CB 3.97Å; A28-D31 HydrophobicContact CB-CB 4.47Å; A28-D31 WeakPolarHBondContact O-CB 3.24Å; A28-D31 PolarHBondContact O-N 2.98Å; W29-D31 PolarHBondContact O-N 3.11Å; D31-K33 VanDerWaalsContact C-N 3.33Å; D31-K33 PolarHBondContact O-N 3.47Å; D31-T34 PolarHBondContact O-N 3.44Å; D31-T34 PolarHBondContact O-OG1 3.49Å; D31-A35 VanDerWaalsContact O-CB 3.26Å; D31-A35 WeakPolarHBondContact O-CB 3.39Å; D31-A35 PolarHBondContact O-N 2.71Å |
| 32 | I | 92.5 | Very high | 91 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -44.2 | -172.4 | -68.6 | 171.5 | 0 | 0 | 0 | 111.9 | A28 W29 A35 L36 I48 L59 L67 | A28-I32 PolarHBondContact O-N 3.17Å; W29-I32 HydrophobicContact CB-CD1 4.32Å; W29-I32 HydrophobicContact CD2-CD1 3.59Å; W29-I32 HydrophobicContact CE3-CD1 3.24Å; W29-I32 HydrophobicContact CG-CD1 4.1Å; W29-I32 HydrophobicContact CH2-CD1 4.44Å; W29-I32 HydrophobicContact CZ3-CD1 3.73Å; W29-I32 WeakPolarHBondContact O-CB 3.5Å; W29-I32 WeakPolarHBondContact O-CG1 3.38Å; W29-I32 PolarHBondContact O-N 2.77Å; W29-I32 VanDerWaalsContact O-N 3.15Å; I32-A35 PolarHBondContact O-N 3.03Å; I32-L36 HydrophobicContact CG2-CD1 4.2Å; I32-L36 PolarHBondContact O-N 2.86Å; I32-I48 HydrophobicContact CG2-CD1 4.37Å; I32-I48 HydrophobicContact CG2-CG2 4.02Å; I32-L59 HydrophobicContact CD1-CD1 3.39Å; I32-L59 HydrophobicContact CD1-CD2 3.94Å; I32-L59 HydrophobicContact CD1-CG 4.21Å; I32-L59 HydrophobicContact CG1-CD1 4.38Å; I32-L67 HydrophobicContact CG2-CD2 3.37Å |
| 33 | K | 92.5 | Very high | 90.9 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.1 | -49.9 | -178.4 | -175 | -171.5 | 173.3 | -151.7 | 0 | 110.4 | D31 A35 L36 E37 V43 I48 | D31-K33 VanDerWaalsContact C-N 3.33Å; D31-K33 PolarHBondContact O-N 3.47Å; K33-A35 VanDerWaalsContact C-N 3.26Å; K33-A35 PolarHBondContact O-N 2.98Å; K33-L36 PolarHBondContact O-N 3.36Å; K33-E37 VanDerWaalsContact CE-OE1 3.27Å; K33-E37 WeakPolarHBondContact CE-OE1 3.21Å; K33-E37 IonicContact NZ-OE1 3.94Å; K33-E37 WeakPolarHBondContact O-CG 3.23Å; K33-E37 PolarHBondContact O-N 2.7Å; K33-V43 WeakPolarHBondContact CE-O 3.21Å; K33-I48 HydrophobicContact CB-CD1 3.59Å; K33-I48 HydrophobicContact CG-CD1 3.92Å |
| 34 | T | 93.5 | Very high | 90.8 | Very high | 49 Ų | 49 | 42.1 Ų | 42.1 | 30% | 0.301 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68 | -28.4 | 178.7 | 46.3 | 0 | 0 | 0 | 0 | 111.6 | Y18 D31 E37 V38 | Y18-T34 WeakPolarHBondContact OH-CB 3.2Å; Y18-T34 PolarHBondContact OH-O 3.29Å; Y18-T34 PolarHBondContact OH-OG1 3.38Å; Y18-T34 VanDerWaalsContact OH-OG1 3.05Å; D31-T34 PolarHBondContact O-N 3.44Å; D31-T34 PolarHBondContact O-OG1 3.49Å; T34-E37 PolarHBondContact O-N 2.81Å; T34-V38 WeakPolarHBondContact O-CG2 3.49Å; T34-V38 PolarHBondContact O-N 3.33Å; T34-V38 VanDerWaalsContact O-N 3.08Å |
| 35 | A | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.2 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | L14 Y18 I27 D31 I32 K33 E37 V38 V39 F64 | L14-A35 HydrophobicContact CD2-CB 3.77Å; Y18-A35 HydrophobicContact CD2-CB 4.4Å; Y18-A35 HydrophobicContact CE2-CB 3.7Å; Y18-A35 WeakPolarHBondContact OH-CA 3.38Å; Y18-A35 PolarHBondContact OH-N 3.14Å; I27-A35 HydrophobicContact CD1-CB 4.34Å; I27-A35 HydrophobicContact CG2-CB 4.24Å; D31-A35 VanDerWaalsContact O-CB 3.26Å; D31-A35 WeakPolarHBondContact O-CB 3.39Å; D31-A35 PolarHBondContact O-N 2.71Å; I32-A35 PolarHBondContact O-N 3.03Å; K33-A35 VanDerWaalsContact C-N 3.26Å; K33-A35 PolarHBondContact O-N 2.98Å; A35-E37 VanDerWaalsContact C-N 3.32Å; A35-E37 PolarHBondContact O-N 2.75Å; A35-V38 WeakPolarHBondContact O-CB 3.45Å; A35-V38 PolarHBondContact O-N 2.92Å; A35-V39 PolarHBondContact O-N 3.02Å; A35-F64 HydrophobicContact CB-CE2 3.54Å; A35-F64 HydrophobicContact CB-CZ 3.65Å |
| 36 | L | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 172.3 | -73.7 | 172.6 | 0 | 0 | 0 | 111.8 | I32 K33 V38 V39 G40 V41 V43 I48 F64 L67 A71 | I32-L36 HydrophobicContact CG2-CD1 4.2Å; I32-L36 PolarHBondContact O-N 2.86Å; K33-L36 PolarHBondContact O-N 3.36Å; L36-V38 VanDerWaalsContact C-N 3.33Å; L36-V38 PolarHBondContact O-N 3.23Å; L36-V39 CarbonylContact O-C 3.01Å; L36-V39 VanDerWaalsContact O-CG2 3.27Å; L36-V39 WeakPolarHBondContact O-CG2 3.47Å; L36-V39 PolarHBondContact O-N 3.16Å; L36-G40 PolarHBondContact O-N 3.4Å; L36-V41 CarbonylContact C-O 3.48Å; L36-V41 WeakPolarHBondContact CB-O 3.43Å; L36-V41 PolarHBondContact O-N 2.93Å; L36-V43 HydrophobicContact CB-CG2 4.42Å; L36-V43 HydrophobicContact CD1-CG2 3.47Å; L36-V43 VanDerWaalsContact CD1-CG2 3.47Å; L36-I48 HydrophobicContact CD1-CD1 4.35Å; L36-I48 HydrophobicContact CD1-CG1 4.28Å; L36-F64 HydrophobicContact CD2-CE2 4.13Å; L36-F64 HydrophobicContact CD2-CZ 4Å; L36-F64 HydrophobicContact CG-CE2 4.09Å; L36-F64 HydrophobicContact CG-CZ 4.24Å; L36-L67 HydrophobicContact CD1-CD2 4.11Å; L36-L67 HydrophobicContact CD1-CG 4.14Å; L36-L67 HydrophobicContact CD2-CG 4.47Å; L36-A71 HydrophobicContact CD1-CB 4.21Å; L36-A71 HydrophobicContact CD2-CB 4.28Å |
| 37 | E | 93.2 | Very high | 90.2 | Very high | 82 Ų | 82 | 41 Ų | 41 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.4 | -38.6 | 175 | -72.6 | 169 | -177.7 | 0 | 0 | 112.2 | K33 T34 A35 V39 G40 V41 | K33-E37 VanDerWaalsContact CE-OE1 3.27Å; K33-E37 WeakPolarHBondContact CE-OE1 3.21Å; K33-E37 IonicContact NZ-OE1 3.94Å; K33-E37 WeakPolarHBondContact O-CG 3.23Å; K33-E37 PolarHBondContact O-N 2.7Å; T34-E37 PolarHBondContact O-N 2.81Å; A35-E37 VanDerWaalsContact C-N 3.32Å; A35-E37 PolarHBondContact O-N 2.75Å; E37-V39 VanDerWaalsContact C-N 3.3Å; E37-V39 PolarHBondContact O-N 2.93Å; E37-G40 PolarHBondContact O-N 3.11Å; E37-G40 VanDerWaalsContact O-N 3.11Å; E37-V41 PolarHBondContact N-O 3.01Å |
| 38 | V | 92 | Very high | 90 | Very high | 37 Ų | 37 | 41.4 Ų | 41.4 | 22% | 0.224 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61 | -39.4 | 175.7 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | D13 L14 K17 Y18 T34 A35 L36 G40 | D13-V38 HydrophobicContact CB-CG1 3.78Å; L14-V38 HydrophobicContact CD2-CB 4.17Å; L14-V38 HydrophobicContact CD2-CG1 4.06Å; L14-V38 HydrophobicContact CG-CG1 4.43Å; K17-V38 HydrophobicContact CD-CG2 3.44Å; K17-V38 VanDerWaalsContact CD-CG2 3.44Å; K17-V38 VanDerWaalsContact NZ-CG2 3.33Å; Y18-V38 HydrophobicContact CE2-CG2 4.31Å; T34-V38 WeakPolarHBondContact O-CG2 3.49Å; T34-V38 PolarHBondContact O-N 3.33Å; T34-V38 VanDerWaalsContact O-N 3.08Å; A35-V38 WeakPolarHBondContact O-CB 3.45Å; A35-V38 PolarHBondContact O-N 2.92Å; L36-V38 VanDerWaalsContact C-N 3.33Å; L36-V38 PolarHBondContact O-N 3.23Å; V38-G40 PolarHBondContact O-N 3.5Å |
| 39 | V | 92.3 | Very high | 89.7 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 15.1 | 178.4 | -56.8 | 0 | 0 | 0 | 0 | 113.3 | L6 Q10 L14 A35 L36 E37 F64 Y68 | L6-V39 HydrophobicContact CD2-CB 3.54Å; L6-V39 HydrophobicContact CD2-CG1 3.65Å; L6-V39 HydrophobicContact CD2-CG2 3.88Å; Q10-V39 HydrophobicContact CB-CB 4.5Å; Q10-V39 HydrophobicContact CB-CG1 4.01Å; Q10-V39 HydrophobicContact CG-CB 4.49Å; Q10-V39 HydrophobicContact CG-CG1 4.47Å; Q10-V39 PolarHBondContact NE2-O 3.47Å; Q10-V39 VanDerWaalsContact NE2-O 3.09Å; L14-V39 HydrophobicContact CD1-CG1 3.66Å; L14-V39 HydrophobicContact CD2-CG1 4.07Å; L14-V39 HydrophobicContact CG-CG1 3.8Å; A35-V39 PolarHBondContact O-N 3.02Å; L36-V39 CarbonylContact O-C 3.01Å; L36-V39 VanDerWaalsContact O-CG2 3.27Å; L36-V39 WeakPolarHBondContact O-CG2 3.47Å; L36-V39 PolarHBondContact O-N 3.16Å; E37-V39 VanDerWaalsContact C-N 3.3Å; E37-V39 PolarHBondContact O-N 2.93Å; V39-F64 HydrophobicContact CG2-CE1 4.44Å; V39-F64 HydrophobicContact CG2-CZ 4.36Å; V39-Y68 HydrophobicContact CB-CD2 4.36Å; V39-Y68 HydrophobicContact CB-CE2 4.32Å; V39-Y68 HydrophobicContact CG2-CD2 3.55Å; V39-Y68 HydrophobicContact CG2-CE2 3.93Å; V39-Y68 HydrophobicContact CG2-CG 4.48Å |
| 40 | G | 89.6 | Confident | 89.5 | Confident | 68 Ų | 68 | 51.8 Ų | 51.8 | 70% | 0.701 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 15.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | L36 E37 V38 | L36-G40 PolarHBondContact O-N 3.4Å; E37-G40 PolarHBondContact O-N 3.11Å; E37-G40 VanDerWaalsContact O-N 3.11Å; V38-G40 PolarHBondContact O-N 3.5Å |
| 41 | V | 89.2 | Confident | 89.4 | Confident | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | trans | -120.4 | 102.4 | -179.6 | -175 | 0 | 0 | 0 | 0 | 111.1 | L36 E37 V43 Y68 A71 K72 K75 | L36-V41 CarbonylContact C-O 3.48Å; L36-V41 WeakPolarHBondContact CB-O 3.43Å; L36-V41 PolarHBondContact O-N 2.93Å; E37-V41 PolarHBondContact N-O 3.01Å; V41-V43 HydrophobicContact CG1-CG1 4.2Å; V41-V43 PolarHBondContact O-N 3.49Å; V41-Y68 HydrophobicContact CG2-CD2 3.77Å; V41-Y68 HydrophobicContact CG2-CE2 3.6Å; V41-A71 HydrophobicContact CG1-CB 3.65Å; V41-K72 HydrophobicContact CG2-CB 4.17Å; V41-K75 HydrophobicContact CG1-CG 4.24Å | ||
| 42 | S | 89.6 | Confident | 88.9 | Confident | 82 Ų | 82 | 46 Ų | 46 | 57% | 0.573 | 27% | 0.265 | S | S | * | . | trans | -89 | 106 | 176.9 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | K75 | S42-K75 WeakPolarHBondContact O-CE 3.44Å; S42-K75 PolarHBondContact O-NZ 3.4Å | ||
| 43 | V | 85.6 | Confident | 88.4 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | trans | -117.7 | 147.5 | 174.9 | -76.8 | 0 | 0 | 0 | 0 | 111.9 | K33 L36 V41 E47 I48 A71 K75 | K33-V43 WeakPolarHBondContact CE-O 3.21Å; L36-V43 HydrophobicContact CB-CG2 4.42Å; L36-V43 HydrophobicContact CD1-CG2 3.47Å; L36-V43 VanDerWaalsContact CD1-CG2 3.47Å; V41-V43 HydrophobicContact CG1-CG1 4.2Å; V41-V43 PolarHBondContact O-N 3.49Å; V43-E47 WeakPolarHBondContact CA-OE2 3.44Å; V43-E47 HydrophobicContact CB-CB 4.22Å; V43-E47 WeakPolarHBondContact CB-OE2 3.33Å; V43-E47 HydrophobicContact CG1-CB 4.49Å; V43-I48 HydrophobicContact CB-CG1 4.33Å; V43-I48 HydrophobicContact CG2-CD1 3.91Å; V43-I48 HydrophobicContact CG2-CG1 3.55Å; V43-A71 HydrophobicContact CG1-CB 4.06Å; V43-K75 HydrophobicContact CG1-CG 4.3Å | ||
| 44 | A | 86.3 | Confident | 87.7 | Confident | 35 Ų | 35 | 51.8 Ų | 51.8 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | trans | -73 | 153.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | H46 E47 I48 | A44-H46 PolarHBondContact O-N 3.42Å; A44-H46 VanDerWaalsContact O-N 3.15Å; A44-E47 HydrophobicContact CB-CG 4.17Å; A44-E47 PolarHBondContact N-OE2 3.12Å; A44-E47 WeakPolarHBondContact O-CB 3.41Å; A44-E47 PolarHBondContact O-N 2.66Å; A44-I48 PolarHBondContact O-N 3.02Å | ||
| 45 | G | 83.6 | Confident | 87 | Confident | 36 Ų | 36 | 55.6 Ų | 55.6 | 37% | 0.371 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.7 | -27.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R49 | G45-R49 PolarHBondContact O-N 2.83Å |
| 46 | H | 84.9 | Confident | 86.5 | Confident | 102 Ų | 102 | 60.7 Ų | 60.7 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -73.7 | -39 | 173.2 | 73.5 | -86.8 | 0 | 0 | 0 | 112.1 | A44 I48 R49 D50 | A44-H46 PolarHBondContact O-N 3.42Å; A44-H46 VanDerWaalsContact O-N 3.15Å; H46-I48 VanDerWaalsContact C-N 3.26Å; H46-I48 PolarHBondContact O-N 3.44Å; H46-R49 WeakPolarHBondContact O-CB 3.37Å; H46-R49 PolarHBondContact O-N 3.1Å; H46-D50 IonicContact CD2-OD2 2.81Å; H46-D50 VanDerWaalsContact O-CG 3.31Å; H46-D50 PolarHBondContact O-N 3.13Å |
| 47 | E | 86.4 | Confident | 86.1 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 14% | 0.14 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.1 | -39 | 174.9 | -62.7 | 175.7 | 138.3 | 0 | 0 | 110.4 | V43 A44 R49 D50 L51 L74 K75 | V43-E47 WeakPolarHBondContact CA-OE2 3.44Å; V43-E47 HydrophobicContact CB-CB 4.22Å; V43-E47 WeakPolarHBondContact CB-OE2 3.33Å; V43-E47 HydrophobicContact CG1-CB 4.49Å; A44-E47 HydrophobicContact CB-CG 4.17Å; A44-E47 PolarHBondContact N-OE2 3.12Å; A44-E47 WeakPolarHBondContact O-CB 3.41Å; A44-E47 PolarHBondContact O-N 2.66Å; E47-R49 PolarHBondContact O-N 3.06Å; E47-D50 PolarHBondContact O-N 3.41Å; E47-L51 VanDerWaalsContact O-CG 3.23Å; E47-L51 WeakPolarHBondContact O-CG 3.23Å; E47-L51 PolarHBondContact O-N 2.93Å; E47-L74 HydrophobicContact CB-CD2 4.03Å; E47-L74 HydrophobicContact CG-CD2 4.16Å; E47-K75 VanDerWaalsContact CD-NZ 3.33Å; E47-K75 IonicContact OE1-NZ 3.93Å; E47-K75 PolarHBondContact OE1-NZ 2.82Å; E47-K75 WeakPolarHBondContact OE2-CE 3.47Å; E47-K75 IonicContact OE2-NZ 2.84Å; E47-K75 PolarHBondContact OE2-NZ 3.22Å |
| 48 | I | 87.3 | Confident | 86 | Confident | 8 Ų | 8 | 69.3 Ų | 69.3 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | 175.5 | -61.3 | 171.5 | 0 | 0 | 0 | 111.3 | W29 I32 K33 L36 V43 A44 H46 D50 L51 V52 L67 | W29-I48 HydrophobicContact CZ2-CG2 4.43Å; I32-I48 HydrophobicContact CG2-CD1 4.37Å; I32-I48 HydrophobicContact CG2-CG2 4.02Å; K33-I48 HydrophobicContact CB-CD1 3.59Å; K33-I48 HydrophobicContact CG-CD1 3.92Å; L36-I48 HydrophobicContact CD1-CD1 4.35Å; L36-I48 HydrophobicContact CD1-CG1 4.28Å; V43-I48 HydrophobicContact CB-CG1 4.33Å; V43-I48 HydrophobicContact CG2-CD1 3.91Å; V43-I48 HydrophobicContact CG2-CG1 3.55Å; A44-I48 PolarHBondContact O-N 3.02Å; H46-I48 VanDerWaalsContact C-N 3.26Å; H46-I48 PolarHBondContact O-N 3.44Å; I48-D50 VanDerWaalsContact C-N 3.3Å; I48-D50 PolarHBondContact O-N 3.4Å; I48-L51 PolarHBondContact O-N 3.43Å; I48-V52 HydrophobicContact CG2-CG2 4.29Å; I48-V52 WeakPolarHBondContact O-CG2 3.38Å; I48-V52 PolarHBondContact O-N 3.14Å; I48-L67 HydrophobicContact CG2-CD2 4.4Å |
| 49 | R | 84.8 | Confident | 86 | Confident | 138 Ų | 138 | 67.7 Ų | 67.7 | 52% | 0.521 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.6 | -37 | 176.1 | -69.7 | -174.3 | -64.8 | -118.5 | 3 | 111.6 | G45 H46 E47 L51 G53 | G45-R49 PolarHBondContact O-N 2.83Å; H46-R49 WeakPolarHBondContact O-CB 3.37Å; H46-R49 PolarHBondContact O-N 3.1Å; E47-R49 PolarHBondContact O-N 3.06Å; R49-L51 VanDerWaalsContact C-N 3.33Å; R49-G53 CarbonylContact O-C 3.37Å; R49-G53 WeakPolarHBondContact O-CA 3.44Å; R49-G53 PolarHBondContact O-N 3.39Å |
| 50 | D | 85.5 | Confident | 85.9 | Confident | 126 Ų | 126 | 69.9 Ų | 69.9 | 67% | 0.674 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68.8 | -33.9 | 176.8 | -61.9 | -24.6 | 0 | 0 | 0 | 111.8 | H46 E47 I48 | H46-D50 IonicContact CD2-OD2 2.81Å; H46-D50 VanDerWaalsContact O-CG 3.31Å; H46-D50 PolarHBondContact O-N 3.13Å; E47-D50 PolarHBondContact O-N 3.41Å; I48-D50 VanDerWaalsContact C-N 3.3Å; I48-D50 PolarHBondContact O-N 3.4Å |
| 51 | L | 87.6 | Confident | 86 | Confident | 36 Ų | 36 | 67.8 Ų | 67.8 | 19% | 0.188 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -79.7 | -32.7 | -179 | -69.4 | 179.3 | 0 | 0 | 0 | 114.5 | E47 I48 R49 L67 K70 A71 L74 | E47-L51 VanDerWaalsContact O-CG 3.23Å; E47-L51 WeakPolarHBondContact O-CG 3.23Å; E47-L51 PolarHBondContact O-N 2.93Å; I48-L51 PolarHBondContact O-N 3.43Å; R49-L51 VanDerWaalsContact C-N 3.33Å; L51-L67 HydrophobicContact CB-CD1 3.7Å; L51-L67 HydrophobicContact CD1-CD1 4.04Å; L51-K70 HydrophobicContact CD1-CB 4.34Å; L51-K70 HydrophobicContact CD2-CB 3.95Å; L51-K70 PolarHBondContact O-NZ 2.85Å; L51-A71 HydrophobicContact CD1-CB 3.84Å; L51-L74 HydrophobicContact CD1-CD2 4.29Å |
| 52 | V | 83.2 | Confident | 86 | Confident | 32 Ų | 32 | 73.6 Ų | 73.6 | 19% | 0.194 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -105.5 | -22.8 | -176 | -172.3 | 0 | 0 | 0 | 0 | 112.6 | W29 I48 L67 | W29-V52 HydrophobicContact CH2-CB 3.86Å; W29-V52 HydrophobicContact CH2-CG1 3.81Å; W29-V52 HydrophobicContact CH2-CG2 4.34Å; W29-V52 HydrophobicContact CZ3-CB 4.21Å; W29-V52 HydrophobicContact CZ3-CG1 3.67Å; I48-V52 HydrophobicContact CG2-CG2 4.29Å; I48-V52 WeakPolarHBondContact O-CG2 3.38Å; I48-V52 PolarHBondContact O-N 3.14Å; V52-L67 HydrophobicContact CG2-CD1 3.44Å; V52-L67 VanDerWaalsContact CG2-CD1 3.44Å; V52-L67 HydrophobicContact CG2-CD2 3.69Å; V52-L67 HydrophobicContact CG2-CG 4.07Å |
| 53 | G | 80.8 | Confident | 86.2 | Confident | 41 Ų | 41 | 72.9 Ų | 72.9 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | trans | 87.5 | -126.6 | -173 | 0 | 0 | 0 | 0 | 0 | 112.3 | R49 | R49-G53 CarbonylContact O-C 3.37Å; R49-G53 WeakPolarHBondContact O-CA 3.44Å; R49-G53 PolarHBondContact O-N 3.39Å | ||
| 54 | Q | 78.4 | Confident | 86.5 | Confident | 172 Ų | 172 | 72.8 Ų | 72.8 | 80% | 0.804 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -66.7 | 145.9 | -178.7 | -71 | -178.9 | -8.8 | 0 | 0 | 111.9 | R56 | Q54-R56 PolarHBondContact O-N 3.26Š|
| 55 | Q | 79 | Confident | 86.8 | Confident | 128 Ų | 128 | 72.5 Ų | 72.5 | 60% | 0.598 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 126.1 | 172.5 | 173.7 | 162.4 | 4.2 | 0 | 0 | 110.2 | W29 | W29-Q55 HydrophobicContact CD2-CG 4.04Å; W29-Q55 HydrophobicContact CG-CG 4Å; W29-Q55 HydrophobicContact CZ2-CB 4.16Å; W29-Q55 HydrophobicContact CZ2-CG 4.38Å |
| 56 | R | 82.6 | Confident | 87.2 | Confident | 108 Ų | 108 | 75.1 Ų | 75.1 | 41% | 0.408 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -102.9 | 171.1 | 174.1 | -56.8 | -176.9 | 178.3 | -167.3 | -2.5 | 109.2 | W29 Q54 L59 E63 | W29-R56 WeakPolarHBondContact CB-O 3.37Å; W29-R56 HydrophobicContact CE3-CB 3.73Å; W29-R56 HydrophobicContact CE3-CG 4.36Å; W29-R56 VanDerWaalsContact CE3-N 3.27Å; W29-R56 HydrophobicContact CZ3-CB 3.95Å; W29-R56 HydrophobicContact CZ3-CG 4.06Å; Q54-R56 PolarHBondContact O-N 3.26Å; R56-L59 HydrophobicContact CB-CD1 4.39Å; R56-E63 IonicContact CZ-OE1 2.86Å; R56-E63 IonicContact NH1-OE1 3.99Å; R56-E63 PolarHBondContact NH1-OE1 3.28Å; R56-E63 IonicContact NH1-OE2 3.71Å; R56-E63 PolarHBondContact NH1-OE2 3.12Å |
| 57 | N | 86.8 | Confident | 87.6 | Confident | 129 Ų | 129 | 70.5 Ų | 70.5 | 69% | 0.69 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -83.6 | -35.9 | 171.4 | -67.6 | -22.3 | 0 | 0 | 0 | 111.4 | W29 | W29-N57 PolarHBondContact N-O 2.73Š|
| 58 | W | 90.6 | Very high | 87.9 | Confident | 134 Ų | 134 | 69.4 Ų | 69.4 | 51% | 0.508 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 153.4 | -173.8 | -46.6 | 93.8 | 0 | 0 | 0 | 110.8 | N26 I27 A28 | N26-W58 HydrophobicContact CB-CB 4.04Å; N26-W58 HydrophobicContact CB-CE3 4.36Å; I27-W58 CarbonylContact O-C 3.5Å; I27-W58 VanDerWaalsContact O-CA 3.3Å; I27-W58 WeakPolarHBondContact O-CA 3.45Å; A28-W58 HydrophobicContact CB-CE3 3.88Å; A28-W58 HydrophobicContact CB-CH2 4.41Å; A28-W58 HydrophobicContact CB-CZ3 3.62Å |
| 59 | L | 90.8 | Very high | 88.1 | Confident | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135.4 | 163.1 | -87.3 | 63.7 | 0 | 0 | 0 | 109 | N26 I27 W29 I32 R56 E63 L67 | N26-L59 CarbonylContact C-O 3.5Å; N26-L59 WeakPolarHBondContact CA-O 3.4Å; I27-L59 PolarHBondContact N-O 2.9Å; I27-L59 PolarHBondContact O-N 3.2Å; W29-L59 HydrophobicContact CE3-CD1 3.62Å; W29-L59 HydrophobicContact CZ3-CD1 3.78Å; I32-L59 HydrophobicContact CD1-CD1 3.39Å; I32-L59 HydrophobicContact CD1-CD2 3.94Å; I32-L59 HydrophobicContact CD1-CG 4.21Å; I32-L59 HydrophobicContact CG1-CD1 4.38Å; R56-L59 HydrophobicContact CB-CD1 4.39Å; L59-E63 HydrophobicContact CB-CB 4.17Å; L59-E63 HydrophobicContact CD2-CB 4.35Å; L59-E63 HydrophobicContact CG-CB 4.05Å; L59-L67 HydrophobicContact CD2-CB 4.44Å; L59-L67 HydrophobicContact CD2-CD2 3.88Å |
| 60 | N | 92.1 | Very high | 88.4 | Confident | 51 Ų | 51 | 70.1 Ų | 70.1 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | trans | -76.5 | 169 | 168.3 | 69.2 | 47 | 0 | 0 | 0 | 110.8 | N26 D62 E63 F64 | N26-N60 VanDerWaalsContact OD1-CA 3.3Å; N26-N60 WeakPolarHBondContact OD1-CA 3.43Å; N26-N60 WeakPolarHBondContact OD1-CB 3.29Å; N26-N60 PolarHBondContact OD1-N 2.84Å; N60-D62 VanDerWaalsContact C-N 3.3Å; N60-D62 PolarHBondContact O-N 2.89Å; N60-D62 PolarHBondContact OD1-N 3.04Å; N60-D62 VanDerWaalsContact OD1-N 3.15Å; N60-E63 PolarHBondContact N-OE2 2.99Å; N60-E63 PolarHBondContact O-N 2.91Å; N60-E63 WeakPolarHBondContact OD1-CG 3.43Å; N60-E63 PolarHBondContact OD1-N 3.13Å; N60-F64 PolarHBondContact O-N 3.17Å | ||
| 61 | P | 90.1 | Very high | 88.6 | Confident | 24 Ų | 24 | 64.1 Ų | 64.1 | 16% | 0.156 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.3 | -37.2 | -175.8 | -27.7 | 37.2 | 0 | 0 | 0 | 113.8 | W11 L21 N25 F64 H65 | W11-P61 HydrophobicContact CH2-CB 3.63Å; W11-P61 WeakPolarHBondContact CH2-O 3.11Å; W11-P61 HydrophobicContact CZ2-CB 4.37Å; W11-P61 HydrophobicContact CZ3-CB 4.05Å; L21-P61 HydrophobicContact CD1-CG 4.26Å; N25-P61 VanDerWaalsContact O-CD 3.3Å; N25-P61 WeakPolarHBondContact O-CD 3.37Å; P61-F64 PolarHBondContact O-N 3.3Å; P61-H65 WeakPolarHBondContact O-CB 3.49Å; P61-H65 PolarHBondContact O-N 3.14Å |
| 62 | D | 90.7 | Very high | 88.7 | Confident | 129 Ų | 129 | 64.6 Ų | 64.6 | 69% | 0.69 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68.6 | -42.8 | 178.7 | -66.2 | -34 | 0 | 0 | 0 | 111.2 | N60 H65 E66 | N60-D62 VanDerWaalsContact C-N 3.3Å; N60-D62 PolarHBondContact O-N 2.89Å; N60-D62 PolarHBondContact OD1-N 3.04Å; N60-D62 VanDerWaalsContact OD1-N 3.15Å; D62-H65 PolarHBondContact O-N 3.3Å; D62-E66 PolarHBondContact O-N 3.43Å |
| 63 | E | 92 | Very high | 88.8 | Confident | 67 Ų | 67 | 67.7 Ų | 67.7 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 175.5 | -71.1 | -179.7 | 152.4 | 0 | 0 | 111.9 | R56 L59 N60 E66 L67 | R56-E63 IonicContact CZ-OE1 2.86Å; R56-E63 IonicContact NH1-OE1 3.99Å; R56-E63 PolarHBondContact NH1-OE1 3.28Å; R56-E63 IonicContact NH1-OE2 3.71Å; R56-E63 PolarHBondContact NH1-OE2 3.12Å; L59-E63 HydrophobicContact CB-CB 4.17Å; L59-E63 HydrophobicContact CD2-CB 4.35Å; L59-E63 HydrophobicContact CG-CB 4.05Å; N60-E63 PolarHBondContact N-OE2 2.99Å; N60-E63 PolarHBondContact O-N 2.91Å; N60-E63 WeakPolarHBondContact OD1-CG 3.43Å; N60-E63 PolarHBondContact OD1-N 3.13Å; E63-E66 PolarHBondContact O-N 2.89Å; E63-L67 WeakPolarHBondContact O-CB 3.28Å; E63-L67 PolarHBondContact O-N 2.98Å |
| 64 | F | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 175 | -177.4 | -95.7 | 0 | 0 | 0 | 111.8 | L6 W11 L14 I27 A35 L36 V39 N60 P61 E66 L67 Y68 | L6-F64 HydrophobicContact CD1-CD1 4.12Å; L6-F64 HydrophobicContact CD1-CE1 4.06Å; W11-F64 HydrophobicContact CH2-CD1 4.21Å; L14-F64 HydrophobicContact CD1-CD1 4.15Å; L14-F64 HydrophobicContact CD1-CE1 3.56Å; L14-F64 HydrophobicContact CD1-CZ 4.26Å; L14-F64 HydrophobicContact CD2-CE1 4.49Å; L14-F64 HydrophobicContact CD2-CZ 4.41Å; I27-F64 HydrophobicContact CD1-CB 4.18Å; I27-F64 HydrophobicContact CD1-CD1 4Å; I27-F64 HydrophobicContact CD1-CD2 3.68Å; I27-F64 HydrophobicContact CD1-CE1 4.35Å; I27-F64 HydrophobicContact CD1-CE2 4.04Å; I27-F64 HydrophobicContact CD1-CG 3.65Å; I27-F64 HydrophobicContact CD1-CZ 4.37Å; A35-F64 HydrophobicContact CB-CE2 3.54Å; A35-F64 HydrophobicContact CB-CZ 3.65Å; L36-F64 HydrophobicContact CD2-CE2 4.13Å; L36-F64 HydrophobicContact CD2-CZ 4Å; L36-F64 HydrophobicContact CG-CE2 4.09Å; L36-F64 HydrophobicContact CG-CZ 4.24Å; V39-F64 HydrophobicContact CG2-CE1 4.44Å; V39-F64 HydrophobicContact CG2-CZ 4.36Å; N60-F64 PolarHBondContact O-N 3.17Å; P61-F64 PolarHBondContact O-N 3.3Å; F64-E66 PolarHBondContact O-N 3.1Å; F64-L67 WeakPolarHBondContact O-CB 3.21Å; F64-L67 PolarHBondContact O-N 3.37Å; F64-Y68 PolarHBondContact O-N 3.31Å |
| 65 | H | 92.6 | Very high | 89.2 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 14% | 0.139 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 176.6 | -174.1 | 81.3 | 0 | 0 | 0 | 112.2 | L6 W11 P61 D62 Y68 K69 | L6-H65 PolarHBondContact N-CE1 2.89Å; W11-H65 HydrophobicContact CZ2-CB 4.24Å; P61-H65 WeakPolarHBondContact O-CB 3.49Å; P61-H65 PolarHBondContact O-N 3.14Å; D62-H65 PolarHBondContact O-N 3.3Å; H65-Y68 PolarHBondContact O-N 3Å; H65-K69 VanDerWaalsContact CD2-CE 3.42Å; H65-K69 WeakPolarHBondContact CD2-CE 2.9Å; H65-K69 PolarHBondContact CD2-NZ 3.1Å; H65-K69 WeakPolarHBondContact NE2-CE 3.43Å; H65-K69 PolarHBondContact NE2-NZ 3.41Å; H65-K69 PolarHBondContact O-N 2.87Å |
| 66 | E | 91.8 | Very high | 89 | Confident | 90 Ų | 90 | 60 Ų | 60 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 173.5 | -74.1 | -56.7 | 128.3 | 0 | 0 | 112.3 | D62 E63 F64 K69 K70 | D62-E66 PolarHBondContact O-N 3.43Å; E63-E66 PolarHBondContact O-N 2.89Å; F64-E66 PolarHBondContact O-N 3.1Å; E66-K69 PolarHBondContact O-N 3.3Å; E66-K69 IonicContact OE1-NZ 3.1Å; E66-K69 PolarHBondContact OE1-NZ 3Å; E66-K70 WeakPolarHBondContact O-CG 3.41Å; E66-K70 PolarHBondContact O-N 3.28Å; E66-K70 VanDerWaalsContact O-N 3.12Å |
| 67 | L | 92.4 | Very high | 88.6 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 172.1 | 177.6 | 57.1 | 0 | 0 | 0 | 111.8 | I32 L36 I48 L51 V52 L59 E63 F64 K69 K70 A71 | I32-L67 HydrophobicContact CG2-CD2 3.37Å; L36-L67 HydrophobicContact CD1-CD2 4.11Å; L36-L67 HydrophobicContact CD1-CG 4.14Å; L36-L67 HydrophobicContact CD2-CG 4.47Å; I48-L67 HydrophobicContact CG2-CD2 4.4Å; L51-L67 HydrophobicContact CB-CD1 3.7Å; L51-L67 HydrophobicContact CD1-CD1 4.04Å; V52-L67 HydrophobicContact CG2-CD1 3.44Å; V52-L67 VanDerWaalsContact CG2-CD1 3.44Å; V52-L67 HydrophobicContact CG2-CD2 3.69Å; V52-L67 HydrophobicContact CG2-CG 4.07Å; L59-L67 HydrophobicContact CD2-CB 4.44Å; L59-L67 HydrophobicContact CD2-CD2 3.88Å; E63-L67 WeakPolarHBondContact O-CB 3.28Å; E63-L67 PolarHBondContact O-N 2.98Å; F64-L67 WeakPolarHBondContact O-CB 3.21Å; F64-L67 PolarHBondContact O-N 3.37Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.29Å; L67-K70 PolarHBondContact O-N 3.48Å; L67-A71 VanDerWaalsContact O-CB 3.26Å; L67-A71 WeakPolarHBondContact O-CB 3.43Å; L67-A71 PolarHBondContact O-N 2.75Å |
| 68 | Y | 93.6 | Very high | 87.7 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.3 | -45.9 | 175.4 | 163.5 | -100.9 | 0 | 0 | 0 | 111.6 | L6 V39 V41 F64 H65 K70 A71 K72 | L6-Y68 HydrophobicContact CD1-CD1 4.41Å; L6-Y68 HydrophobicContact CD1-CG 4.38Å; L6-Y68 HydrophobicContact CD2-CD1 3.77Å; L6-Y68 HydrophobicContact CD2-CD2 3.73Å; L6-Y68 HydrophobicContact CD2-CE1 3.75Å; L6-Y68 HydrophobicContact CD2-CE2 3.72Å; L6-Y68 HydrophobicContact CD2-CG 3.74Å; L6-Y68 HydrophobicContact CG-CD1 3.64Å; L6-Y68 HydrophobicContact CG-CD2 4.44Å; L6-Y68 HydrophobicContact CG-CE1 3.84Å; L6-Y68 HydrophobicContact CG-CG 3.94Å; V39-Y68 HydrophobicContact CB-CD2 4.36Å; V39-Y68 HydrophobicContact CB-CE2 4.32Å; V39-Y68 HydrophobicContact CG2-CD2 3.55Å; V39-Y68 HydrophobicContact CG2-CE2 3.93Å; V39-Y68 HydrophobicContact CG2-CG 4.48Å; V41-Y68 HydrophobicContact CG2-CD2 3.77Å; V41-Y68 HydrophobicContact CG2-CE2 3.6Å; F64-Y68 PolarHBondContact O-N 3.31Å; H65-Y68 PolarHBondContact O-N 3Å; Y68-K70 PolarHBondContact O-N 3.2Å; Y68-A71 PolarHBondContact O-N 3.33Å; Y68-K72 HydrophobicContact CE1-CD 4.28Å; Y68-K72 HydrophobicContact CE2-CD 4.3Å; Y68-K72 VanDerWaalsContact O-CB 3.24Å; Y68-K72 WeakPolarHBondContact O-CB 3.49Å; Y68-K72 PolarHBondContact O-N 3.43Å; Y68-K72 PolarHBondContact OH-NZ 2.99Å |
| 69 | K | 91.4 | Very high | 86.6 | Confident | 56 Ų | 56 | 54.9 Ų | 54.9 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.3 | -50.6 | 175.8 | -75.2 | 176.9 | -173 | 161.2 | 0 | 111.6 | N4 H65 E66 L67 K72 D73 | N4-K69 HydrophobicContact CB-CG 4.3Å; N4-K69 VanDerWaalsContact O-CG 3.25Å; N4-K69 WeakPolarHBondContact O-CG 3.48Å; H65-K69 VanDerWaalsContact CD2-CE 3.42Å; H65-K69 WeakPolarHBondContact CD2-CE 2.9Å; H65-K69 PolarHBondContact CD2-NZ 3.1Å; H65-K69 WeakPolarHBondContact NE2-CE 3.43Å; H65-K69 PolarHBondContact NE2-NZ 3.41Å; H65-K69 PolarHBondContact O-N 2.87Å; E66-K69 PolarHBondContact O-N 3.3Å; E66-K69 IonicContact OE1-NZ 3.1Å; E66-K69 PolarHBondContact OE1-NZ 3Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.29Å; K69-K72 PolarHBondContact O-N 2.82Å; K69-D73 WeakPolarHBondContact O-CB 3.45Å; K69-D73 PolarHBondContact O-N 3.38Å |
| 70 | K | 90.8 | Very high | 85.2 | Confident | 105 Ų | 105 | 56.7 Ų | 56.7 | 46% | 0.457 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | -179.9 | -67 | 178.8 | -175.7 | -179.1 | 0 | 112.5 | L51 E66 L67 Y68 D73 L74 | L51-K70 HydrophobicContact CD1-CB 4.34Å; L51-K70 HydrophobicContact CD2-CB 3.95Å; L51-K70 PolarHBondContact O-NZ 2.85Å; E66-K70 WeakPolarHBondContact O-CG 3.41Å; E66-K70 PolarHBondContact O-N 3.28Å; E66-K70 VanDerWaalsContact O-N 3.12Å; L67-K70 PolarHBondContact O-N 3.48Å; Y68-K70 PolarHBondContact O-N 3.2Å; K70-D73 PolarHBondContact O-N 3.09Å; K70-L74 WeakPolarHBondContact O-CB 3.44Å; K70-L74 PolarHBondContact O-N 2.98Å |
| 71 | A | 89.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.6 | -39 | -180 | 0 | 0 | 0 | 0 | 0 | 111.8 | L36 V41 V43 L51 L67 Y68 K75 | L36-A71 HydrophobicContact CD1-CB 4.21Å; L36-A71 HydrophobicContact CD2-CB 4.28Å; V41-A71 HydrophobicContact CG1-CB 3.65Å; V43-A71 HydrophobicContact CG1-CB 4.06Å; L51-A71 HydrophobicContact CD1-CB 3.84Å; L67-A71 VanDerWaalsContact O-CB 3.26Å; L67-A71 WeakPolarHBondContact O-CB 3.43Å; L67-A71 PolarHBondContact O-N 2.75Å; Y68-A71 PolarHBondContact O-N 3.33Å; A71-K75 WeakPolarHBondContact O-CG 3.47Å; A71-K75 PolarHBondContact O-N 3Å; A71-K75 VanDerWaalsContact O-N 3.13Å |
| 72 | K | 88.9 | Confident | 82.1 | Confident | 46 Ų | 46 | 60.2 Ų | 60.2 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.2 | -47.7 | 174.4 | -171.1 | 173.2 | -174.3 | 173.2 | 0 | 111 | I3 V41 Y68 K69 L74 K75 D76 | I3-K72 PolarHBondContact O-NZ 3.43Å; V41-K72 HydrophobicContact CG2-CB 4.17Å; Y68-K72 HydrophobicContact CE1-CD 4.28Å; Y68-K72 HydrophobicContact CE2-CD 4.3Å; Y68-K72 VanDerWaalsContact O-CB 3.24Å; Y68-K72 WeakPolarHBondContact O-CB 3.49Å; Y68-K72 PolarHBondContact O-N 3.43Å; Y68-K72 PolarHBondContact OH-NZ 2.99Å; K69-K72 PolarHBondContact O-N 2.82Å; K72-L74 VanDerWaalsContact C-N 3.34Å; K72-L74 PolarHBondContact O-N 2.83Å; K72-K75 PolarHBondContact O-N 3.05Å; K72-K75 VanDerWaalsContact O-N 3.12Å; K72-D76 PolarHBondContact O-N 2.95Å |
| 73 | D | 86.4 | Confident | 80.4 | Confident | 97 Ų | 97 | 58.9 Ų | 58.9 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 176.9 | -167.3 | 57 | 0 | 0 | 0 | 112.2 | K69 K70 K75 D76 T77 | K69-D73 WeakPolarHBondContact O-CB 3.45Å; K69-D73 PolarHBondContact O-N 3.38Å; K70-D73 PolarHBondContact O-N 3.09Å; D73-K75 PolarHBondContact O-N 2.98Å; D73-D76 PolarHBondContact O-N 3.41Å; D73-T77 VanDerWaalsContact O-CB 3.26Å; D73-T77 WeakPolarHBondContact O-CB 3.26Å; D73-T77 PolarHBondContact O-N 3.2Å; D73-T77 PolarHBondContact O-OG1 3.29Å |
| 74 | L | 84.6 | Confident | 78.5 | Confident | 54 Ų | 54 | 56.7 Ų | 56.7 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 174.2 | -178.3 | 70.1 | 0 | 0 | 0 | 112 | E47 L51 K70 K72 T78 | E47-L74 HydrophobicContact CB-CD2 4.03Å; E47-L74 HydrophobicContact CG-CD2 4.16Å; L51-L74 HydrophobicContact CD1-CD2 4.29Å; K70-L74 WeakPolarHBondContact O-CB 3.44Å; K70-L74 PolarHBondContact O-N 2.98Å; K72-L74 VanDerWaalsContact C-N 3.34Å; K72-L74 PolarHBondContact O-N 2.83Å; L74-T78 WeakPolarHBondContact O-CB 3.3Å; L74-T78 PolarHBondContact O-N 3.07Å; L74-T78 PolarHBondContact O-OG1 3.1Å |
| 75 | K | 82.6 | Confident | 76.4 | Confident | 50 Ų | 50 | 61 Ų | 61 | 22% | 0.217 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.5 | -38.1 | -179.4 | -69.9 | -68.3 | 155.3 | -175.9 | 0 | 112.4 | V41 S42 V43 E47 A71 K72 D73 T78 K79 | V41-K75 HydrophobicContact CG1-CG 4.24Å; S42-K75 WeakPolarHBondContact O-CE 3.44Å; S42-K75 PolarHBondContact O-NZ 3.4Å; V43-K75 HydrophobicContact CG1-CG 4.3Å; E47-K75 VanDerWaalsContact CD-NZ 3.33Å; E47-K75 IonicContact OE1-NZ 3.93Å; E47-K75 PolarHBondContact OE1-NZ 2.82Å; E47-K75 WeakPolarHBondContact OE2-CE 3.47Å; E47-K75 IonicContact OE2-NZ 2.84Å; E47-K75 PolarHBondContact OE2-NZ 3.22Å; A71-K75 WeakPolarHBondContact O-CG 3.47Å; A71-K75 PolarHBondContact O-N 3Å; A71-K75 VanDerWaalsContact O-N 3.13Å; K72-K75 PolarHBondContact O-N 3.05Å; K72-K75 VanDerWaalsContact O-N 3.12Å; D73-K75 PolarHBondContact O-N 2.98Å; K75-T78 PolarHBondContact O-N 2.68Å; K75-K79 WeakPolarHBondContact O-CB 3.37Å; K75-K79 VanDerWaalsContact O-CG 3.3Å; K75-K79 WeakPolarHBondContact O-CG 3.41Å; K75-K79 PolarHBondContact O-N 3.48Å |
| 76 | D | 75.7 | Confident | 74.4 | Confident | 75 Ų | 75 | 65.9 Ų | 65.9 | 40% | 0.401 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66 | -43.1 | 175.7 | -70.3 | -19.8 | 0 | 0 | 0 | 110.5 | K72 D73 K79 A80 | K72-D76 PolarHBondContact O-N 2.95Å; D73-D76 PolarHBondContact O-N 3.41Å; D76-K79 PolarHBondContact O-N 3.26Å; D76-A80 WeakPolarHBondContact O-CB 3.42Å; D76-A80 PolarHBondContact O-N 3.28Å |
| 77 | T | 73 | Confident | 72.3 | Confident | 61 Ų | 61 | 63 Ų | 63 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 173.7 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | D73 K79 A80 I81 | D73-T77 VanDerWaalsContact O-CB 3.26Å; D73-T77 WeakPolarHBondContact O-CB 3.26Å; D73-T77 PolarHBondContact O-N 3.2Å; D73-T77 PolarHBondContact O-OG1 3.29Å; T77-K79 PolarHBondContact O-N 2.92Å; T77-A80 PolarHBondContact O-N 2.83Å; T77-I81 HydrophobicContact CG2-CD1 3.82Å; T77-I81 HydrophobicContact CG2-CG1 4.39Å; T77-I81 VanDerWaalsContact O-CG1 3.3Å; T77-I81 WeakPolarHBondContact O-CG1 3.46Å; T77-I81 PolarHBondContact O-N 3.3Å |
| 78 | T | 68.7 | Low | 69.9 | Low | 58 Ų | 58 | 70.9 Ų | 70.9 | 36% | 0.356 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 178.4 | -56.6 | 0 | 0 | 0 | 0 | 111 | L74 K75 A80 I81 S82 | L74-T78 WeakPolarHBondContact O-CB 3.3Å; L74-T78 PolarHBondContact O-N 3.07Å; L74-T78 PolarHBondContact O-OG1 3.1Å; K75-T78 PolarHBondContact O-N 2.68Å; T78-A80 VanDerWaalsContact C-N 3.33Å; T78-A80 PolarHBondContact O-N 3.27Å; T78-I81 PolarHBondContact O-N 3.42Å; T78-S82 WeakPolarHBondContact O-CB 3.47Å; T78-S82 PolarHBondContact O-N 3.09Å; T78-S82 PolarHBondContact O-OG 2.9Å; T78-S82 VanDerWaalsContact O-OG 3.1Å |
| 79 | K | 67.5 | Low | 67.3 | Low | 146 Ų | 146 | 76.5 Ų | 76.5 | 64% | 0.635 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60 | -42.8 | 174.1 | -76.5 | 174.4 | -176.9 | 172.6 | 0 | 111.4 | K75 D76 T77 K83 | K75-K79 WeakPolarHBondContact O-CB 3.37Å; K75-K79 VanDerWaalsContact O-CG 3.3Å; K75-K79 WeakPolarHBondContact O-CG 3.41Å; K75-K79 PolarHBondContact O-N 3.48Å; D76-K79 PolarHBondContact O-N 3.26Å; T77-K79 PolarHBondContact O-N 2.92Å; K79-K83 WeakPolarHBondContact O-CB 3.17Å; K79-K83 PolarHBondContact O-N 2.98Å |
| 80 | A | 60.9 | Low | 64.9 | Low | 39 Ų | 39 | 74.6 Ų | 74.6 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D76 T77 T78 A84 | D76-A80 WeakPolarHBondContact O-CB 3.42Å; D76-A80 PolarHBondContact O-N 3.28Å; T77-A80 PolarHBondContact O-N 2.83Å; T78-A80 VanDerWaalsContact C-N 3.33Å; T78-A80 PolarHBondContact O-N 3.27Å; A80-A84 WeakPolarHBondContact O-CB 3.47Å; A80-A84 PolarHBondContact O-N 3.11Å |
| 81 | I | 61.7 | Low | 62.5 | Low | 92 Ų | 92 | 77.7 Ų | 77.7 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.6 | -47 | 176.2 | -68.8 | 168.4 | 0 | 0 | 0 | 111.1 | T77 T78 K83 A84 L85 | T77-I81 HydrophobicContact CG2-CD1 3.82Å; T77-I81 HydrophobicContact CG2-CG1 4.39Å; T77-I81 VanDerWaalsContact O-CG1 3.3Å; T77-I81 WeakPolarHBondContact O-CG1 3.46Å; T77-I81 PolarHBondContact O-N 3.3Å; T78-I81 PolarHBondContact O-N 3.42Å; I81-K83 VanDerWaalsContact C-N 3.33Å; I81-K83 PolarHBondContact O-N 3.4Å; I81-A84 CarbonylContact O-C 3.39Å; I81-A84 PolarHBondContact O-N 3.16Å; I81-A84 VanDerWaalsContact O-N 3.14Å; I81-L85 HydrophobicContact CG2-CD1 3.71Å; I81-L85 HydrophobicContact CG2-CG 4.45Å; I81-L85 WeakPolarHBondContact O-CB 3.47Å; I81-L85 PolarHBondContact O-N 3.24Å |
| 82 | S | 55.9 | Low | 60.3 | Low | 58 Ų | 58 | 79.1 Ų | 79.1 | 41% | 0.406 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 176.1 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | T78 A84 L85 L86 | T78-S82 WeakPolarHBondContact O-CB 3.47Å; T78-S82 PolarHBondContact O-N 3.09Å; T78-S82 PolarHBondContact O-OG 2.9Å; T78-S82 VanDerWaalsContact O-OG 3.1Å; S82-A84 VanDerWaalsContact C-N 3.34Å; S82-A84 PolarHBondContact O-N 3.11Å; S82-L85 PolarHBondContact O-N 3.36Å; S82-L86 WeakPolarHBondContact O-CB 3.5Å; S82-L86 WeakPolarHBondContact O-CD1 3.38Å; S82-L86 WeakPolarHBondContact O-CG 3.27Å; S82-L86 PolarHBondContact O-N 3.41Å |
| 83 | K | 54.3 | Low | 58.3 | Low | 100 Ų | 100 | 77.9 Ų | 77.9 | 44% | 0.435 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 174 | -170.7 | 178.3 | 179.9 | -174.5 | 0 | 111.2 | K79 I81 L87 R106 | K79-K83 WeakPolarHBondContact O-CB 3.17Å; K79-K83 PolarHBondContact O-N 2.98Å; I81-K83 VanDerWaalsContact C-N 3.33Å; I81-K83 PolarHBondContact O-N 3.4Å; K83-L87 HydrophobicContact CG-CD1 3.92Å; K83-L87 VanDerWaalsContact O-CB 3.29Å; K83-L87 WeakPolarHBondContact O-CB 3.41Å; K83-L87 WeakPolarHBondContact O-CD1 3.5Å; K83-L87 WeakPolarHBondContact O-CG 3.48Å; K83-L87 PolarHBondContact O-N 2.87Å; K83-R106 PolarHBondContact NZ-O 2.91Å |
| 84 | A | 52.6 | Low | 56.6 | Low | 21 Ų | 21 | 76.8 Ų | 76.8 | 17% | 0.174 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.7 | -36 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A80 I81 S82 K88 | A80-A84 WeakPolarHBondContact O-CB 3.47Å; A80-A84 PolarHBondContact O-N 3.11Å; I81-A84 CarbonylContact O-C 3.39Å; I81-A84 PolarHBondContact O-N 3.16Å; I81-A84 VanDerWaalsContact O-N 3.14Å; S82-A84 VanDerWaalsContact C-N 3.34Å; S82-A84 PolarHBondContact O-N 3.11Å; A84-K88 WeakPolarHBondContact O-CB 3.35Å; A84-K88 PolarHBondContact O-N 3.13Å |
| 85 | L | 49.3 | Very low | 54.8 | Low | 91 Ų | 91 | 76.9 Ų | 76.9 | 48% | 0.476 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.5 | -46.1 | 174.7 | -83.4 | 158.9 | 0 | 0 | 0 | 111 | I81 S82 L87 K88 H89 | I81-L85 HydrophobicContact CG2-CD1 3.71Å; I81-L85 HydrophobicContact CG2-CG 4.45Å; I81-L85 WeakPolarHBondContact O-CB 3.47Å; I81-L85 PolarHBondContact O-N 3.24Å; S82-L85 PolarHBondContact O-N 3.36Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L85-L87 PolarHBondContact O-N 3.45Å; L85-K88 PolarHBondContact O-N 3.26Å; L85-H89 PolarHBondContact O-CD2 3.37Å; L85-H89 PolarHBondContact O-N 3.41Å |
| 86 | L | 51.4 | Low | 53.1 | Low | 133 Ų | 133 | 77 Ų | 77 | 70% | 0.696 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -57.7 | -44.7 | 173.3 | -77.4 | 161.4 | 0 | 0 | 0 | 111.4 | S82 H89 | S82-L86 WeakPolarHBondContact O-CB 3.5Å; S82-L86 WeakPolarHBondContact O-CD1 3.38Å; S82-L86 WeakPolarHBondContact O-CG 3.27Å; S82-L86 PolarHBondContact O-N 3.41Å; L86-H89 PolarHBondContact O-N 3.18Å |
| 87 | L | 45.9 | Very low | 51.4 | Low | 29 Ų | 29 | 78.7 Ų | 78.7 | 15% | 0.152 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -70.2 | -29.8 | 177.3 | -71.5 | 167.1 | 0 | 0 | 0 | 113.3 | K83 L85 H89 A90 V93 R106 S108 | K83-L87 HydrophobicContact CG-CD1 3.92Å; K83-L87 VanDerWaalsContact O-CB 3.29Å; K83-L87 WeakPolarHBondContact O-CB 3.41Å; K83-L87 WeakPolarHBondContact O-CD1 3.5Å; K83-L87 WeakPolarHBondContact O-CG 3.48Å; K83-L87 PolarHBondContact O-N 2.87Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L85-L87 PolarHBondContact O-N 3.45Å; L87-H89 VanDerWaalsContact C-N 3.3Å; L87-H89 PolarHBondContact O-N 3.26Å; L87-A90 PolarHBondContact O-N 3.45Å; L87-V93 HydrophobicContact CD2-CG1 3.46Å; L87-V93 VanDerWaalsContact CD2-CG1 3.46Å; L87-R106 HydrophobicContact CD1-CB 4.29Å; L87-S108 WeakPolarHBondContact CD2-OG 3.18Å |
| 88 | K | 43.1 | Very low | 49.9 | Very low | 172 Ų | 172 | 78.2 Ų | 78.2 | 75% | 0.748 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.2 | -26.8 | 178.2 | -106.7 | -172.6 | 172.6 | -174.8 | 0 | 113.1 | A84 L85 | A84-K88 WeakPolarHBondContact O-CB 3.35Å; A84-K88 PolarHBondContact O-N 3.13Å; L85-K88 PolarHBondContact O-N 3.26Å |
| 89 | H | 39.6 | Very low | 48.7 | Very low | 124 Ų | 124 | 78.3 Ų | 78.3 | 57% | 0.574 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -92 | -8.7 | 179.6 | -70.4 | -63.3 | 0 | 0 | 0 | 113.7 | L85 L86 L87 E91 N355 | L85-H89 PolarHBondContact O-CD2 3.37Å; L85-H89 PolarHBondContact O-N 3.41Å; L86-H89 PolarHBondContact O-N 3.18Å; L87-H89 VanDerWaalsContact C-N 3.3Å; L87-H89 PolarHBondContact O-N 3.26Å; H89-E91 PolarHBondContact O-N 2.6Å; H89-N355 PolarHBondContact O-ND2 3.07Å |
| 90 | A | 40.3 | Very low | 47.4 | Very low | 15 Ų | 15 | 81.5 Ų | 81.5 | 12% | 0.124 | 44% | 0.435 | C | S | . | . | trans | -88.4 | 91.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L87 D92 V93 | L87-A90 PolarHBondContact O-N 3.45Å; A90-D92 PolarHBondContact O-N 3.08Å; A90-V93 HydrophobicContact CB-CB 3.7Å; A90-V93 HydrophobicContact CB-CG2 3.62Å; A90-V93 PolarHBondContact O-N 2.98Å | ||
| 91 | E | 39.2 | Very low | 46.5 | Very low | 170 Ų | 170 | 86.8 Ų | 86.8 | 79% | 0.794 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -23.7 | -179.4 | -66.5 | -175.1 | 161.8 | 0 | 0 | 113.3 | H89 | H89-E91 PolarHBondContact O-N 2.6Š|
| 92 | D | 45 | Very low | 45.4 | Very low | 31 Ų | 31 | 87.2 Ų | 87.2 | 17% | 0.166 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -0.9 | 179.7 | -90 | -6.7 | 0 | 0 | 0 | 115 | A90 K111 N356 R359 | A90-D92 PolarHBondContact O-N 3.08Å; D92-K111 PolarHBondContact O-N 3.34Å; D92-N356 PolarHBondContact OD2-OD1 3.15Å; D92-R359 IonicContact OD2-CZ 3.35Å; D92-R359 IonicContact OD2-NH2 3.25Å; D92-R359 PolarHBondContact OD2-NH2 2.96Å |
| 93 | V | 47.5 | Very low | 44.6 | Very low | 20 Ų | 20 | 90.3 Ų | 90.3 | 12% | 0.121 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 93.2 | -169.2 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | L87 A90 S95 S108 | L87-V93 HydrophobicContact CD2-CG1 3.46Å; L87-V93 VanDerWaalsContact CD2-CG1 3.46Å; A90-V93 HydrophobicContact CB-CB 3.7Å; A90-V93 HydrophobicContact CB-CG2 3.62Å; A90-V93 PolarHBondContact O-N 2.98Å; V93-S95 PolarHBondContact O-N 3.11Å; V93-S108 WeakPolarHBondContact CG1-OG 3.45Å |
| 94 | K | 49.8 | Very low | 44.1 | Very low | 74 Ų | 74 | 92.6 Ų | 92.6 | 32% | 0.322 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 117.6 | 173.9 | -76.7 | 179.3 | 172.3 | 168.1 | 0 | 109.6 | F96 S108 K111 D143 | K94-F96 HydrophobicContact CB-CD2 4.31Å; K94-F96 HydrophobicContact CB-CE1 4.25Å; K94-F96 HydrophobicContact CB-CE2 3.37Å; K94-F96 HydrophobicContact CB-CZ 3.34Å; K94-F96 HydrophobicContact CD-CE1 4.32Å; K94-F96 HydrophobicContact CD-CE2 4.44Å; K94-F96 HydrophobicContact CD-CZ 3.62Å; K94-F96 HydrophobicContact CG-CZ 4.12Å; K94-F96 VanDerWaalsContact O-CD2 3.26Å; K94-F96 WeakPolarHBondContact O-CD2 3.39Å; K94-F96 WeakPolarHBondContact O-CE2 3.37Å; K94-S108 VanDerWaalsContact O-CA 3.24Å; K94-S108 WeakPolarHBondContact O-CA 3.5Å; K94-S108 WeakPolarHBondContact O-CB 3.3Å; K94-K111 VanDerWaalsContact CE-CE 3.46Å; K94-D143 IonicContact NZ-OD1 3.37Å; K94-D143 PolarHBondContact NZ-OD1 2.97Å; K94-D143 IonicContact NZ-OD2 2.72Å |
| 95 | S | 46.3 | Very low | 43.7 | Very low | 56 Ų | 56 | 95.6 Ų | 95.6 | 39% | 0.392 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 133.6 | 169.1 | 65.2 | 0 | 0 | 0 | 0 | 110.8 | V93 H107 | V93-S95 PolarHBondContact O-N 3.11Å; S95-H107 WeakPolarHBondContact CA-O 3.39Å |
| 96 | F | 47.5 | Very low | 43.8 | Very low | 52 Ų | 52 | 96.6 Ų | 96.6 | 23% | 0.228 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 141.3 | 177 | -56.7 | -87.5 | 0 | 0 | 0 | 111.6 | K94 H107 V109 R216 | K94-F96 HydrophobicContact CB-CD2 4.31Å; K94-F96 HydrophobicContact CB-CE1 4.25Å; K94-F96 HydrophobicContact CB-CE2 3.37Å; K94-F96 HydrophobicContact CB-CZ 3.34Å; K94-F96 HydrophobicContact CD-CE1 4.32Å; K94-F96 HydrophobicContact CD-CE2 4.44Å; K94-F96 HydrophobicContact CD-CZ 3.62Å; K94-F96 HydrophobicContact CG-CZ 4.12Å; K94-F96 VanDerWaalsContact O-CD2 3.26Å; K94-F96 WeakPolarHBondContact O-CD2 3.39Å; K94-F96 WeakPolarHBondContact O-CE2 3.37Å; F96-H107 PolarHBondContact N-O 3.02Å; F96-V109 HydrophobicContact CE2-CG2 3.85Å; F96-R216 VanDerWaalsContact CZ-CZ 3.45Å |
| 97 | T | 39.4 | Very low | 44.3 | Very low | 111 Ų | 111 | 93.8 Ų | 93.8 | 68% | 0.681 | 49% | 0.492 | S | S | * | . | trans | -102 | 124.8 | 166.4 | 46.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 98 | V | 42 | Very low | 45.3 | Very low | 50 Ų | 50 | 94.4 Ų | 94.4 | 30% | 0.303 | 50% | 0.498 | S | S | . | . | trans | -96.7 | 99.6 | 179.5 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | D102 K215 | V98-D102 VanDerWaalsContact O-CB 3.25Å; V98-D102 WeakPolarHBondContact O-CB 3.3Å; V98-K215 HydrophobicContact CG1-CG 4.24Å; V98-K215 HydrophobicContact CG2-CG 4.26Å | ||
| 99 | G | 42.6 | Very low | 47.2 | Very low | 60 Ų | 60 | 86.6 Ų | 86.6 | 62% | 0.619 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 82.9 | 156.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | N101 | G99-N101 PolarHBondContact O-N 3.14Å; G99-N101 VanDerWaalsContact O-N 3.17Å |
| 100 | K | 40.6 | Very low | 49.4 | Very low | 213 Ų | 213 | 80.8 Ų | 80.8 | 93% | 0.926 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -9.6 | -175.8 | -79.4 | -178.8 | 173.4 | 179.6 | 0 | 114.9 | ||
| 101 | N | 42 | Very low | 51.7 | Low | 150 Ų | 150 | 84.4 Ų | 84.4 | 80% | 0.802 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | -1.3 | -171.9 | -66.3 | -0.5 | 0 | 0 | 0 | 114 | G99 T103 | G99-N101 PolarHBondContact O-N 3.14Å; G99-N101 VanDerWaalsContact O-N 3.17Å; N101-T103 PolarHBondContact O-N 3.33Å |
| 102 | D | 39.7 | Very low | 54.1 | Low | 101 Ų | 101 | 76.4 Ų | 76.4 | 54% | 0.54 | 41% | 0.414 | S | S | . | . | trans | -96.2 | 86.8 | 179.4 | -136.7 | 6.9 | 0 | 0 | 0 | 108.2 | V98 | V98-D102 VanDerWaalsContact O-CB 3.25Å; V98-D102 WeakPolarHBondContact O-CB 3.3Å | ||
| 103 | T | 38 | Very low | 56.3 | Low | 124 Ų | 124 | 75.4 Ų | 75.4 | 76% | 0.761 | 41% | 0.409 | S | S | * | . | trans | -74 | 127.5 | 176.5 | 39.1 | 0 | 0 | 0 | 0 | 108.9 | N101 | N101-T103 PolarHBondContact O-N 3.33Š| ||
| 104 | D | 44.5 | Very low | 58.4 | Low | 148 Ų | 148 | 75.2 Ų | 75.2 | 79% | 0.791 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 84.8 | 4.9 | 157.1 | -90.8 | -13.4 | 0 | 0 | 0 | 124.8 | ||
| 105 | T | 44.4 | Very low | 60.5 | Low | 83 Ų | 83 | 74.5 Ų | 74.5 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | trans | -118.2 | 103.4 | 170.6 | -49.7 | 0 | 0 | 0 | 0 | 113.9 | H107 | T105-H107 VanDerWaalsContact CG2-NE2 3.29Å; T105-H107 WeakPolarHBondContact CG2-NE2 3.4Å; T105-H107 PolarHBondContact O-N 3.3Å | ||
| 106 | R | 50.2 | Low | 62.7 | Low | 112 Ų | 112 | 71.9 Ų | 71.9 | 42% | 0.423 | 38% | 0.383 | S | S | . | . | trans | -77.1 | 119.4 | 168.6 | -71 | -175.2 | -174.1 | 166.4 | 6 | 110.3 | K83 L87 | K83-R106 PolarHBondContact NZ-O 2.91Å; L87-R106 HydrophobicContact CD1-CB 4.29Å | ||
| 107 | H | 62 | Low | 65 | Low | 75 Ų | 75 | 69.4 Ų | 69.4 | 35% | 0.347 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 148.7 | 167.5 | -61.8 | -86.6 | 0 | 0 | 0 | 109.7 | S95 F96 T105 H217 | S95-H107 WeakPolarHBondContact CA-O 3.39Å; F96-H107 PolarHBondContact N-O 3.02Å; T105-H107 VanDerWaalsContact CG2-NE2 3.29Å; T105-H107 WeakPolarHBondContact CG2-NE2 3.4Å; T105-H107 PolarHBondContact O-N 3.3Å; H107-H217 HydrophobicContact CB-CB 4.09Å; H107-H217 VanDerWaalsContact CB-ND1 3.27Å; H107-H217 WeakPolarHBondContact CB-ND1 3.34Å; H107-H217 AromaticContact CD2-CE1 3.42Å; H107-H217 PolarHBondContact CD2-CE1 3.42Å; H107-H217 VanDerWaalsContact CD2-CE1 3.42Å; H107-H217 AromaticContact CD2-NE2 3.72Å; H107-H217 AromaticContact CE1-NE2 3.55Å; H107-H217 AromaticContact CG-CD2 3.79Å; H107-H217 AromaticContact CG-CE1 3.32Å; H107-H217 AromaticContact CG-CG 3.81Å; H107-H217 AromaticContact CG-ND1 3.53Å; H107-H217 AromaticContact CG-NE2 3.49Å; H107-H217 AromaticContact ND1-CD2 3.54Å; H107-H217 AromaticContact ND1-CE1 3.75Å; H107-H217 AromaticContact ND1-CG 3.96Å; H107-H217 AromaticContact ND1-NE2 3.39Å; H107-H217 PolarHBondContact ND1-NE2 3.02Å; H107-H217 AromaticContact NE2-CE1 3.88Å; H107-H217 AromaticContact NE2-NE2 3.76Å |
| 108 | S | 68.1 | Low | 67.7 | Low | 42 Ų | 42 | 64.1 Ų | 64.1 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 156.9 | -179.1 | 60.5 | 0 | 0 | 0 | 0 | 112.1 | L87 V93 K94 | L87-S108 WeakPolarHBondContact CD2-OG 3.18Å; V93-S108 WeakPolarHBondContact CG1-OG 3.45Å; K94-S108 VanDerWaalsContact O-CA 3.24Å; K94-S108 WeakPolarHBondContact O-CA 3.5Å; K94-S108 WeakPolarHBondContact O-CB 3.3Å |
| 109 | V | 82.3 | Confident | 70.2 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.7 | 177.2 | -61 | 0 | 0 | 0 | 0 | 109.3 | F96 R216 H217 L220 | F96-V109 HydrophobicContact CE2-CG2 3.85Å; V109-R216 HydrophobicContact CG1-CB 3.83Å; V109-R216 HydrophobicContact CG2-CB 4.47Å; V109-H217 HydrophobicContact CG1-CB 3.99Å; V109-L220 HydrophobicContact CB-CD2 3.73Å; V109-L220 HydrophobicContact CG1-CB 4.49Å; V109-L220 HydrophobicContact CG1-CD2 4.02Å |
| 110 | S | 86.5 | Confident | 72.7 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 125 | 173.3 | 171.8 | 0 | 0 | 0 | 0 | 109.8 | A112 E113 E114 | S110-A112 PolarHBondContact O-N 3.05Å; S110-A112 PolarHBondContact OG-N 3.19Å; S110-E113 WeakPolarHBondContact CB-OE2 3.43Å; S110-E113 PolarHBondContact O-N 2.79Å; S110-E113 PolarHBondContact OG-N 2.87Å; S110-E114 PolarHBondContact O-N 3.07Å |
| 111 | K | 87.1 | Confident | 75.4 | Confident | 91 Ų | 91 | 52 Ų | 52 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.1 | -35.7 | 172.4 | -69.8 | 176.4 | -177.1 | 160.3 | 0 | 111.8 | D92 K94 E114 R115 | D92-K111 PolarHBondContact O-N 3.34Å; K94-K111 VanDerWaalsContact CE-CE 3.46Å; K111-E114 PolarHBondContact O-N 3.44Å; K111-R115 WeakPolarHBondContact O-CB 3.41Å; K111-R115 PolarHBondContact O-N 3.14Å |
| 112 | A | 89.7 | Confident | 77.9 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 2% | 0.017 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.7 | -45.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S110 R115 G116 L362 | S110-A112 PolarHBondContact O-N 3.05Å; S110-A112 PolarHBondContact OG-N 3.19Å; A112-R115 PolarHBondContact O-N 2.89Å; A112-G116 PolarHBondContact O-N 3.26Å; A112-L362 HydrophobicContact CB-CD1 3.89Å |
| 113 | E | 91.4 | Very high | 80.5 | Confident | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -46.7 | 175.2 | -70.2 | -177.3 | 127 | 0 | 0 | 111.7 | S110 R115 G116 F117 L220 N358 R361 | S110-E113 WeakPolarHBondContact CB-OE2 3.43Å; S110-E113 PolarHBondContact O-N 2.79Å; S110-E113 PolarHBondContact OG-N 2.87Å; E113-R115 VanDerWaalsContact C-N 3.3Å; E113-R115 PolarHBondContact O-N 2.96Å; E113-G116 PolarHBondContact O-N 3.05Å; E113-F117 HydrophobicContact CB-CD2 4.34Å; E113-F117 HydrophobicContact CB-CE2 3.83Å; E113-F117 HydrophobicContact CB-CZ 3.98Å; E113-F117 HydrophobicContact CG-CE2 4.31Å; E113-F117 HydrophobicContact CG-CZ 4.06Å; E113-F117 WeakPolarHBondContact O-CB 3.39Å; E113-F117 WeakPolarHBondContact O-CD2 3.4Å; E113-F117 WeakPolarHBondContact O-CG 3.33Å; E113-F117 PolarHBondContact O-N 3.13Å; E113-L220 HydrophobicContact CB-CD2 4.1Å; E113-N358 HydrophobicContact CG-CB 4.45Å; E113-R361 WeakPolarHBondContact OE1-CD 3.27Å; E113-R361 IonicContact OE1-CZ 2.7Å; E113-R361 IonicContact OE1-NE 3.19Å; E113-R361 IonicContact OE1-NH1 3.95Å; E113-R361 PolarHBondContact OE1-NH1 3.12Å |
| 114 | E | 93.2 | Very high | 83.2 | Confident | 15 Ų | 15 | 45.5 Ų | 45.5 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.9 | -46.3 | 178.1 | -177.2 | 170.7 | 160.4 | 0 | 0 | 111.1 | S110 K111 T118 G144 L146 Y147 L220 | S110-E114 PolarHBondContact O-N 3.07Å; K111-E114 PolarHBondContact O-N 3.44Å; E114-T118 WeakPolarHBondContact O-CB 3.35Å; E114-T118 PolarHBondContact O-N 3.47Å; E114-T118 VanDerWaalsContact O-N 3.07Å; E114-T118 PolarHBondContact O-OG1 3.16Å; E114-G144 PolarHBondContact OE1-N 2.91Å; E114-L146 HydrophobicContact CG-CD2 4.37Å; E114-Y147 WeakPolarHBondContact OE1-CE2 3.48Å; E114-Y147 WeakPolarHBondContact OE2-CE2 3.24Å; E114-Y147 PolarHBondContact OE2-OH 3.45Å; E114-L220 HydrophobicContact CB-CD1 4.32Å |
| 115 | R | 92.9 | Very high | 85.7 | Confident | 59 Ų | 59 | 38.9 Ų | 38.9 | 22% | 0.223 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.5 | -53.7 | 174.8 | 175.4 | -175.1 | 62.7 | -155.7 | 1.3 | 111.9 | K111 A112 E113 F117 T118 L119 P140 A344 E346 D347 | K111-R115 WeakPolarHBondContact O-CB 3.41Å; K111-R115 PolarHBondContact O-N 3.14Å; A112-R115 PolarHBondContact O-N 2.89Å; E113-R115 VanDerWaalsContact C-N 3.3Å; E113-R115 PolarHBondContact O-N 2.96Å; R115-F117 PolarHBondContact O-N 3.48Å; R115-T118 WeakPolarHBondContact O-CB 3.1Å; R115-T118 PolarHBondContact O-N 3.1Å; R115-L119 HydrophobicContact CG-CD1 3.95Å; R115-L119 HydrophobicContact CG-CG 4.39Å; R115-L119 WeakPolarHBondContact O-CG 3.41Å; R115-L119 PolarHBondContact O-N 3.45Å; R115-P140 HydrophobicContact CB-CB 4.37Å; R115-P140 HydrophobicContact CG-CB 4.09Å; R115-A344 VanDerWaalsContact CZ-CB 3.48Å; R115-A344 VanDerWaalsContact NH2-CB 3.35Å; R115-E346 IonicContact CZ-OE1 3.25Å; R115-E346 IonicContact NH1-OE1 2.64Å; R115-E346 PolarHBondContact NH1-OE1 2.96Å; R115-E346 IonicContact NH2-OE1 3.21Å; R115-E346 PolarHBondContact NH2-OE1 3.45Å; R115-D347 IonicContact CZ-OD1 3.39Å; R115-D347 IonicContact NH2-OD1 3.5Å; R115-D347 PolarHBondContact NH2-OD1 3.25Å; R115-D347 IonicContact NH2-OD2 2.69Å; R115-D347 PolarHBondContact NH2-OD2 3.28Å |
| 116 | G | 92.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.1 | -45.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A112 E113 L119 W120 | A112-G116 PolarHBondContact O-N 3.26Å; E113-G116 PolarHBondContact O-N 3.05Å; G116-L119 PolarHBondContact O-N 2.92Å; G116-W120 WeakPolarHBondContact O-CB 3.36Å; G116-W120 PolarHBondContact O-N 2.81Å |
| 117 | F | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68 | -38 | 177 | -58.2 | -15.8 | 0 | 0 | 0 | 111.7 | E113 R115 W120 I121 L220 I223 W224 I227 F341 L362 | E113-F117 HydrophobicContact CB-CD2 4.34Å; E113-F117 HydrophobicContact CB-CE2 3.83Å; E113-F117 HydrophobicContact CB-CZ 3.98Å; E113-F117 HydrophobicContact CG-CE2 4.31Å; E113-F117 HydrophobicContact CG-CZ 4.06Å; E113-F117 WeakPolarHBondContact O-CB 3.39Å; E113-F117 WeakPolarHBondContact O-CD2 3.4Å; E113-F117 WeakPolarHBondContact O-CG 3.33Å; E113-F117 PolarHBondContact O-N 3.13Å; R115-F117 PolarHBondContact O-N 3.48Å; F117-W120 PolarHBondContact O-N 3.41Å; F117-I121 WeakPolarHBondContact O-CB 3.41Å; F117-I121 WeakPolarHBondContact O-CG1 3.38Å; F117-I121 PolarHBondContact O-N 2.92Å; F117-L220 HydrophobicContact CD2-CD1 3.58Å; F117-L220 HydrophobicContact CD2-CG 4.09Å; F117-L220 HydrophobicContact CE2-CD1 4.14Å; F117-L220 HydrophobicContact CE2-CG 4.15Å; F117-I223 HydrophobicContact CB-CG2 3.91Å; F117-I223 HydrophobicContact CD2-CG2 4.01Å; F117-I223 HydrophobicContact CG-CG2 4.16Å; F117-W224 AromaticContact CE1-CE3 3.7Å; F117-W224 HydrophobicContact CE1-CE3 3.7Å; F117-W224 HydrophobicContact CE1-CZ3 4.24Å; F117-W224 HydrophobicContact CE2-CB 3.74Å; F117-W224 HydrophobicContact CE2-CE3 4.46Å; F117-W224 HydrophobicContact CZ-CB 3.9Å; F117-W224 HydrophobicContact CZ-CD2 4.09Å; F117-W224 AromaticContact CZ-CE3 3.49Å; F117-W224 HydrophobicContact CZ-CE3 3.49Å; F117-W224 VanDerWaalsContact CZ-CE3 3.49Å; F117-W224 HydrophobicContact CZ-CG 4.28Å; F117-W224 HydrophobicContact CZ-CZ3 4.37Å; F117-I227 HydrophobicContact CB-CD1 3.91Å; F117-I227 HydrophobicContact CD1-CD1 3.44Å; F117-I227 VanDerWaalsContact CD1-CD1 3.44Å; F117-I227 HydrophobicContact CD2-CD1 4.33Å; F117-I227 HydrophobicContact CE1-CD1 4.06Å; F117-I227 HydrophobicContact CG-CD1 3.63Å; F117-F341 HydrophobicContact CD1-CZ 4.32Å; F117-L362 HydrophobicContact CD1-CD2 4.22Å; F117-L362 HydrophobicContact CE1-CD2 3.9Å |
| 118 | T | 95.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.3 | -48.5 | 174.5 | -66.8 | 0 | 0 | 0 | 0 | 111.9 | E114 R115 W120 I121 N122 V138 P140 | E114-T118 WeakPolarHBondContact O-CB 3.35Å; E114-T118 PolarHBondContact O-N 3.47Å; E114-T118 VanDerWaalsContact O-N 3.07Å; E114-T118 PolarHBondContact O-OG1 3.16Å; R115-T118 WeakPolarHBondContact O-CB 3.1Å; R115-T118 PolarHBondContact O-N 3.1Å; T118-W120 VanDerWaalsContact C-N 3.35Å; T118-W120 PolarHBondContact O-N 3.21Å; T118-I121 PolarHBondContact O-N 3.12Å; T118-N122 PolarHBondContact O-N 2.96Å; T118-V138 HydrophobicContact CG2-CB 3.75Å; T118-V138 HydrophobicContact CG2-CG1 3.59Å; T118-V138 VanDerWaalsContact CG2-O 3.29Å; T118-V138 WeakPolarHBondContact CG2-O 3.24Å; T118-P140 HydrophobicContact CG2-CB 3.95Å; T118-P140 HydrophobicContact CG2-CG 4.48Å |
| 119 | L | 94.2 | Very high | 93.1 | Very high | 59 Ų | 59 | 39.2 Ų | 39.2 | 31% | 0.309 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 178.5 | -68.9 | 175.5 | 0 | 0 | 0 | 111.6 | R115 G116 N122 K123 P140 | R115-L119 HydrophobicContact CG-CD1 3.95Å; R115-L119 HydrophobicContact CG-CG 4.39Å; R115-L119 WeakPolarHBondContact O-CG 3.41Å; R115-L119 PolarHBondContact O-N 3.45Å; G116-L119 PolarHBondContact O-N 2.92Å; L119-N122 PolarHBondContact O-N 3.02Å; L119-K123 WeakPolarHBondContact O-CB 3.06Å; L119-K123 PolarHBondContact O-N 3.22Å; L119-P140 HydrophobicContact CD2-CG 4.09Å |
| 120 | W | 95.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 3% | 0.03 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 174.9 | 177.2 | 79.4 | 0 | 0 | 0 | 112.2 | G116 F117 T118 K123 R124 L159 V162 I227 F341 | G116-W120 WeakPolarHBondContact O-CB 3.36Å; G116-W120 PolarHBondContact O-N 2.81Å; F117-W120 PolarHBondContact O-N 3.41Å; T118-W120 VanDerWaalsContact C-N 3.35Å; T118-W120 PolarHBondContact O-N 3.21Å; W120-K123 PolarHBondContact O-N 3.47Å; W120-R124 HydrophobicContact CZ2-CG 4.17Å; W120-R124 WeakPolarHBondContact O-CB 3.48Å; W120-R124 PolarHBondContact O-N 3.19Å; W120-L159 HydrophobicContact CH2-CD2 4.13Å; W120-L159 HydrophobicContact CZ3-CD2 3.63Å; W120-V162 HydrophobicContact CH2-CG1 3.72Å; W120-V162 HydrophobicContact CZ2-CG1 3.97Å; W120-I227 HydrophobicContact CD2-CD1 4.21Å; W120-I227 HydrophobicContact CD2-CG1 4.08Å; W120-I227 HydrophobicContact CE3-CD1 3.64Å; W120-I227 HydrophobicContact CE3-CG1 3.52Å; W120-I227 HydrophobicContact CH2-CG1 3.7Å; W120-I227 HydrophobicContact CZ2-CG1 4.23Å; W120-I227 HydrophobicContact CZ3-CD1 3.92Å; W120-I227 HydrophobicContact CZ3-CG1 3.31Å; W120-F341 HydrophobicContact CB-CD2 3.86Å; W120-F341 HydrophobicContact CB-CE2 3.93Å; W120-F341 AromaticContact CD1-CD2 3.23Å; W120-F341 AromaticContact CD1-CG 3.91Å; W120-F341 HydrophobicContact CD2-CD2 4.42Å; W120-F341 AromaticContact CG-CD2 3.56Å; W120-F341 HydrophobicContact CG-CD2 3.56Å; W120-F341 AromaticContact CG-CE2 3.92Å; W120-F341 HydrophobicContact CG-CE2 3.92Å; W120-F341 HydrophobicContact CG-CG 4.45Å; W120-F341 AromaticContact NE1-CD2 3.87Å |
| 121 | I | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.6 | -51 | 176 | -70.9 | 166.7 | 0 | 0 | 0 | 110.3 | F117 T118 K123 R124 L125 L136 L146 L155 L159 I223 | F117-I121 WeakPolarHBondContact O-CB 3.41Å; F117-I121 WeakPolarHBondContact O-CG1 3.38Å; F117-I121 PolarHBondContact O-N 2.92Å; T118-I121 PolarHBondContact O-N 3.12Å; I121-K123 VanDerWaalsContact C-N 3.3Å; I121-K123 PolarHBondContact O-N 3.34Å; I121-R124 PolarHBondContact O-N 3.08Å; I121-L125 WeakPolarHBondContact O-CB 3.38Å; I121-L125 PolarHBondContact O-N 3.28Å; I121-L136 HydrophobicContact CG2-CD2 3.81Å; I121-L146 HydrophobicContact CD1-CD1 3.75Å; I121-L155 HydrophobicContact CG2-CD1 3.9Å; I121-L155 HydrophobicContact CG2-CD2 4.48Å; I121-L159 HydrophobicContact CD1-CD1 4.04Å; I121-L159 HydrophobicContact CG1-CD1 4.24Å; I121-L159 HydrophobicContact CG1-CD2 4.16Å; I121-I223 HydrophobicContact CD1-CD1 4.24Å; I121-I223 HydrophobicContact CD1-CG2 4.11Å |
| 122 | N | 96.2 | Very high | 94.3 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 16% | 0.16 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.8 | -43.8 | -180 | -73.4 | -21.5 | 0 | 0 | 0 | 111.8 | T118 L119 G126 P137 V138 | T118-N122 PolarHBondContact O-N 2.96Å; L119-N122 PolarHBondContact O-N 3.02Å; N122-G126 WeakPolarHBondContact O-CA 3.07Å; N122-G126 PolarHBondContact O-N 3.45Å; N122-P137 WeakPolarHBondContact OD1-CA 3.45Å; N122-V138 PolarHBondContact ND2-O 3.45Å; N122-V138 PolarHBondContact OD1-N 2.94Å |
| 123 | K | 94.1 | Very high | 94.3 | Very high | 95 Ų | 95 | 49 Ų | 49 | 41% | 0.413 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.6 | -41.3 | 179.3 | -172.4 | 163 | -174.3 | 169.2 | 0 | 112 | L119 W120 I121 G338 T339 | L119-K123 WeakPolarHBondContact O-CB 3.06Å; L119-K123 PolarHBondContact O-N 3.22Å; W120-K123 PolarHBondContact O-N 3.47Å; I121-K123 VanDerWaalsContact C-N 3.3Å; I121-K123 PolarHBondContact O-N 3.34Å; K123-G338 PolarHBondContact NZ-O 3.32Å; K123-T339 WeakPolarHBondContact CE-O 3.37Å; K123-T339 PolarHBondContact NZ-O 2.63Å |
| 124 | R | 95 | Very high | 94.1 | Very high | 115 Ų | 115 | 50.5 Ų | 50.5 | 43% | 0.434 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -76.4 | -34.5 | -175.1 | -173.4 | 56.4 | 175 | -174.1 | 0 | 113.2 | W120 I121 H127 V162 | W120-R124 HydrophobicContact CZ2-CG 4.17Å; W120-R124 WeakPolarHBondContact O-CB 3.48Å; W120-R124 PolarHBondContact O-N 3.19Å; I121-R124 PolarHBondContact O-N 3.08Å; R124-H127 PolarHBondContact O-CE1 3.44Å; R124-H127 PolarHBondContact O-ND1 3.41Å; R124-V162 HydrophobicContact CG-CG1 3.8Å; R124-V162 HydrophobicContact CG-CG2 4.28Å |
| 125 | L | 96.7 | Very high | 94.2 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -118.5 | 0.5 | -173.1 | -74.9 | 175.6 | 0 | 0 | 0 | 114 | I121 H127 D128 L131 L136 L155 K158 L159 V162 | I121-L125 WeakPolarHBondContact O-CB 3.38Å; I121-L125 PolarHBondContact O-N 3.28Å; L125-H127 PolarHBondContact O-N 2.89Å; L125-D128 WeakPolarHBondContact O-CB 3.48Å; L125-D128 PolarHBondContact O-N 3.35Å; L125-L131 HydrophobicContact CB-CD1 3.86Å; L125-L131 HydrophobicContact CD1-CD1 3.93Å; L125-L131 HydrophobicContact CD2-CD1 4.32Å; L125-L131 HydrophobicContact CG-CD1 4.27Å; L125-L136 HydrophobicContact CB-CD1 3.65Å; L125-L155 HydrophobicContact CD1-CD1 3.92Å; L125-K158 HydrophobicContact CD1-CB 4.15Å; L125-K158 HydrophobicContact CD2-CB 4.43Å; L125-L159 HydrophobicContact CD1-CD2 3.67Å; L125-L159 HydrophobicContact CD1-CG 4Å; L125-V162 HydrophobicContact CD1-CG2 4.34Å; L125-V162 HydrophobicContact CD2-CG2 3.66Å; L125-V162 HydrophobicContact CG-CG2 4.08Å |
| 126 | G | 95.1 | Very high | 94.4 | Very high | 32 Ų | 32 | 48 Ų | 48 | 33% | 0.33 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -15.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | N122 Q132 | N122-G126 WeakPolarHBondContact O-CA 3.07Å; N122-G126 PolarHBondContact O-N 3.45Å; G126-Q132 PolarHBondContact O-NE2 3.16Å; G126-Q132 VanDerWaalsContact O-NE2 3.08Å |
| 127 | H | 94.9 | Very high | 94.6 | Very high | 144 Ų | 144 | 52.8 Ų | 52.8 | 67% | 0.667 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -9.1 | 174.2 | 65.3 | -89.9 | 0 | 0 | 0 | 113.6 | R124 L125 V129 | R124-H127 PolarHBondContact O-CE1 3.44Å; R124-H127 PolarHBondContact O-ND1 3.41Å; L125-H127 PolarHBondContact O-N 2.89Å; H127-V129 PolarHBondContact O-N 3.23Å |
| 128 | D | 96.2 | Very high | 94.7 | Very high | 28 Ų | 28 | 52.8 Ų | 52.8 | 15% | 0.15 | 29% | 0.285 | C | S | . | . | trans | -75.8 | 112 | 177.5 | -171 | -48.5 | 0 | 0 | 0 | 109.8 | L125 E130 L131 Q132 K158 | L125-D128 WeakPolarHBondContact O-CB 3.48Å; L125-D128 PolarHBondContact O-N 3.35Å; D128-E130 VanDerWaalsContact C-N 3.25Å; D128-E130 PolarHBondContact O-N 2.93Å; D128-E130 VanDerWaalsContact OD1-CB 3.32Å; D128-E130 WeakPolarHBondContact OD1-CB 3.33Å; D128-E130 PolarHBondContact OD1-N 3.27Å; D128-L131 HydrophobicContact CB-CB 4.28Å; D128-L131 HydrophobicContact CB-CD1 3.96Å; D128-L131 HydrophobicContact CB-CG 4.05Å; D128-L131 PolarHBondContact O-N 3.14Å; D128-L131 VanDerWaalsContact O-N 3.09Å; D128-L131 PolarHBondContact OD1-N 3.1Å; D128-Q132 PolarHBondContact O-N 2.92Å; D128-K158 IonicContact OD1-NZ 3.79Å; D128-K158 WeakPolarHBondContact OD2-CD 3.39Å; D128-K158 VanDerWaalsContact OD2-CE 3.3Å; D128-K158 WeakPolarHBondContact OD2-CE 3.35Å; D128-K158 IonicContact OD2-NZ 2.73Å; D128-K158 PolarHBondContact OD2-NZ 3.24Å | ||
| 129 | V | 94.3 | Very high | 94.7 | Very high | 115 Ų | 115 | 56.2 Ų | 56.2 | 70% | 0.697 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.4 | -34.7 | -175.9 | 179.9 | 0 | 0 | 0 | 0 | 112.2 | H127 L131 Q132 | H127-V129 PolarHBondContact O-N 3.23Å; V129-L131 VanDerWaalsContact C-N 3.28Å; V129-L131 PolarHBondContact O-N 3.16Å; V129-Q132 PolarHBondContact O-N 3.45Å |
| 130 | E | 91.8 | Very high | 94.6 | Very high | 52 Ų | 52 | 56 Ų | 56 | 24% | 0.243 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.7 | -32.2 | 179.8 | 178.1 | 175.1 | -153.1 | 0 | 0 | 111.6 | D128 I154 K158 R175 | D128-E130 VanDerWaalsContact C-N 3.25Å; D128-E130 PolarHBondContact O-N 2.93Å; D128-E130 VanDerWaalsContact OD1-CB 3.32Å; D128-E130 WeakPolarHBondContact OD1-CB 3.33Å; D128-E130 PolarHBondContact OD1-N 3.27Å; E130-I154 HydrophobicContact CG-CG2 4.42Å; E130-K158 WeakPolarHBondContact OE2-CE 3.39Å; E130-K158 IonicContact OE2-NZ 2.63Å; E130-K158 PolarHBondContact OE2-NZ 3.42Å; E130-R175 WeakPolarHBondContact OE1-CD 3.4Å; E130-R175 VanDerWaalsContact OE1-CG 3.25Å; E130-R175 WeakPolarHBondContact OE1-CG 3.49Å; E130-R175 IonicContact OE1-CZ 3.95Å; E130-R175 IonicContact OE1-NE 3.55Å; E130-R175 PolarHBondContact OE1-NE 3.05Å; E130-R175 IonicContact OE1-NH2 3.88Å; E130-R175 IonicContact OE2-CZ 3.15Å; E130-R175 IonicContact OE2-NE 3.69Å; E130-R175 IonicContact OE2-NH2 2.72Å |
| 131 | L | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -82.7 | -15.8 | -178.2 | -60.9 | -178.1 | 0 | 0 | 0 | 113.1 | L125 D128 V129 D133 I135 L136 I154 L155 K158 | L125-L131 HydrophobicContact CB-CD1 3.86Å; L125-L131 HydrophobicContact CD1-CD1 3.93Å; L125-L131 HydrophobicContact CD2-CD1 4.32Å; L125-L131 HydrophobicContact CG-CD1 4.27Å; D128-L131 HydrophobicContact CB-CB 4.28Å; D128-L131 HydrophobicContact CB-CD1 3.96Å; D128-L131 HydrophobicContact CB-CG 4.05Å; D128-L131 PolarHBondContact O-N 3.14Å; D128-L131 VanDerWaalsContact O-N 3.09Å; D128-L131 PolarHBondContact OD1-N 3.1Å; V129-L131 VanDerWaalsContact C-N 3.28Å; V129-L131 PolarHBondContact O-N 3.16Å; L131-D133 VanDerWaalsContact C-N 3.26Å; L131-D133 PolarHBondContact O-N 3.37Å; L131-I135 HydrophobicContact CD2-CB 4.36Å; L131-I135 HydrophobicContact CD2-CD1 3.82Å; L131-I135 HydrophobicContact CD2-CG2 4.14Å; L131-I135 CarbonylContact O-C 3.57Å; L131-I135 WeakPolarHBondContact O-CB 3.37Å; L131-I135 PolarHBondContact O-N 2.97Å; L131-L136 HydrophobicContact CB-CB 4.38Å; L131-L136 HydrophobicContact CB-CD1 3.8Å; L131-L136 HydrophobicContact CB-CG 3.96Å; L131-L136 HydrophobicContact CD1-CD1 3.78Å; L131-L136 HydrophobicContact CD1-CG 4.49Å; L131-L136 HydrophobicContact CG-CD1 4.45Å; L131-L136 PolarHBondContact O-N 3.12Å; L131-I154 HydrophobicContact CD2-CG2 3.73Å; L131-L155 HydrophobicContact CD1-CD1 4.12Å; L131-K158 HydrophobicContact CD1-CB 4.25Å; L131-K158 HydrophobicContact CD1-CG 4.15Å; L131-K158 HydrophobicContact CD2-CG 4.22Å; L131-K158 HydrophobicContact CG-CG 4.43Å |
| 132 | Q | 93 | Very high | 94.3 | Very high | 109 Ų | 109 | 63.3 Ų | 63.3 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.8 | -25.4 | 179.5 | -69.5 | 176.7 | -6.9 | 0 | 0 | 112.8 | G126 D128 V129 G134 | G126-Q132 PolarHBondContact O-NE2 3.16Å; G126-Q132 VanDerWaalsContact O-NE2 3.08Å; D128-Q132 PolarHBondContact O-N 2.92Å; V129-Q132 PolarHBondContact O-N 3.45Å; Q132-G134 PolarHBondContact O-N 3.49Å |
| 133 | D | 88.3 | Confident | 93.9 | Very high | 147 Ų | 147 | 65.6 Ų | 65.6 | 79% | 0.786 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 83.9 | 176.7 | -171.7 | 19.8 | 0 | 0 | 0 | 111.2 | L131 I135 | L131-D133 VanDerWaalsContact C-N 3.26Å; L131-D133 PolarHBondContact O-N 3.37Å; D133-I135 VanDerWaalsContact C-N 3.29Å; D133-I135 PolarHBondContact O-N 2.97Å |
| 134 | G | 87.7 | Confident | 93.7 | Very high | 42 Ų | 42 | 61.3 Ų | 61.3 | 43% | 0.433 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 15.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q132 R149 | Q132-G134 PolarHBondContact O-N 3.49Å; G134-R149 PolarHBondContact O-NE 3.4Å; G134-R149 PolarHBondContact O-NH1 3.24Å |
| 135 | I | 95.8 | Very high | 93.8 | Very high | 10 Ų | 10 | 57.7 Ų | 57.7 | 5% | 0.051 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -53.9 | 169.8 | -57.9 | 177.1 | 0 | 0 | 0 | 110.5 | L131 D133 R149 I154 L155 | L131-I135 HydrophobicContact CD2-CB 4.36Å; L131-I135 HydrophobicContact CD2-CD1 3.82Å; L131-I135 HydrophobicContact CD2-CG2 4.14Å; L131-I135 CarbonylContact O-C 3.57Å; L131-I135 WeakPolarHBondContact O-CB 3.37Å; L131-I135 PolarHBondContact O-N 2.97Å; D133-I135 VanDerWaalsContact C-N 3.29Å; D133-I135 PolarHBondContact O-N 2.97Å; I135-R149 HydrophobicContact CG2-CB 4.16Å; I135-R149 WeakPolarHBondContact O-CD 3.45Å; I135-R149 VanDerWaalsContact O-CG 3.32Å; I135-R149 WeakPolarHBondContact O-CG 3.48Å; I135-R149 PolarHBondContact O-NE 3.49Å; I135-I154 HydrophobicContact CD1-CB 4.1Å; I135-I154 HydrophobicContact CD1-CG2 4.28Å; I135-L155 HydrophobicContact CG2-CB 4Å; I135-L155 HydrophobicContact CG2-CD1 4.46Å; I135-L155 HydrophobicContact CG2-CD2 4.17Å; I135-L155 HydrophobicContact CG2-CG 4.44Å |
| 136 | L | 97 | Very high | 93.8 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -115.7 | 152.2 | 179.8 | -62.7 | -176.9 | 0 | 0 | 0 | 111.6 | I121 L125 L131 V138 L155 | I121-L136 HydrophobicContact CG2-CD2 3.81Å; L125-L136 HydrophobicContact CB-CD1 3.65Å; L131-L136 HydrophobicContact CB-CB 4.38Å; L131-L136 HydrophobicContact CB-CD1 3.8Å; L131-L136 HydrophobicContact CB-CG 3.96Å; L131-L136 HydrophobicContact CD1-CD1 3.78Å; L131-L136 HydrophobicContact CD1-CG 4.49Å; L131-L136 HydrophobicContact CG-CD1 4.45Å; L131-L136 PolarHBondContact O-N 3.12Å; L136-V138 HydrophobicContact CD2-CG2 3.82Å; L136-L155 HydrophobicContact CD2-CD1 4.42Å |
| 137 | P | 96.4 | Very high | 93.9 | Very high | 101 Ų | 101 | 55.9 Ų | 55.9 | 66% | 0.656 | 32% | 0.32 | S | S | * | . | S | Bend | cis | -72.7 | 150.8 | -5.8 | 31.3 | -34.8 | 0 | 0 | 0 | 112.2 | N122 | N122-P137 WeakPolarHBondContact OD1-CA 3.45Š|
| 138 | V | 97 | Very high | 93.9 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | trans | -89.7 | 124.2 | 167.3 | 177 | 0 | 0 | 0 | 0 | 107.8 | T118 N122 L136 P140 Q145 L146 R149 | T118-V138 HydrophobicContact CG2-CB 3.75Å; T118-V138 HydrophobicContact CG2-CG1 3.59Å; T118-V138 VanDerWaalsContact CG2-O 3.29Å; T118-V138 WeakPolarHBondContact CG2-O 3.24Å; N122-V138 PolarHBondContact ND2-O 3.45Å; N122-V138 PolarHBondContact OD1-N 2.94Å; L136-V138 HydrophobicContact CD2-CG2 3.82Å; V138-P140 WeakPolarHBondContact O-CD 3.45Å; V138-Q145 HydrophobicContact CG1-CB 4.29Å; V138-Q145 HydrophobicContact CG1-CG 4.43Å; V138-L146 HydrophobicContact CG1-CB 4.02Å; V138-L146 HydrophobicContact CG1-CD1 4.5Å; V138-R149 HydrophobicContact CG2-CB 4.1Å; V138-R149 HydrophobicContact CG2-CG 3.72Å | ||
| 139 | D | 95.6 | Very high | 93.9 | Very high | 72 Ų | 72 | 56.5 Ų | 56.5 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | trans | -79.6 | 113.6 | 175 | -174.8 | -15 | 0 | 0 | 0 | 110.1 | S141 V142 Q145 | D139-S141 PolarHBondContact O-N 3.32Å; D139-S141 VanDerWaalsContact OD1-CB 3.27Å; D139-S141 WeakPolarHBondContact OD1-CB 3.43Å; D139-S141 PolarHBondContact OD1-N 2.98Å; D139-S141 PolarHBondContact OD1-OG 3.38Å; D139-S141 PolarHBondContact OD2-OG 3.36Å; D139-S141 VanDerWaalsContact OD2-OG 3.09Å; D139-V142 HydrophobicContact CB-CB 4.43Å; D139-V142 HydrophobicContact CB-CG2 3.93Å; D139-V142 PolarHBondContact O-N 3.39Å; D139-V142 VanDerWaalsContact O-N 3.16Å; D139-Q145 PolarHBondContact O-OE1 3.07Å | ||
| 140 | P | 92.4 | Very high | 94.1 | Very high | 54 Ų | 54 | 51 Ų | 51 | 35% | 0.351 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -12.6 | 179.8 | 29.5 | -35.7 | 0 | 0 | 0 | 113.5 | R115 T118 L119 V138 | R115-P140 HydrophobicContact CB-CB 4.37Å; R115-P140 HydrophobicContact CG-CB 4.09Å; T118-P140 HydrophobicContact CG2-CB 3.95Å; T118-P140 HydrophobicContact CG2-CG 4.48Å; L119-P140 HydrophobicContact CD2-CG 4.09Å; V138-P140 WeakPolarHBondContact O-CD 3.45Å |
| 141 | S | 91.3 | Very high | 94.3 | Very high | 98 Ų | 98 | 51.3 Ų | 51.3 | 69% | 0.685 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -19.7 | 175 | 76 | 0 | 0 | 0 | 0 | 113.1 | D139 D143 | D139-S141 PolarHBondContact O-N 3.32Å; D139-S141 VanDerWaalsContact OD1-CB 3.27Å; D139-S141 WeakPolarHBondContact OD1-CB 3.43Å; D139-S141 PolarHBondContact OD1-N 2.98Å; D139-S141 PolarHBondContact OD1-OG 3.38Å; D139-S141 PolarHBondContact OD2-OG 3.36Å; D139-S141 VanDerWaalsContact OD2-OG 3.09Å; S141-D143 PolarHBondContact O-N 2.94Å |
| 142 | V | 94.4 | Very high | 94.2 | Very high | 65 Ų | 65 | 53.2 Ų | 53.2 | 39% | 0.394 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -90.8 | 104.4 | -179.3 | -177 | 0 | 0 | 0 | 0 | 110.1 | D139 G144 Q145 | D139-V142 HydrophobicContact CB-CB 4.43Å; D139-V142 HydrophobicContact CB-CG2 3.93Å; D139-V142 PolarHBondContact O-N 3.39Å; D139-V142 VanDerWaalsContact O-N 3.16Å; V142-G144 PolarHBondContact O-N 3.39Å; V142-G144 VanDerWaalsContact O-N 3.12Å; V142-Q145 HydrophobicContact CB-CB 3.97Å; V142-Q145 HydrophobicContact CG1-CB 3.91Å; V142-Q145 HydrophobicContact CG1-CG 4.45Å; V142-Q145 WeakPolarHBondContact O-CB 3.31Å; V142-Q145 PolarHBondContact O-N 3.44Å; V142-Q145 VanDerWaalsContact O-N 3.07Å |
| 143 | D | 89.4 | Confident | 94.4 | Very high | 78 Ų | 78 | 48 Ų | 48 | 42% | 0.417 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 117.7 | -176 | -175.5 | 67.9 | 0 | 0 | 0 | 112.7 | K94 S141 Q145 R216 | K94-D143 IonicContact NZ-OD1 3.37Å; K94-D143 PolarHBondContact NZ-OD1 2.97Å; K94-D143 IonicContact NZ-OD2 2.72Å; S141-D143 PolarHBondContact O-N 2.94Å; D143-Q145 VanDerWaalsContact C-N 3.29Å; D143-Q145 PolarHBondContact O-N 3.42Å; D143-R216 IonicContact OD1-CZ 3.77Å; D143-R216 IonicContact OD1-NH1 3.84Å; D143-R216 PolarHBondContact OD1-NH1 2.94Å; D143-R216 IonicContact OD1-NH2 2.71Å; D143-R216 IonicContact OD2-CZ 3.64Å; D143-R216 IonicContact OD2-NH1 2.67Å; D143-R216 PolarHBondContact OD2-NH1 3.39Å; D143-R216 VanDerWaalsContact OD2-NH1 3.09Å; D143-R216 IonicContact OD2-NH2 3.36Å; D143-R216 PolarHBondContact OD2-NH2 3.4Å |
| 144 | G | 89.9 | Confident | 94.9 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 9.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | E114 V142 L146 Y147 Q148 | E114-G144 PolarHBondContact OE1-N 2.91Å; V142-G144 PolarHBondContact O-N 3.39Å; V142-G144 VanDerWaalsContact O-N 3.12Å; G144-L146 VanDerWaalsContact C-N 3.3Å; G144-L146 PolarHBondContact O-N 2.94Å; G144-Y147 PolarHBondContact O-N 3.43Å; G144-Q148 PolarHBondContact O-N 3.37Å |
| 145 | Q | 95.6 | Very high | 95.4 | Very high | 39 Ų | 39 | 39.3 Ų | 39.3 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 174.6 | -166 | -177.6 | 49 | 0 | 0 | 111.5 | V138 D139 V142 D143 Y147 Q148 R149 | V138-Q145 HydrophobicContact CG1-CB 4.29Å; V138-Q145 HydrophobicContact CG1-CG 4.43Å; D139-Q145 PolarHBondContact O-OE1 3.07Å; V142-Q145 HydrophobicContact CB-CB 3.97Å; V142-Q145 HydrophobicContact CG1-CB 3.91Å; V142-Q145 HydrophobicContact CG1-CG 4.45Å; V142-Q145 WeakPolarHBondContact O-CB 3.31Å; V142-Q145 PolarHBondContact O-N 3.44Å; V142-Q145 VanDerWaalsContact O-N 3.07Å; D143-Q145 VanDerWaalsContact C-N 3.29Å; D143-Q145 PolarHBondContact O-N 3.42Å; Q145-Y147 VanDerWaalsContact C-N 3.28Å; Q145-Y147 PolarHBondContact O-N 2.89Å; Q145-Q148 WeakPolarHBondContact O-CB 3Å; Q145-Q148 PolarHBondContact O-N 3.11Å; Q145-R149 HydrophobicContact CG-CG 4.4Å; Q145-R149 WeakPolarHBondContact O-CG 3.17Å; Q145-R149 PolarHBondContact O-N 3Å |
| 146 | L | 97 | Very high | 95.5 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -48.6 | -50.2 | 175 | 177.1 | 62.6 | 0 | 0 | 0 | 111.7 | E114 I121 V138 G144 Q148 R149 C150 L220 I223 | E114-L146 HydrophobicContact CG-CD2 4.37Å; I121-L146 HydrophobicContact CD1-CD1 3.75Å; V138-L146 HydrophobicContact CG1-CB 4.02Å; V138-L146 HydrophobicContact CG1-CD1 4.5Å; G144-L146 VanDerWaalsContact C-N 3.3Å; G144-L146 PolarHBondContact O-N 2.94Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 3.02Å; L146-R149 PolarHBondContact O-N 2.95Å; L146-C150 PolarHBondContact O-N 3.42Å; L146-C150 VanDerWaalsContact O-N 3.14Å; L146-C150 PolarHBondContact O-SG 3.04Å; L146-C150 VanDerWaalsContact O-SG 3.35Å; L146-L220 HydrophobicContact CD2-CD1 4.16Å; L146-I223 HydrophobicContact CD1-CD1 4.16Å; L146-I223 HydrophobicContact CD2-CD1 3.92Å; L146-I223 HydrophobicContact CG-CD1 4.16Å |
| 147 | Y | 96.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.5 | -34.6 | -178 | -45.5 | -63.2 | 0 | 0 | 0 | 112.5 | E114 G144 Q145 C150 K151 R216 V219 L220 | E114-Y147 WeakPolarHBondContact OE1-CE2 3.48Å; E114-Y147 WeakPolarHBondContact OE2-CE2 3.24Å; E114-Y147 PolarHBondContact OE2-OH 3.45Å; G144-Y147 PolarHBondContact O-N 3.43Å; Q145-Y147 VanDerWaalsContact C-N 3.28Å; Q145-Y147 PolarHBondContact O-N 2.89Å; Y147-C150 PolarHBondContact O-N 3.22Å; Y147-K151 WeakPolarHBondContact O-CG 3.25Å; Y147-R216 HydrophobicContact CD1-CB 4.29Å; Y147-R216 HydrophobicContact CD1-CG 4.39Å; Y147-R216 HydrophobicContact CD2-CB 4.16Å; Y147-R216 HydrophobicContact CD2-CG 3.51Å; Y147-R216 HydrophobicContact CE1-CB 3.85Å; Y147-R216 HydrophobicContact CE1-CG 4.28Å; Y147-R216 WeakPolarHBondContact CE1-O 3.43Å; Y147-R216 HydrophobicContact CE2-CB 3.79Å; Y147-R216 HydrophobicContact CE2-CG 3.45Å; Y147-R216 VanDerWaalsContact CE2-CG 3.45Å; Y147-R216 HydrophobicContact CG-CB 4.42Å; Y147-R216 HydrophobicContact CG-CG 4.02Å; Y147-V219 HydrophobicContact CD1-CB 3.79Å; Y147-V219 HydrophobicContact CD1-CG1 3.86Å; Y147-V219 HydrophobicContact CD1-CG2 4.49Å; Y147-V219 HydrophobicContact CE1-CB 4.34Å; Y147-L220 HydrophobicContact CE1-CB 4.16Å |
| 148 | Q | 96.1 | Very high | 95.7 | Very high | 109 Ų | 109 | 34 Ų | 34 | 51% | 0.509 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.4 | -41.5 | 173.9 | -60.7 | -57 | -36.3 | 0 | 0 | 111.3 | G144 Q145 L146 C150 K151 | G144-Q148 PolarHBondContact O-N 3.37Å; Q145-Q148 WeakPolarHBondContact O-CB 3Å; Q145-Q148 PolarHBondContact O-N 3.11Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 3.02Å; Q148-C150 PolarHBondContact O-N 2.86Å; Q148-K151 WeakPolarHBondContact O-CB 3.37Å; Q148-K151 PolarHBondContact O-N 3.04Å |
| 149 | R | 96.6 | Very high | 95.7 | Very high | 77 Ų | 77 | 34 Ų | 34 | 29% | 0.291 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.7 | -23.9 | 178.6 | -61 | -49.8 | -160.9 | -167.7 | -6.9 | 113.1 | G134 I135 V138 Q145 L146 L155 | G134-R149 PolarHBondContact O-NE 3.4Å; G134-R149 PolarHBondContact O-NH1 3.24Å; I135-R149 HydrophobicContact CG2-CB 4.16Å; I135-R149 WeakPolarHBondContact O-CD 3.45Å; I135-R149 VanDerWaalsContact O-CG 3.32Å; I135-R149 WeakPolarHBondContact O-CG 3.48Å; I135-R149 PolarHBondContact O-NE 3.49Å; V138-R149 HydrophobicContact CG2-CB 4.1Å; V138-R149 HydrophobicContact CG2-CG 3.72Å; Q145-R149 HydrophobicContact CG-CG 4.4Å; Q145-R149 WeakPolarHBondContact O-CG 3.17Å; Q145-R149 PolarHBondContact O-N 3Å; L146-R149 PolarHBondContact O-N 2.95Å; R149-L155 HydrophobicContact CB-CD2 4.33Å |
| 150 | C | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -78.7 | -16.8 | 174.4 | -65.5 | 0 | 0 | 0 | 0 | 114.6 | L146 Y147 Q148 N152 G153 L156 V219 | L146-C150 PolarHBondContact O-N 3.42Å; L146-C150 VanDerWaalsContact O-N 3.14Å; L146-C150 PolarHBondContact O-SG 3.04Å; L146-C150 VanDerWaalsContact O-SG 3.35Å; Y147-C150 PolarHBondContact O-N 3.22Å; Q148-C150 PolarHBondContact O-N 2.86Å; C150-N152 VanDerWaalsContact C-N 3.3Å; C150-N152 PolarHBondContact O-N 3.45Å; C150-G153 PolarHBondContact O-N 2.95Å; C150-L156 HydrophobicContact CB-CD1 4.1Å; C150-L156 HydrophobicContact CB-CG 4.17Å; C150-V219 HydrophobicContact CB-CG1 3.93Å |
| 151 | K | 96 | Very high | 96.2 | Very high | 58 Ų | 58 | 29.2 Ų | 29.2 | 25% | 0.252 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -28.6 | -168.1 | -76.9 | -175.5 | 172.9 | 179.9 | 0 | 115.2 | Y147 Q148 G153 V185 M212 | Y147-K151 WeakPolarHBondContact O-CG 3.25Å; Q148-K151 WeakPolarHBondContact O-CB 3.37Å; Q148-K151 PolarHBondContact O-N 3.04Å; K151-G153 VanDerWaalsContact C-N 3.29Å; K151-V185 WeakPolarHBondContact O-CG1 3.45Å; K151-M212 WeakPolarHBondContact CD-O 3.24Å; K151-M212 VanDerWaalsContact CE-O 3.23Å; K151-M212 WeakPolarHBondContact CE-O 3.39Å |
| 152 | N | 95 | Very high | 96.4 | Very high | 39 Ų | 39 | 25.9 Ų | 25.9 | 21% | 0.209 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -5.6 | 178.8 | 70.9 | 8.1 | 0 | 0 | 0 | 113.4 | C150 I154 L179 N188 | C150-N152 VanDerWaalsContact C-N 3.3Å; C150-N152 PolarHBondContact O-N 3.45Å; N152-I154 VanDerWaalsContact C-N 3.27Å; N152-I154 PolarHBondContact O-N 3.21Å; N152-I154 PolarHBondContact OD1-N 3.34Å; N152-L179 HydrophobicContact CB-CD1 4.32Å; N152-N188 VanDerWaalsContact O-CB 3.26Å; N152-N188 WeakPolarHBondContact O-CB 3.33Å; N152-N188 PolarHBondContact O-ND2 3.29Å |
| 153 | G | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 76.9 | -11.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | C150 K151 L156 C157 | C150-G153 PolarHBondContact O-N 2.95Å; K151-G153 VanDerWaalsContact C-N 3.29Å; G153-L156 PolarHBondContact O-N 3.28Å; G153-C157 PolarHBondContact O-N 3.48Å; G153-C157 PolarHBondContact O-SG 3.14Å |
| 154 | I | 97.9 | Very high | 96.9 | Very high | 7 Ų | 7 | 21.4 Ų | 21.4 | 4% | 0.036 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.1 | -50.3 | -177.4 | -61.7 | -179.3 | 0 | 0 | 0 | 110.4 | E130 L131 I135 N152 L156 C157 K158 I173 L179 | E130-I154 HydrophobicContact CG-CG2 4.42Å; L131-I154 HydrophobicContact CD2-CG2 3.73Å; I135-I154 HydrophobicContact CD1-CB 4.1Å; I135-I154 HydrophobicContact CD1-CG2 4.28Å; N152-I154 VanDerWaalsContact C-N 3.27Å; N152-I154 PolarHBondContact O-N 3.21Å; N152-I154 PolarHBondContact OD1-N 3.34Å; I154-L156 VanDerWaalsContact C-N 3.27Å; I154-L156 PolarHBondContact O-N 3.43Å; I154-C157 PolarHBondContact O-N 2.92Å; I154-C157 VanDerWaalsContact O-N 3.15Å; I154-K158 HydrophobicContact CG2-CG 4.39Å; I154-K158 WeakPolarHBondContact O-CG 3.42Å; I154-K158 PolarHBondContact O-N 2.76Å; I154-I173 HydrophobicContact CG1-CG2 3.97Å; I154-L179 HydrophobicContact CD1-CD1 3.8Å |
| 155 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.8 | -41.9 | 179.4 | 179.9 | 57.6 | 0 | 0 | 0 | 111.9 | I121 L125 L131 I135 L136 R149 K158 L159 | I121-L155 HydrophobicContact CG2-CD1 3.9Å; I121-L155 HydrophobicContact CG2-CD2 4.48Å; L125-L155 HydrophobicContact CD1-CD1 3.92Å; L131-L155 HydrophobicContact CD1-CD1 4.12Å; I135-L155 HydrophobicContact CG2-CB 4Å; I135-L155 HydrophobicContact CG2-CD1 4.46Å; I135-L155 HydrophobicContact CG2-CD2 4.17Å; I135-L155 HydrophobicContact CG2-CG 4.44Å; L136-L155 HydrophobicContact CD2-CD1 4.42Å; R149-L155 HydrophobicContact CB-CD2 4.33Å; L155-K158 PolarHBondContact O-N 3.18Å; L155-L159 HydrophobicContact CD1-CD1 4.45Å; L155-L159 HydrophobicContact CD1-CG 4.43Å; L155-L159 HydrophobicContact CG-CD1 4.25Å; L155-L159 WeakPolarHBondContact O-CB 3.43Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.32Å; L155-L159 PolarHBondContact O-N 3.05Å |
| 156 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.7 | -38.9 | 179.4 | -65.7 | 170.8 | 0 | 0 | 0 | 112 | C150 G153 I154 K158 L159 V160 L189 A192 I211 L222 I223 | C150-L156 HydrophobicContact CB-CD1 4.1Å; C150-L156 HydrophobicContact CB-CG 4.17Å; G153-L156 PolarHBondContact O-N 3.28Å; I154-L156 VanDerWaalsContact C-N 3.27Å; I154-L156 PolarHBondContact O-N 3.43Å; L156-K158 VanDerWaalsContact C-N 3.33Å; L156-K158 PolarHBondContact O-N 3.41Å; L156-L159 HydrophobicContact CD2-CD1 4.44Å; L156-L159 PolarHBondContact O-N 2.97Å; L156-V160 WeakPolarHBondContact O-CG2 3.31Å; L156-V160 PolarHBondContact O-N 2.54Å; L156-L189 HydrophobicContact CD1-CD2 4.29Å; L156-A192 HydrophobicContact CB-CB 3.82Å; L156-I211 HydrophobicContact CD1-CD1 4.13Å; L156-I211 HydrophobicContact CD1-CG2 3.69Å; L156-L222 HydrophobicContact CD1-CD2 4.38Å; L156-L222 HydrophobicContact CD2-CD2 4.32Å; L156-I223 HydrophobicContact CD2-CG1 4.15Å |
| 157 | C | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | 173.6 | -67 | 0 | 0 | 0 | 0 | 111.4 | G153 I154 L159 V160 N161 I168 I173 | G153-C157 PolarHBondContact O-N 3.48Å; G153-C157 PolarHBondContact O-SG 3.14Å; I154-C157 PolarHBondContact O-N 2.92Å; I154-C157 VanDerWaalsContact O-N 3.15Å; C157-L159 VanDerWaalsContact C-N 3.33Å; C157-L159 PolarHBondContact O-N 3.25Å; C157-V160 WeakPolarHBondContact O-CB 3.18Å; C157-V160 PolarHBondContact O-N 2.92Å; C157-N161 PolarHBondContact O-N 2.87Å; C157-I168 HydrophobicContact CB-CD1 3.84Å; C157-I173 HydrophobicContact CB-CD1 3.6Å; C157-I173 HydrophobicContact CB-CG1 4.16Å |
| 158 | K | 98.3 | Very high | 97.3 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.5 | -40.7 | 176 | -65.7 | -73.3 | -171.4 | 160.1 | 0 | 111.6 | L125 D128 E130 L131 I154 L155 L156 V160 N161 V162 E170 | L125-K158 HydrophobicContact CD1-CB 4.15Å; L125-K158 HydrophobicContact CD2-CB 4.43Å; D128-K158 IonicContact OD1-NZ 3.79Å; D128-K158 WeakPolarHBondContact OD2-CD 3.39Å; D128-K158 VanDerWaalsContact OD2-CE 3.3Å; D128-K158 WeakPolarHBondContact OD2-CE 3.35Å; D128-K158 IonicContact OD2-NZ 2.73Å; D128-K158 PolarHBondContact OD2-NZ 3.24Å; E130-K158 WeakPolarHBondContact OE2-CE 3.39Å; E130-K158 IonicContact OE2-NZ 2.63Å; E130-K158 PolarHBondContact OE2-NZ 3.42Å; L131-K158 HydrophobicContact CD1-CB 4.25Å; L131-K158 HydrophobicContact CD1-CG 4.15Å; L131-K158 HydrophobicContact CD2-CG 4.22Å; L131-K158 HydrophobicContact CG-CG 4.43Å; I154-K158 HydrophobicContact CG2-CG 4.39Å; I154-K158 WeakPolarHBondContact O-CG 3.42Å; I154-K158 PolarHBondContact O-N 2.76Å; L155-K158 PolarHBondContact O-N 3.18Å; L156-K158 VanDerWaalsContact C-N 3.33Å; L156-K158 PolarHBondContact O-N 3.41Å; K158-V160 VanDerWaalsContact C-N 3.33Å; K158-V160 PolarHBondContact O-N 3.29Å; K158-N161 PolarHBondContact O-N 3.05Å; K158-N161 VanDerWaalsContact O-N 3.16Å; K158-V162 WeakPolarHBondContact O-CG2 3.38Å; K158-V162 PolarHBondContact O-N 3.25Å; K158-E170 VanDerWaalsContact CD-OE1 3.28Å; K158-E170 WeakPolarHBondContact CD-OE1 3.45Å; K158-E170 WeakPolarHBondContact CE-OE1 3.39Å; K158-E170 IonicContact NZ-OE1 2.7Å; K158-E170 PolarHBondContact NZ-OE1 3.2Å; K158-E170 VanDerWaalsContact NZ-OE1 3.09Å; K158-E170 IonicContact NZ-OE2 3.96Å; K158-E170 PolarHBondContact NZ-OE2 3.43Å |
| 159 | L | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.9 | -33.1 | 175.7 | -75 | 174.9 | 0 | 0 | 0 | 113.6 | W120 I121 L125 L155 L156 C157 V162 A163 I223 L226 | W120-L159 HydrophobicContact CH2-CD2 4.13Å; W120-L159 HydrophobicContact CZ3-CD2 3.63Å; I121-L159 HydrophobicContact CD1-CD1 4.04Å; I121-L159 HydrophobicContact CG1-CD1 4.24Å; I121-L159 HydrophobicContact CG1-CD2 4.16Å; L125-L159 HydrophobicContact CD1-CD2 3.67Å; L125-L159 HydrophobicContact CD1-CG 4Å; L155-L159 HydrophobicContact CD1-CD1 4.45Å; L155-L159 HydrophobicContact CD1-CG 4.43Å; L155-L159 HydrophobicContact CG-CD1 4.25Å; L155-L159 WeakPolarHBondContact O-CB 3.43Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.32Å; L155-L159 PolarHBondContact O-N 3.05Å; L156-L159 HydrophobicContact CD2-CD1 4.44Å; L156-L159 PolarHBondContact O-N 2.97Å; C157-L159 VanDerWaalsContact C-N 3.33Å; C157-L159 PolarHBondContact O-N 3.25Å; L159-V162 WeakPolarHBondContact O-CB 3.28Å; L159-V162 PolarHBondContact O-N 3.45Å; L159-A163 WeakPolarHBondContact O-CB 3.38Å; L159-A163 PolarHBondContact O-N 3.48Å; L159-I223 HydrophobicContact CD1-CG1 4.31Å; L159-L226 HydrophobicContact CB-CD1 3.83Å |
| 160 | V | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 170.9 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | L156 C157 K158 V162 A163 S164 T167 I168 A196 I199 L226 | L156-V160 WeakPolarHBondContact O-CG2 3.31Å; L156-V160 PolarHBondContact O-N 2.54Å; C157-V160 WeakPolarHBondContact O-CB 3.18Å; C157-V160 PolarHBondContact O-N 2.92Å; K158-V160 VanDerWaalsContact C-N 3.33Å; K158-V160 PolarHBondContact O-N 3.29Å; V160-V162 VanDerWaalsContact C-N 3.3Å; V160-V162 PolarHBondContact O-N 3.06Å; V160-A163 PolarHBondContact O-N 2.93Å; V160-S164 PolarHBondContact O-N 2.87Å; V160-T167 HydrophobicContact CG1-CG2 3.65Å; V160-I168 HydrophobicContact CB-CD1 3.78Å; V160-I168 HydrophobicContact CB-CG1 4.46Å; V160-I168 HydrophobicContact CG1-CD1 3.83Å; V160-I168 HydrophobicContact CG1-CG1 4.02Å; V160-I168 HydrophobicContact CG2-CD1 4.24Å; V160-A196 HydrophobicContact CG2-CB 4.27Å; V160-I199 HydrophobicContact CG1-CD1 4.29Å; V160-L226 HydrophobicContact CB-CD2 4.5Å; V160-L226 HydrophobicContact CG2-CD1 4.24Å; V160-L226 HydrophobicContact CG2-CD2 3.83Å |
| 161 | N | 98.3 | Very high | 97.3 | Very high | 25 Ų | 25 | 31 Ų | 31 | 13% | 0.134 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.9 | -28.7 | 174.9 | -81.3 | -15.7 | 0 | 0 | 0 | 113.2 | C157 K158 S164 P165 T167 I168 | C157-N161 PolarHBondContact O-N 2.87Å; K158-N161 PolarHBondContact O-N 3.05Å; K158-N161 VanDerWaalsContact O-N 3.16Å; N161-S164 CarbonylContact O-C 3.56Å; N161-P165 VanDerWaalsContact O-CA 3.24Å; N161-P165 WeakPolarHBondContact O-CA 3.26Å; N161-T167 PolarHBondContact OD1-N 3.26Å; N161-T167 VanDerWaalsContact OD1-N 3.13Å; N161-I168 PolarHBondContact ND2-O 3.21Å; N161-I168 PolarHBondContact OD1-N 3.23Å; N161-I168 PolarHBondContact OD1-O 2.91Å |
| 162 | V | 97.2 | Very high | 97.3 | Very high | 27 Ų | 27 | 28.3 Ų | 28.3 | 16% | 0.164 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.5 | -42.6 | 170.4 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | W120 R124 L125 K158 L159 V160 | W120-V162 HydrophobicContact CH2-CG1 3.72Å; W120-V162 HydrophobicContact CZ2-CG1 3.97Å; R124-V162 HydrophobicContact CG-CG1 3.8Å; R124-V162 HydrophobicContact CG-CG2 4.28Å; L125-V162 HydrophobicContact CD1-CG2 4.34Å; L125-V162 HydrophobicContact CD2-CG2 3.66Å; L125-V162 HydrophobicContact CG-CG2 4.08Å; K158-V162 WeakPolarHBondContact O-CG2 3.38Å; K158-V162 PolarHBondContact O-N 3.25Å; L159-V162 WeakPolarHBondContact O-CB 3.28Å; L159-V162 PolarHBondContact O-N 3.45Å; V160-V162 VanDerWaalsContact C-N 3.3Å; V160-V162 PolarHBondContact O-N 3.06Å |
| 163 | A | 97.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 26.8 Ų | 26.8 | 8% | 0.083 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.2 | -39.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L159 V160 I199 L226 R229 G230 | L159-A163 WeakPolarHBondContact O-CB 3.38Å; L159-A163 PolarHBondContact O-N 3.48Å; V160-A163 PolarHBondContact O-N 2.93Å; A163-I199 HydrophobicContact CB-CD1 4.08Å; A163-L226 HydrophobicContact CB-CB 4.19Å; A163-L226 HydrophobicContact CB-CD2 4.08Å; A163-L226 VanDerWaalsContact CB-O 3.23Å; A163-L226 WeakPolarHBondContact CB-O 3.43Å; A163-R229 HydrophobicContact CB-CB 4.3Å; A163-G230 WeakPolarHBondContact O-CA 3.48Å |
| 164 | S | 96 | Very high | 97.4 | Very high | 39 Ų | 39 | 27.9 Ų | 27.9 | 27% | 0.273 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -144.6 | 101.7 | 177.5 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | V160 N161 T167 | V160-S164 PolarHBondContact O-N 2.87Å; N161-S164 CarbonylContact O-C 3.56Å; S164-T167 WeakPolarHBondContact CB-OG1 3.44Å; S164-T167 WeakPolarHBondContact O-CB 3.43Å; S164-T167 PolarHBondContact O-N 3.15Å; S164-T167 PolarHBondContact O-OG1 3.16Å; S164-T167 PolarHBondContact OG-OG1 3.29Å |
| 165 | P | 96 | Very high | 97.3 | Very high | 95 Ų | 95 | 31.4 Ų | 31.4 | 62% | 0.617 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | 144.8 | -178.1 | -29.2 | 36.2 | 0 | 0 | 0 | 113 | N161 T167 | N161-P165 VanDerWaalsContact O-CA 3.24Å; N161-P165 WeakPolarHBondContact O-CA 3.26Å; P165-T167 PolarHBondContact O-N 3.29Å |
| 166 | N | 94.8 | Very high | 97 | Very high | 129 Ų | 129 | 33.9 Ų | 33.9 | 69% | 0.69 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 21.3 | 179.7 | -51.1 | -40.1 | 0 | 0 | 0 | 114.8 | Q578 | N166-Q578 PolarHBondContact O-NE2 3.41Å; N166-Q578 PolarHBondContact O-OE1 3.35Å |
| 167 | T | 97.5 | Very high | 96.7 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -73.2 | -39.3 | 176.4 | -60.5 | 0 | 0 | 0 | 0 | 112 | V160 N161 S164 P165 I199 Q578 | V160-T167 HydrophobicContact CG1-CG2 3.65Å; N161-T167 PolarHBondContact OD1-N 3.26Å; N161-T167 VanDerWaalsContact OD1-N 3.13Å; S164-T167 WeakPolarHBondContact CB-OG1 3.44Å; S164-T167 WeakPolarHBondContact O-CB 3.43Å; S164-T167 PolarHBondContact O-N 3.15Å; S164-T167 PolarHBondContact O-OG1 3.16Å; S164-T167 PolarHBondContact OG-OG1 3.29Å; P165-T167 PolarHBondContact O-N 3.29Å; T167-I199 HydrophobicContact CG2-CG2 3.51Å; T167-Q578 VanDerWaalsContact C-NE2 3.35Å; T167-Q578 PolarHBondContact O-NE2 3.01Å |
| 168 | I | 98.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -111.4 | 123.2 | 176.9 | -65.1 | 175 | 0 | 0 | 0 | 108.6 | C157 V160 N161 E170 I173 L191 S195 | C157-I168 HydrophobicContact CB-CD1 3.84Å; V160-I168 HydrophobicContact CB-CD1 3.78Å; V160-I168 HydrophobicContact CB-CG1 4.46Å; V160-I168 HydrophobicContact CG1-CD1 3.83Å; V160-I168 HydrophobicContact CG1-CG1 4.02Å; V160-I168 HydrophobicContact CG2-CD1 4.24Å; N161-I168 PolarHBondContact ND2-O 3.21Å; N161-I168 PolarHBondContact OD1-N 3.23Å; N161-I168 PolarHBondContact OD1-O 2.91Å; I168-E170 PolarHBondContact O-N 3.37Å; I168-I173 HydrophobicContact CG2-CD1 4.26Å; I168-I173 HydrophobicContact CG2-CG1 4.24Å; I168-L191 HydrophobicContact CD1-CD1 4.47Å; I168-L191 HydrophobicContact CD1-CG 4.21Å; I168-L191 HydrophobicContact CG1-CD1 4.31Å; I168-L191 HydrophobicContact CG2-CD1 4.21Å; I168-L191 HydrophobicContact CG2-CD2 3.91Å; I168-L191 HydrophobicContact CG2-CG 4.23Å; I168-S195 WeakPolarHBondContact CG1-OG 3.4Å |
| 169 | D | 97.8 | Very high | 96.2 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 10% | 0.096 | 24% | 0.243 | C | C | . | . | trans | -69.2 | 111.2 | 162.7 | -167 | -53.4 | 0 | 0 | 0 | 109 | R171 S172 Q578 Y579 S582 | D169-R171 PolarHBondContact O-N 3.37Å; D169-R171 VanDerWaalsContact O-N 3.09Å; D169-R171 WeakPolarHBondContact OD1-CB 3.25Å; D169-R171 WeakPolarHBondContact OD1-CG 3.48Å; D169-R171 IonicContact OD1-CZ 3.43Å; D169-R171 PolarHBondContact OD1-N 2.84Å; D169-R171 IonicContact OD1-NE 3.9Å; D169-R171 PolarHBondContact OD1-NE 3.37Å; D169-R171 IonicContact OD1-NH2 3.8Å; D169-R171 IonicContact OD2-CZ 3.36Å; D169-R171 IonicContact OD2-NE 3.09Å; D169-R171 PolarHBondContact OD2-NE 2.96Å; D169-R171 IonicContact OD2-NH2 3.83Å; D169-R171 PolarHBondContact OD2-NH2 2.92Å; D169-S172 WeakPolarHBondContact O-CB 3.09Å; D169-S172 PolarHBondContact O-N 3.16Å; D169-S172 PolarHBondContact O-OG 2.74Å; D169-Q578 HydrophobicContact CB-CG 4.16Å; D169-Y579 HydrophobicContact CB-CD2 4.31Å; D169-S582 WeakPolarHBondContact CB-OG 3.43Å; D169-S582 PolarHBondContact N-OG 3.2Å | ||
| 170 | E | 97 | Very high | 96 | Very high | 66 Ų | 66 | 51.3 Ų | 51.3 | 31% | 0.308 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -63.1 | -21.2 | -174.6 | -63.5 | -163.9 | 173.1 | 0 | 0 | 113.1 | K158 I168 S172 I173 R175 | K158-E170 VanDerWaalsContact CD-OE1 3.28Å; K158-E170 WeakPolarHBondContact CD-OE1 3.45Å; K158-E170 WeakPolarHBondContact CE-OE1 3.39Å; K158-E170 IonicContact NZ-OE1 2.7Å; K158-E170 PolarHBondContact NZ-OE1 3.2Å; K158-E170 VanDerWaalsContact NZ-OE1 3.09Å; K158-E170 IonicContact NZ-OE2 3.96Å; K158-E170 PolarHBondContact NZ-OE2 3.43Å; I168-E170 PolarHBondContact O-N 3.37Å; E170-S172 PolarHBondContact O-N 2.92Å; E170-S172 VanDerWaalsContact O-N 3.16Å; E170-I173 HydrophobicContact CB-CD1 4.17Å; E170-I173 HydrophobicContact CG-CD1 4.22Å; E170-I173 WeakPolarHBondContact O-CB 3.08Å; E170-I173 PolarHBondContact O-N 3.3Å; E170-R175 PolarHBondContact O-NH1 2.8Å; E170-R175 PolarHBondContact O-NH2 2.97Å |
| 171 | R | 96.2 | Very high | 95.7 | Very high | 105 Ų | 105 | 54.7 Ų | 54.7 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -64.6 | -17.6 | 175.2 | -57.6 | 172 | -68.7 | -176.9 | 0.2 | 112.5 | D169 I565 S575 Y579 | D169-R171 PolarHBondContact O-N 3.37Å; D169-R171 VanDerWaalsContact O-N 3.09Å; D169-R171 WeakPolarHBondContact OD1-CB 3.25Å; D169-R171 WeakPolarHBondContact OD1-CG 3.48Å; D169-R171 IonicContact OD1-CZ 3.43Å; D169-R171 PolarHBondContact OD1-N 2.84Å; D169-R171 IonicContact OD1-NE 3.9Å; D169-R171 PolarHBondContact OD1-NE 3.37Å; D169-R171 IonicContact OD1-NH2 3.8Å; D169-R171 IonicContact OD2-CZ 3.36Å; D169-R171 IonicContact OD2-NE 3.09Å; D169-R171 PolarHBondContact OD2-NE 2.96Å; D169-R171 IonicContact OD2-NH2 3.83Å; D169-R171 PolarHBondContact OD2-NH2 2.92Å; R171-I565 HydrophobicContact CB-CD1 3.8Å; R171-S575 PolarHBondContact NH1-OG 2.9Å; R171-S575 PolarHBondContact NH2-O 3.36Å; R171-S575 PolarHBondContact NH2-OG 2.93Å; R171-Y579 HydrophobicContact CB-CD2 4.33Å; R171-Y579 HydrophobicContact CB-CE2 4.21Å |
| 172 | S | 97.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.014 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -78.1 | -18.7 | 174.5 | 70.1 | 0 | 0 | 0 | 0 | 113.6 | D169 E170 L191 K586 | D169-S172 WeakPolarHBondContact O-CB 3.09Å; D169-S172 PolarHBondContact O-N 3.16Å; D169-S172 PolarHBondContact O-OG 2.74Å; E170-S172 PolarHBondContact O-N 2.92Å; E170-S172 VanDerWaalsContact O-N 3.16Å; S172-L191 WeakPolarHBondContact OG-CD2 3.49Å; S172-K586 VanDerWaalsContact O-CD 3.24Å; S172-K586 WeakPolarHBondContact O-CD 3.35Å; S172-K586 VanDerWaalsContact O-CE 3.29Å; S172-K586 WeakPolarHBondContact O-CE 3.1Å; S172-K586 PolarHBondContact O-NZ 3.23Å |
| 173 | I | 97.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -73.6 | 129.8 | -176.5 | -56.9 | 170.3 | 0 | 0 | 0 | 110.8 | I154 C157 I168 E170 R175 L191 | I154-I173 HydrophobicContact CG1-CG2 3.97Å; C157-I173 HydrophobicContact CB-CD1 3.6Å; C157-I173 HydrophobicContact CB-CG1 4.16Å; I168-I173 HydrophobicContact CG2-CD1 4.26Å; I168-I173 HydrophobicContact CG2-CG1 4.24Å; E170-I173 HydrophobicContact CB-CD1 4.17Å; E170-I173 HydrophobicContact CG-CD1 4.22Å; E170-I173 WeakPolarHBondContact O-CB 3.08Å; E170-I173 PolarHBondContact O-N 3.3Å; I173-R175 PolarHBondContact O-NH1 3.15Å; I173-L191 HydrophobicContact CG1-CD2 3.87Å |
| 174 | N | 96.8 | Very high | 95.4 | Very high | 24 Ų | 24 | 65.3 Ų | 65.3 | 13% | 0.128 | 35% | 0.35 | C | S | . | . | trans | -73.1 | 136.1 | 172.5 | -65.2 | -42.3 | 0 | 0 | 0 | 110.7 | L179 N184 E187 N188 K586 | N174-L179 HydrophobicContact CB-CD2 4.15Å; N174-L179 WeakPolarHBondContact O-CD2 3.4Å; N174-N184 HydrophobicContact CB-CB 3.98Å; N174-N184 WeakPolarHBondContact ND2-CA 3.5Å; N174-N184 PolarHBondContact ND2-O 3.39Å; N174-E187 PolarHBondContact ND2-OE2 3.43Å; N174-N188 WeakPolarHBondContact CB-OD1 3.2Å; N174-N188 PolarHBondContact N-OD1 3.01Å; N174-N188 PolarHBondContact O-ND2 3.49Å; N174-K586 VanDerWaalsContact CG-NZ 3.35Å; N174-K586 VanDerWaalsContact ND2-CE 3.27Å; N174-K586 WeakPolarHBondContact ND2-CE 3.3Å; N174-K586 PolarHBondContact ND2-NZ 2.88Å; N174-K586 PolarHBondContact OD1-NZ 2.87Å | ||
| 175 | R | 94.8 | Very high | 95.4 | Very high | 81 Ų | 81 | 64.3 Ų | 64.3 | 31% | 0.306 | 34% | 0.342 | S | S | . | . | trans | -135.9 | 165.2 | -171.2 | -64.9 | 178 | 174.2 | 82.9 | 1.1 | 113.9 | E130 E170 I173 S178 | E130-R175 WeakPolarHBondContact OE1-CD 3.4Å; E130-R175 VanDerWaalsContact OE1-CG 3.25Å; E130-R175 WeakPolarHBondContact OE1-CG 3.49Å; E130-R175 IonicContact OE1-CZ 3.95Å; E130-R175 IonicContact OE1-NE 3.55Å; E130-R175 PolarHBondContact OE1-NE 3.05Å; E130-R175 IonicContact OE1-NH2 3.88Å; E130-R175 IonicContact OE2-CZ 3.15Å; E130-R175 IonicContact OE2-NE 3.69Å; E130-R175 IonicContact OE2-NH2 2.72Å; E170-R175 PolarHBondContact O-NH1 2.8Å; E170-R175 PolarHBondContact O-NH2 2.97Å; I173-R175 PolarHBondContact O-NH1 3.15Å; R175-S178 PolarHBondContact N-OG 3.22Å; R175-S178 WeakPolarHBondContact O-CB 3.5Å; R175-S178 PolarHBondContact O-N 3.01Å; R175-S178 PolarHBondContact O-OG 3.27Å | ||
| 176 | G | 92.1 | Very high | 95.5 | Very high | 51 Ų | 51 | 62.3 Ų | 62.3 | 53% | 0.526 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | 57.3 | -138.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S178 L179 | G176-S178 PolarHBondContact O-N 3.41Å; G176-L179 WeakPolarHBondContact O-CB 3.46Å; G176-L179 PolarHBondContact O-N 3.3Å; G176-L179 VanDerWaalsContact O-N 3.08Å |
| 177 | P | 92.4 | Very high | 95.6 | Very high | 111 Ų | 111 | 57.3 Ų | 57.3 | 72% | 0.721 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -57.8 | -23.7 | -176.9 | -25.5 | 34.5 | 0 | 0 | 0 | 114.7 | L179 K180 | P177-L179 PolarHBondContact O-N 3.03Å; P177-K180 WeakPolarHBondContact O-CB 3.32Å; P177-K180 WeakPolarHBondContact O-CG 3.41Å; P177-K180 PolarHBondContact O-N 3.08Å |
| 178 | S | 92 | Very high | 95.6 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -62.6 | -25.2 | 179 | 78.4 | 0 | 0 | 0 | 0 | 112.6 | R175 G176 K180 N181 N184 | R175-S178 PolarHBondContact N-OG 3.22Å; R175-S178 WeakPolarHBondContact O-CB 3.5Å; R175-S178 PolarHBondContact O-N 3.01Å; R175-S178 PolarHBondContact O-OG 3.27Å; G176-S178 PolarHBondContact O-N 3.41Å; S178-K180 PolarHBondContact O-N 3.46Å; S178-N181 WeakPolarHBondContact O-CB 3.45Å; S178-N181 PolarHBondContact O-N 3.26Å; S178-N181 VanDerWaalsContact O-N 3.08Å; S178-N184 WeakPolarHBondContact O-CB 3.3Å; S178-N184 PolarHBondContact O-ND2 3.39Å |
| 179 | L | 94.4 | Very high | 95.6 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 19% | 0.194 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -73.6 | -6.9 | 179.2 | -64.1 | 175.7 | 0 | 0 | 0 | 113.8 | N152 I154 N174 G176 P177 N181 V185 | N152-L179 HydrophobicContact CB-CD1 4.32Å; I154-L179 HydrophobicContact CD1-CD1 3.8Å; N174-L179 HydrophobicContact CB-CD2 4.15Å; N174-L179 WeakPolarHBondContact O-CD2 3.4Å; G176-L179 WeakPolarHBondContact O-CB 3.46Å; G176-L179 PolarHBondContact O-N 3.3Å; G176-L179 VanDerWaalsContact O-N 3.08Å; P177-L179 PolarHBondContact O-N 3.03Å; L179-N181 PolarHBondContact O-N 2.89Å; L179-V185 HydrophobicContact CB-CG2 4.38Å; L179-V185 HydrophobicContact CD2-CG2 4.08Å; L179-V185 WeakPolarHBondContact O-CG2 3.18Å |
| 180 | K | 93.4 | Very high | 95.7 | Very high | 187 Ų | 187 | 56.2 Ų | 56.2 | 81% | 0.813 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -63.8 | -25.7 | 165.7 | -65.5 | -179.5 | -179.2 | -179 | 0 | 111.5 | P177 S178 | P177-K180 WeakPolarHBondContact O-CB 3.32Å; P177-K180 WeakPolarHBondContact O-CG 3.41Å; P177-K180 PolarHBondContact O-N 3.08Å; S178-K180 PolarHBondContact O-N 3.46Å |
| 181 | N | 93.9 | Very high | 95.7 | Very high | 72 Ų | 72 | 53.1 Ų | 53.1 | 39% | 0.385 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -84.1 | 117 | 173.5 | -175.4 | -6.5 | 0 | 0 | 0 | 110.2 | S178 L179 F183 N184 V185 | S178-N181 WeakPolarHBondContact O-CB 3.45Å; S178-N181 PolarHBondContact O-N 3.26Å; S178-N181 VanDerWaalsContact O-N 3.08Å; L179-N181 PolarHBondContact O-N 2.89Å; N181-F183 PolarHBondContact O-N 3.28Å; N181-F183 WeakPolarHBondContact OD1-CB 3.39Å; N181-F183 WeakPolarHBondContact OD1-CD2 3.4Å; N181-F183 PolarHBondContact OD1-N 3.25Å; N181-N184 HydrophobicContact CB-CB 4.44Å; N181-N184 WeakPolarHBondContact O-CB 3.27Å; N181-N184 PolarHBondContact O-N 3.41Å; N181-V185 PolarHBondContact O-N 3.5Å |
| 182 | V | 94.7 | Very high | 95.9 | Very high | 90 Ų | 90 | 48.1 Ų | 48.1 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.1 | -29.8 | 179 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | N184 V185 H186 M212 | V182-N184 VanDerWaalsContact C-N 3.34Å; V182-N184 PolarHBondContact O-N 3.48Å; V182-V185 WeakPolarHBondContact O-CB 3.29Å; V182-V185 PolarHBondContact O-N 3.49Å; V182-H186 WeakPolarHBondContact O-CB 3.26Å; V182-H186 PolarHBondContact O-N 3.27Å; V182-M212 HydrophobicContact CG1-CE 4.35Å; V182-M212 HydrophobicContact CG1-SD 3.81Å |
| 183 | F | 94 | Very high | 95.9 | Very high | 161 Ų | 161 | 48.2 Ų | 48.2 | 71% | 0.706 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.5 | -38.1 | 175.5 | -63.4 | -67.6 | 0 | 0 | 0 | 112.1 | N181 V185 H186 E187 | N181-F183 PolarHBondContact O-N 3.28Å; N181-F183 WeakPolarHBondContact OD1-CB 3.39Å; N181-F183 WeakPolarHBondContact OD1-CD2 3.4Å; N181-F183 PolarHBondContact OD1-N 3.25Å; F183-V185 VanDerWaalsContact C-N 3.34Å; F183-H186 WeakPolarHBondContact O-CB 3.41Å; F183-H186 PolarHBondContact O-N 2.83Å; F183-E187 WeakPolarHBondContact O-CG 3.42Å; F183-E187 PolarHBondContact O-N 2.71Å |
| 184 | N | 96.1 | Very high | 95.9 | Very high | 34 Ų | 34 | 48.3 Ų | 48.3 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.3 | -33.6 | 178.3 | -68.8 | -14.1 | 0 | 0 | 0 | 111.9 | N174 S178 N181 V182 N188 | N174-N184 HydrophobicContact CB-CB 3.98Å; N174-N184 WeakPolarHBondContact ND2-CA 3.5Å; N174-N184 PolarHBondContact ND2-O 3.39Å; S178-N184 WeakPolarHBondContact O-CB 3.3Å; S178-N184 PolarHBondContact O-ND2 3.39Å; N181-N184 HydrophobicContact CB-CB 4.44Å; N181-N184 WeakPolarHBondContact O-CB 3.27Å; N181-N184 PolarHBondContact O-N 3.41Å; V182-N184 VanDerWaalsContact C-N 3.34Å; V182-N184 PolarHBondContact O-N 3.48Å; N184-N188 PolarHBondContact O-N 2.9Å; N184-N188 VanDerWaalsContact O-N 3.14Å |
| 185 | V | 97.3 | Very high | 96 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 11% | 0.109 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64 | -47.1 | 170.6 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | K151 L179 N181 V182 F183 E187 N188 L189 M212 | K151-V185 WeakPolarHBondContact O-CG1 3.45Å; L179-V185 HydrophobicContact CB-CG2 4.38Å; L179-V185 HydrophobicContact CD2-CG2 4.08Å; L179-V185 WeakPolarHBondContact O-CG2 3.18Å; N181-V185 PolarHBondContact O-N 3.5Å; V182-V185 WeakPolarHBondContact O-CB 3.29Å; V182-V185 PolarHBondContact O-N 3.49Å; F183-V185 VanDerWaalsContact C-N 3.34Å; V185-E187 VanDerWaalsContact C-N 3.29Å; V185-E187 PolarHBondContact O-N 3.33Å; V185-N188 PolarHBondContact O-N 3.09Å; V185-L189 HydrophobicContact CG1-CD1 4.11Å; V185-L189 WeakPolarHBondContact O-CG 3.42Å; V185-L189 PolarHBondContact O-N 2.9Å; V185-M212 HydrophobicContact CG1-SD 4.36Å |
| 186 | H | 97.1 | Very high | 96.2 | Very high | 53 Ų | 53 | 43.3 Ų | 43.3 | 25% | 0.245 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.2 | -40 | 177 | -173.7 | -78.3 | 0 | 0 | 0 | 112.2 | V182 F183 L189 T190 E209 | V182-H186 WeakPolarHBondContact O-CB 3.26Å; V182-H186 PolarHBondContact O-N 3.27Å; F183-H186 WeakPolarHBondContact O-CB 3.41Å; F183-H186 PolarHBondContact O-N 2.83Å; H186-L189 PolarHBondContact O-N 2.98Å; H186-T190 PolarHBondContact CE1-OG1 2.81Å; H186-T190 PolarHBondContact ND1-OG1 3.19Å; H186-T190 WeakPolarHBondContact O-CB 3.45Å; H186-T190 PolarHBondContact O-N 3.08Å; H186-T190 PolarHBondContact O-OG1 3.33Å; H186-E209 IonicContact CD2-OE1 3.5Å; H186-E209 IonicContact CE1-OE1 2.98Å; H186-E209 IonicContact NE2-OE1 2.64Å; H186-E209 PolarHBondContact NE2-OE1 3.44Å |
| 187 | E | 97.5 | Very high | 96.4 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 12% | 0.117 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.4 | -42.9 | 174.7 | -75.8 | -173.9 | 156.1 | 0 | 0 | 113.3 | N174 F183 V185 L189 T190 L191 K557 K586 | N174-E187 PolarHBondContact ND2-OE2 3.43Å; F183-E187 WeakPolarHBondContact O-CG 3.42Å; F183-E187 PolarHBondContact O-N 2.71Å; V185-E187 VanDerWaalsContact C-N 3.29Å; V185-E187 PolarHBondContact O-N 3.33Å; E187-L189 VanDerWaalsContact C-N 3.32Å; E187-L189 PolarHBondContact O-N 2.75Å; E187-T190 PolarHBondContact O-N 3.1Å; E187-L191 WeakPolarHBondContact O-CB 3.28Å; E187-L191 PolarHBondContact O-N 3.19Å; E187-K557 IonicContact OE1-NZ 2.81Å; E187-K557 PolarHBondContact OE1-NZ 3.28Å; E187-K586 HydrophobicContact CB-CG 3.91Å; E187-K586 HydrophobicContact CG-CG 4.46Å; E187-K586 WeakPolarHBondContact OE2-CE 3.46Å; E187-K586 IonicContact OE2-NZ 3.19Å |
| 188 | N | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 175.1 | -78.5 | -1.9 | 0 | 0 | 0 | 111.8 | N152 N174 N184 V185 L191 A192 | N152-N188 VanDerWaalsContact O-CB 3.26Å; N152-N188 WeakPolarHBondContact O-CB 3.33Å; N152-N188 PolarHBondContact O-ND2 3.29Å; N174-N188 WeakPolarHBondContact CB-OD1 3.2Å; N174-N188 PolarHBondContact N-OD1 3.01Å; N174-N188 PolarHBondContact O-ND2 3.49Å; N184-N188 PolarHBondContact O-N 2.9Å; N184-N188 VanDerWaalsContact O-N 3.14Å; V185-N188 PolarHBondContact O-N 3.09Å; N188-L191 WeakPolarHBondContact O-CB 3.44Å; N188-L191 PolarHBondContact O-N 3.04Å; N188-A192 PolarHBondContact O-N 3.07Å |
| 189 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.4 | -39.3 | 177.5 | -67.2 | 174.9 | 0 | 0 | 0 | 111.7 | L156 V185 H186 E187 A192 V193 P208 I211 M212 | L156-L189 HydrophobicContact CD1-CD2 4.29Å; V185-L189 HydrophobicContact CG1-CD1 4.11Å; V185-L189 WeakPolarHBondContact O-CG 3.42Å; V185-L189 PolarHBondContact O-N 2.9Å; H186-L189 PolarHBondContact O-N 2.98Å; E187-L189 VanDerWaalsContact C-N 3.32Å; E187-L189 PolarHBondContact O-N 2.75Å; L189-A192 PolarHBondContact O-N 3.17Å; L189-V193 WeakPolarHBondContact O-CG2 3.34Å; L189-V193 PolarHBondContact O-N 2.93Å; L189-P208 HydrophobicContact CB-CB 3.78Å; L189-P208 WeakPolarHBondContact CD1-O 3.43Å; L189-I211 HydrophobicContact CD1-CB 4.45Å; L189-I211 HydrophobicContact CD1-CG2 4.49Å; L189-I211 HydrophobicContact CD2-CB 4.04Å; L189-I211 HydrophobicContact CD2-CG2 3.45Å; L189-I211 VanDerWaalsContact CD2-CG2 3.45Å; L189-M212 HydrophobicContact CD1-CB 3.7Å; L189-M212 HydrophobicContact CD1-CG 4.31Å |
| 190 | T | 98.2 | Very high | 96.9 | Very high | 15 Ų | 15 | 32.7 Ų | 32.7 | 9% | 0.092 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 174.6 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | H186 E187 V193 N194 P208 | H186-T190 PolarHBondContact CE1-OG1 2.81Å; H186-T190 PolarHBondContact ND1-OG1 3.19Å; H186-T190 WeakPolarHBondContact O-CB 3.45Å; H186-T190 PolarHBondContact O-N 3.08Å; H186-T190 PolarHBondContact O-OG1 3.33Å; E187-T190 PolarHBondContact O-N 3.1Å; T190-V193 PolarHBondContact O-N 3.15Å; T190-N194 WeakPolarHBondContact O-CB 3.44Å; T190-N194 PolarHBondContact O-N 3.34Å; T190-P208 WeakPolarHBondContact OG1-CG 3.44Å |
| 191 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.4 | -49.9 | 172.7 | 172.8 | 59.9 | 0 | 0 | 0 | 111.3 | I168 S172 I173 E187 N188 S195 S582 H585 K586 | I168-L191 HydrophobicContact CD1-CD1 4.47Å; I168-L191 HydrophobicContact CD1-CG 4.21Å; I168-L191 HydrophobicContact CG1-CD1 4.31Å; I168-L191 HydrophobicContact CG2-CD1 4.21Å; I168-L191 HydrophobicContact CG2-CD2 3.91Å; I168-L191 HydrophobicContact CG2-CG 4.23Å; S172-L191 WeakPolarHBondContact OG-CD2 3.49Å; I173-L191 HydrophobicContact CG1-CD2 3.87Å; E187-L191 WeakPolarHBondContact O-CB 3.28Å; E187-L191 PolarHBondContact O-N 3.19Å; N188-L191 WeakPolarHBondContact O-CB 3.44Å; N188-L191 PolarHBondContact O-N 3.04Å; L191-S195 WeakPolarHBondContact O-CB 3.24Å; L191-S195 PolarHBondContact O-N 3.44Å; L191-S195 PolarHBondContact O-OG 3.19Å; L191-S582 WeakPolarHBondContact CD1-O 3.25Å; L191-H585 HydrophobicContact CD1-CB 3.81Å; L191-K586 HydrophobicContact CB-CB 4.07Å; L191-K586 HydrophobicContact CB-CG 4.44Å; L191-K586 HydrophobicContact CD1-CB 4.32Å |
| 192 | A | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L156 N188 L189 S195 A196 | L156-A192 HydrophobicContact CB-CB 3.82Å; N188-A192 PolarHBondContact O-N 3.07Å; L189-A192 PolarHBondContact O-N 3.17Å; A192-S195 PolarHBondContact O-N 3.37Å; A192-A196 WeakPolarHBondContact O-CB 3.42Å; A192-A196 PolarHBondContact O-N 2.96Å |
| 193 | V | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.018 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.4 | -48.5 | -178.7 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | L189 T190 S195 A196 A197 V203 T206 I211 | L189-V193 WeakPolarHBondContact O-CG2 3.34Å; L189-V193 PolarHBondContact O-N 2.93Å; T190-V193 PolarHBondContact O-N 3.15Å; V193-S195 VanDerWaalsContact C-N 3.32Å; V193-S195 PolarHBondContact O-N 3.04Å; V193-A196 PolarHBondContact O-N 3.37Å; V193-A197 PolarHBondContact O-N 3.11Å; V193-V203 HydrophobicContact CG1-CB 4.06Å; V193-V203 HydrophobicContact CG1-CG1 4.09Å; V193-T206 WeakPolarHBondContact CG1-O 3.27Å; V193-T206 HydrophobicContact CG2-CG2 4.24Å; V193-I211 HydrophobicContact CG2-CD1 3.55Å |
| 194 | N | 98.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 13.4 Ų | 13.4 | 5% | 0.053 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.2 | -36.3 | -179.7 | -74.2 | -20.6 | 0 | 0 | 0 | 111.7 | T190 A197 S198 H585 | T190-N194 WeakPolarHBondContact O-CB 3.44Å; T190-N194 PolarHBondContact O-N 3.34Å; N194-A197 WeakPolarHBondContact O-CB 3.46Å; N194-A197 PolarHBondContact O-N 2.95Å; N194-S198 PolarHBondContact O-N 3.31Å; N194-H585 HydrophobicContact CB-CB 3.83Å; N194-H585 PolarHBondContact ND2-O 2.95Å |
| 195 | S | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -72.4 | -32.9 | 176.1 | -52.9 | 0 | 0 | 0 | 0 | 112.8 | I168 L191 A192 V193 A197 S198 I199 H585 | I168-S195 WeakPolarHBondContact CG1-OG 3.4Å; L191-S195 WeakPolarHBondContact O-CB 3.24Å; L191-S195 PolarHBondContact O-N 3.44Å; L191-S195 PolarHBondContact O-OG 3.19Å; A192-S195 PolarHBondContact O-N 3.37Å; V193-S195 VanDerWaalsContact C-N 3.32Å; V193-S195 PolarHBondContact O-N 3.04Å; S195-A197 VanDerWaalsContact C-N 3.33Å; S195-S198 PolarHBondContact O-N 2.74Å; S195-S198 PolarHBondContact O-OG 3.15Å; S195-I199 PolarHBondContact O-N 3.07Å; S195-H585 PolarHBondContact OG-ND1 3.5Å |
| 196 | A | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.7 | -40.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V160 A192 V193 I199 G200 C201 V203 L222 L226 | V160-A196 HydrophobicContact CG2-CB 4.27Å; A192-A196 WeakPolarHBondContact O-CB 3.42Å; A192-A196 PolarHBondContact O-N 2.96Å; V193-A196 PolarHBondContact O-N 3.37Å; A196-I199 WeakPolarHBondContact O-CG1 3.34Å; A196-I199 PolarHBondContact O-N 3.45Å; A196-G200 PolarHBondContact O-N 2.92Å; A196-C201 HydrophobicContact CB-CB 4.06Å; A196-C201 WeakPolarHBondContact O-CB 3.23Å; A196-C201 PolarHBondContact O-N 3.3Å; A196-V203 HydrophobicContact CB-CG1 4.42Å; A196-L222 HydrophobicContact CB-CD1 3.86Å; A196-L226 HydrophobicContact CB-CD2 4.22Å |
| 197 | A | 97.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 16.4 Ų | 16.4 | 3% | 0.033 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.6 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V193 N194 S195 I199 G200 V203 F592 | V193-A197 PolarHBondContact O-N 3.11Å; N194-A197 WeakPolarHBondContact O-CB 3.46Å; N194-A197 PolarHBondContact O-N 2.95Å; S195-A197 VanDerWaalsContact C-N 3.33Å; A197-I199 PolarHBondContact O-N 2.96Å; A197-G200 PolarHBondContact O-N 3.3Å; A197-V203 HydrophobicContact CB-CB 4.45Å; A197-V203 HydrophobicContact CB-CG1 4.04Å; A197-V203 HydrophobicContact CB-CG2 3.56Å; A197-F592 HydrophobicContact CB-CZ 4.43Å; A197-F592 WeakPolarHBondContact O-CE1 3.31Å |
| 198 | S | 97 | Very high | 95.2 | Very high | 5 Ų | 5 | 16 Ų | 16 | 4% | 0.035 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.3 | -24.2 | -177.5 | 75.5 | 0 | 0 | 0 | 0 | 113.6 | N194 S195 N398 | N194-S198 PolarHBondContact O-N 3.31Å; S195-S198 PolarHBondContact O-N 2.74Å; S195-S198 PolarHBondContact O-OG 3.15Å; S198-N398 WeakPolarHBondContact O-CB 3.26Å; S198-N398 PolarHBondContact O-ND2 2.88Å |
| 199 | I | 96.4 | Very high | 95 | Very high | 8 Ų | 8 | 20.3 Ų | 20.3 | 4% | 0.041 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 4 | 174.5 | 67.8 | 171.2 | 0 | 0 | 0 | 113.7 | V160 A163 T167 S195 A196 A197 L226 R229 | V160-I199 HydrophobicContact CG1-CD1 4.29Å; A163-I199 HydrophobicContact CB-CD1 4.08Å; T167-I199 HydrophobicContact CG2-CG2 3.51Å; S195-I199 PolarHBondContact O-N 3.07Å; A196-I199 WeakPolarHBondContact O-CG1 3.34Å; A196-I199 PolarHBondContact O-N 3.45Å; A197-I199 PolarHBondContact O-N 2.96Å; I199-L226 HydrophobicContact CD1-CD2 4.08Å; I199-R229 HydrophobicContact CD1-CG 4.16Å; I199-R229 PolarHBondContact O-NE 3Å; I199-R229 PolarHBondContact O-NH2 3.35Å |
| 200 | G | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | 15 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A196 A197 Y408 | A196-G200 PolarHBondContact O-N 2.92Å; A197-G200 PolarHBondContact O-N 3.3Å; G200-Y408 PolarHBondContact O-OH 2.93Å |
| 201 | C | 96 | Very high | 94.6 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.02 | 12% | 0.12 | C | C | . | . | trans | -74.7 | 139.3 | 167.7 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | A196 V203 Q225 S402 | A196-C201 HydrophobicContact CB-CB 4.06Å; A196-C201 WeakPolarHBondContact O-CB 3.23Å; A196-C201 PolarHBondContact O-N 3.3Å; C201-V203 PolarHBondContact O-N 3.24Å; C201-Q225 HydrophobicContact CB-CB 4.24Å; C201-S402 WeakPolarHBondContact O-CA 3.34Å | ||
| 202 | C | 94.4 | Very high | 94.4 | Very high | 35 Ų | 35 | 23.8 Ų | 23.8 | 24% | 0.236 | 13% | 0.134 | C | C | . | . | trans | -71.7 | 115.9 | 169.4 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | Q225 G404 | C202-Q225 PolarHBondContact O-NE2 3.37Å; C202-Q225 PolarHBondContact O-OE1 2.97Å; C202-G404 VanDerWaalsContact SG-CA 3.51Å | ||
| 203 | V | 90.7 | Very high | 94.1 | Very high | 9 Ų | 9 | 29 Ų | 29 | 6% | 0.055 | 16% | 0.159 | C | C | . | . | trans | -113.7 | 16 | 178.4 | -62.4 | 0 | 0 | 0 | 0 | 112.3 | V193 A196 A197 C201 N205 T206 | V193-V203 HydrophobicContact CG1-CB 4.06Å; V193-V203 HydrophobicContact CG1-CG1 4.09Å; A196-V203 HydrophobicContact CB-CG1 4.42Å; A197-V203 HydrophobicContact CB-CB 4.45Å; A197-V203 HydrophobicContact CB-CG1 4.04Å; A197-V203 HydrophobicContact CB-CG2 3.56Å; C201-V203 PolarHBondContact O-N 3.24Å; V203-N205 PolarHBondContact O-N 3.06Å; V203-T206 PolarHBondContact O-N 2.88Å | ||
| 204 | V | 87.4 | Confident | 93.8 | Very high | 59 Ų | 59 | 29.5 Ų | 29.5 | 36% | 0.358 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 124.4 | 171.7 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | T206 L403 | V204-T206 PolarHBondContact O-N 2.83Å; V204-L403 WeakPolarHBondContact CG2-O 3.46Å |
| 205 | N | 85.1 | Confident | 93.5 | Very high | 138 Ų | 138 | 30.7 Ų | 30.7 | 74% | 0.738 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 22.1 | -174.3 | -48.2 | -40.8 | 0 | 0 | 0 | 114.8 | V203 | V203-N205 PolarHBondContact O-N 3.06Š|
| 206 | T | 89.3 | Confident | 93.3 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 9% | 0.092 | 18% | 0.177 | C | C | . | . | trans | -112.6 | 89.2 | 172.3 | -59.8 | 0 | 0 | 0 | 0 | 109.1 | V193 V203 V204 I211 I218 L222 | V193-T206 WeakPolarHBondContact CG1-O 3.27Å; V193-T206 HydrophobicContact CG2-CG2 4.24Å; V203-T206 PolarHBondContact O-N 2.88Å; V204-T206 PolarHBondContact O-N 2.83Å; T206-I211 HydrophobicContact CG2-CD1 4.3Å; T206-I218 HydrophobicContact CG2-CG2 3.73Å; T206-L222 HydrophobicContact CG2-CD2 4.32Å | ||
| 207 | G | 90.9 | Very high | 92.9 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | trans | -95 | 154.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E209 D210 I211 | G207-E209 PolarHBondContact O-N 3.34Å; G207-D210 PolarHBondContact N-OD2 3.22Å; G207-D210 WeakPolarHBondContact O-CB 3.36Å; G207-D210 PolarHBondContact O-N 3.29Å; G207-D210 VanDerWaalsContact O-N 3.16Å; G207-I211 PolarHBondContact O-N 2.93Å | ||
| 208 | P | 95.1 | Very high | 92.7 | Very high | 17 Ų | 17 | 36.1 Ų | 36.1 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -52 | -38.2 | 168.4 | -27.7 | 36.6 | 0 | 0 | 0 | 112.8 | L189 T190 D210 I211 M212 | L189-P208 HydrophobicContact CB-CB 3.78Å; L189-P208 WeakPolarHBondContact CD1-O 3.43Å; T190-P208 WeakPolarHBondContact OG1-CG 3.44Å; P208-D210 PolarHBondContact O-N 3.46Å; P208-I211 PolarHBondContact O-N 3.44Å; P208-M212 WeakPolarHBondContact O-CB 3.43Å; P208-M212 PolarHBondContact O-N 3.19Å |
| 209 | E | 94 | Very high | 92.7 | Very high | 89 Ų | 89 | 35.9 Ų | 35.9 | 42% | 0.416 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.2 | -39.6 | 179.2 | -66.3 | 76.5 | -170.1 | 0 | 0 | 112.4 | H186 G207 I211 M212 Q213 | H186-E209 IonicContact CD2-OE1 3.5Å; H186-E209 IonicContact CE1-OE1 2.98Å; H186-E209 IonicContact NE2-OE1 2.64Å; H186-E209 PolarHBondContact NE2-OE1 3.44Å; G207-E209 PolarHBondContact O-N 3.34Å; E209-I211 VanDerWaalsContact C-N 3.34Å; E209-M212 PolarHBondContact O-N 2.97Å; E209-Q213 WeakPolarHBondContact O-CB 3.49Å; E209-Q213 VanDerWaalsContact O-CG 3.24Å; E209-Q213 WeakPolarHBondContact O-CG 3.41Å; E209-Q213 PolarHBondContact O-N 2.86Å |
| 210 | D | 92.7 | Very high | 92.6 | Very high | 30 Ų | 30 | 35.7 Ų | 35.7 | 16% | 0.16 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 178.6 | -63 | -55.2 | 0 | 0 | 0 | 111.6 | G207 P208 Q213 G214 K215 I218 | G207-D210 PolarHBondContact N-OD2 3.22Å; G207-D210 WeakPolarHBondContact O-CB 3.36Å; G207-D210 PolarHBondContact O-N 3.29Å; G207-D210 VanDerWaalsContact O-N 3.16Å; P208-D210 PolarHBondContact O-N 3.46Å; D210-Q213 PolarHBondContact O-N 2.65Å; D210-G214 PolarHBondContact O-N 3.38Å; D210-K215 HydrophobicContact CB-CB 4.46Å; D210-K215 HydrophobicContact CB-CD 3.92Å; D210-K215 HydrophobicContact CB-CG 4.4Å; D210-K215 WeakPolarHBondContact O-CB 3.47Å; D210-K215 PolarHBondContact O-N 3.26Å; D210-K215 WeakPolarHBondContact OD1-CD 3.43Å; D210-K215 VanDerWaalsContact OD1-CE 3.27Å; D210-K215 WeakPolarHBondContact OD1-CE 3.27Å; D210-K215 IonicContact OD1-NZ 3.58Å; D210-K215 PolarHBondContact OD1-NZ 2.9Å; D210-I218 HydrophobicContact CB-CD1 3.56Å; D210-I218 HydrophobicContact CB-CG2 4.23Å |
| 211 | I | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.1 | -43 | 177 | -58.5 | 168.8 | 0 | 0 | 0 | 110.2 | L156 L189 V193 T206 G207 P208 E209 Q213 G214 I218 V219 L222 | L156-I211 HydrophobicContact CD1-CD1 4.13Å; L156-I211 HydrophobicContact CD1-CG2 3.69Å; L189-I211 HydrophobicContact CD1-CB 4.45Å; L189-I211 HydrophobicContact CD1-CG2 4.49Å; L189-I211 HydrophobicContact CD2-CB 4.04Å; L189-I211 HydrophobicContact CD2-CG2 3.45Å; L189-I211 VanDerWaalsContact CD2-CG2 3.45Å; V193-I211 HydrophobicContact CG2-CD1 3.55Å; T206-I211 HydrophobicContact CG2-CD1 4.3Å; G207-I211 PolarHBondContact O-N 2.93Å; P208-I211 PolarHBondContact O-N 3.44Å; E209-I211 VanDerWaalsContact C-N 3.34Å; I211-Q213 VanDerWaalsContact C-N 3.26Å; I211-Q213 PolarHBondContact O-N 3.45Å; I211-G214 WeakPolarHBondContact O-CA 3.46Å; I211-G214 PolarHBondContact O-N 3.31Å; I211-I218 HydrophobicContact CG1-CG2 4.47Å; I211-V219 HydrophobicContact CB-CG2 4.37Å; I211-V219 HydrophobicContact CG1-CG2 4.29Å; I211-V219 HydrophobicContact CG2-CG2 4.07Å; I211-L222 HydrophobicContact CD1-CD2 4.04Å |
| 212 | M | 93.9 | Very high | 92.6 | Very high | 58 Ų | 58 | 36.8 Ų | 36.8 | 29% | 0.286 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.2 | -35.3 | 177.4 | -166.8 | 169.9 | 62.8 | 0 | 0 | 112 | K151 V182 V185 L189 P208 E209 G214 | K151-M212 WeakPolarHBondContact CD-O 3.24Å; K151-M212 VanDerWaalsContact CE-O 3.23Å; K151-M212 WeakPolarHBondContact CE-O 3.39Å; V182-M212 HydrophobicContact CG1-CE 4.35Å; V182-M212 HydrophobicContact CG1-SD 3.81Å; V185-M212 HydrophobicContact CG1-SD 4.36Å; L189-M212 HydrophobicContact CD1-CB 3.7Å; L189-M212 HydrophobicContact CD1-CG 4.31Å; P208-M212 WeakPolarHBondContact O-CB 3.43Å; P208-M212 PolarHBondContact O-N 3.19Å; E209-M212 PolarHBondContact O-N 2.97Å; M212-G214 VanDerWaalsContact C-N 3.26Å; M212-G214 PolarHBondContact O-N 3.45Å |
| 213 | Q | 92.5 | Very high | 92.7 | Very high | 112 Ų | 112 | 35.1 Ų | 35.1 | 52% | 0.523 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -14.7 | 172.8 | -70.9 | 172 | 18.2 | 0 | 0 | 113.3 | E209 D210 I211 K215 | E209-Q213 WeakPolarHBondContact O-CB 3.49Å; E209-Q213 VanDerWaalsContact O-CG 3.24Å; E209-Q213 WeakPolarHBondContact O-CG 3.41Å; E209-Q213 PolarHBondContact O-N 2.86Å; D210-Q213 PolarHBondContact O-N 2.65Å; I211-Q213 VanDerWaalsContact C-N 3.26Å; I211-Q213 PolarHBondContact O-N 3.45Å; Q213-K215 HydrophobicContact CB-CG 4.4Å; Q213-K215 VanDerWaalsContact OE1-CE 3.28Å |
| 214 | G | 91.4 | Very high | 92.9 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 13% | 0.134 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 34.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D210 I211 M212 R216 | D210-G214 PolarHBondContact O-N 3.38Å; I211-G214 WeakPolarHBondContact O-CA 3.46Å; I211-G214 PolarHBondContact O-N 3.31Å; M212-G214 VanDerWaalsContact C-N 3.26Å; M212-G214 PolarHBondContact O-N 3.45Å; G214-R216 PolarHBondContact O-N 3.22Å |
| 215 | K | 92 | Very high | 93.4 | Very high | 34 Ų | 34 | 35 Ų | 35 | 15% | 0.148 | 18% | 0.183 | C | C | . | . | trans | -63 | 100.4 | 175.8 | -69.3 | -168.2 | -179 | 172 | 0 | 110.1 | V98 D210 Q213 H217 I218 V219 | V98-K215 HydrophobicContact CG1-CG 4.24Å; V98-K215 HydrophobicContact CG2-CG 4.26Å; D210-K215 HydrophobicContact CB-CB 4.46Å; D210-K215 HydrophobicContact CB-CD 3.92Å; D210-K215 HydrophobicContact CB-CG 4.4Å; D210-K215 WeakPolarHBondContact O-CB 3.47Å; D210-K215 PolarHBondContact O-N 3.26Å; D210-K215 WeakPolarHBondContact OD1-CD 3.43Å; D210-K215 VanDerWaalsContact OD1-CE 3.27Å; D210-K215 WeakPolarHBondContact OD1-CE 3.27Å; D210-K215 IonicContact OD1-NZ 3.58Å; D210-K215 PolarHBondContact OD1-NZ 2.9Å; Q213-K215 HydrophobicContact CB-CG 4.4Å; Q213-K215 VanDerWaalsContact OE1-CE 3.28Å; K215-H217 PolarHBondContact O-N 2.77Å; K215-I218 HydrophobicContact CB-CB 4.33Å; K215-I218 HydrophobicContact CB-CD1 4.04Å; K215-I218 HydrophobicContact CB-CG1 4.43Å; K215-I218 HydrophobicContact CD-CD1 3.84Å; K215-I218 PolarHBondContact O-N 3.26Å; K215-V219 PolarHBondContact O-N 3Å; K215-V219 VanDerWaalsContact O-N 3.13Å | ||
| 216 | R | 94.1 | Very high | 94 | Very high | 45 Ų | 45 | 28.6 Ų | 28.6 | 17% | 0.17 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -51.1 | -49.3 | -167.8 | -57.6 | -167.3 | 177.7 | -161 | 8.8 | 114.2 | F96 V109 D143 Y147 G214 I218 V219 L220 | F96-R216 VanDerWaalsContact CZ-CZ 3.45Å; V109-R216 HydrophobicContact CG1-CB 3.83Å; V109-R216 HydrophobicContact CG2-CB 4.47Å; D143-R216 IonicContact OD1-CZ 3.77Å; D143-R216 IonicContact OD1-NH1 3.84Å; D143-R216 PolarHBondContact OD1-NH1 2.94Å; D143-R216 IonicContact OD1-NH2 2.71Å; D143-R216 IonicContact OD2-CZ 3.64Å; D143-R216 IonicContact OD2-NH1 2.67Å; D143-R216 PolarHBondContact OD2-NH1 3.39Å; D143-R216 VanDerWaalsContact OD2-NH1 3.09Å; D143-R216 IonicContact OD2-NH2 3.36Å; D143-R216 PolarHBondContact OD2-NH2 3.4Å; Y147-R216 HydrophobicContact CD1-CB 4.29Å; Y147-R216 HydrophobicContact CD1-CG 4.39Å; Y147-R216 HydrophobicContact CD2-CB 4.16Å; Y147-R216 HydrophobicContact CD2-CG 3.51Å; Y147-R216 HydrophobicContact CE1-CB 3.85Å; Y147-R216 HydrophobicContact CE1-CG 4.28Å; Y147-R216 WeakPolarHBondContact CE1-O 3.43Å; Y147-R216 HydrophobicContact CE2-CB 3.79Å; Y147-R216 HydrophobicContact CE2-CG 3.45Å; Y147-R216 VanDerWaalsContact CE2-CG 3.45Å; Y147-R216 HydrophobicContact CG-CB 4.42Å; Y147-R216 HydrophobicContact CG-CG 4.02Å; G214-R216 PolarHBondContact O-N 3.22Å; R216-I218 VanDerWaalsContact C-N 3.31Å; R216-I218 PolarHBondContact O-N 2.84Å; R216-V219 PolarHBondContact O-N 2.91Å; R216-L220 VanDerWaalsContact O-CB 3.25Å; R216-L220 WeakPolarHBondContact O-CB 3.04Å; R216-L220 PolarHBondContact O-N 3.39Å |
| 217 | H | 90.1 | Very high | 94.3 | Very high | 54 Ų | 54 | 27.9 Ų | 27.9 | 25% | 0.25 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.4 | -31.5 | -177.5 | 65.9 | -81.1 | 0 | 0 | 0 | 113.6 | H107 V109 K215 G221 | H107-H217 HydrophobicContact CB-CB 4.09Å; H107-H217 VanDerWaalsContact CB-ND1 3.27Å; H107-H217 WeakPolarHBondContact CB-ND1 3.34Å; H107-H217 AromaticContact CD2-CE1 3.42Å; H107-H217 PolarHBondContact CD2-CE1 3.42Å; H107-H217 VanDerWaalsContact CD2-CE1 3.42Å; H107-H217 AromaticContact CD2-NE2 3.72Å; H107-H217 AromaticContact CE1-NE2 3.55Å; H107-H217 AromaticContact CG-CD2 3.79Å; H107-H217 AromaticContact CG-CE1 3.32Å; H107-H217 AromaticContact CG-CG 3.81Å; H107-H217 AromaticContact CG-ND1 3.53Å; H107-H217 AromaticContact CG-NE2 3.49Å; H107-H217 AromaticContact ND1-CD2 3.54Å; H107-H217 AromaticContact ND1-CE1 3.75Å; H107-H217 AromaticContact ND1-CG 3.96Å; H107-H217 AromaticContact ND1-NE2 3.39Å; H107-H217 PolarHBondContact ND1-NE2 3.02Å; H107-H217 AromaticContact NE2-CE1 3.88Å; H107-H217 AromaticContact NE2-NE2 3.76Å; V109-H217 HydrophobicContact CG1-CB 3.99Å; K215-H217 PolarHBondContact O-N 2.77Å; H217-G221 PolarHBondContact O-N 3.2Å |
| 218 | I | 92.7 | Very high | 94.5 | Very high | 19 Ų | 19 | 28.7 Ų | 28.7 | 10% | 0.097 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73.7 | -48.5 | 176.8 | -69.3 | 170.8 | 0 | 0 | 0 | 109.8 | T206 D210 I211 K215 R216 G221 L222 | T206-I218 HydrophobicContact CG2-CG2 3.73Å; D210-I218 HydrophobicContact CB-CD1 3.56Å; D210-I218 HydrophobicContact CB-CG2 4.23Å; I211-I218 HydrophobicContact CG1-CG2 4.47Å; K215-I218 HydrophobicContact CB-CB 4.33Å; K215-I218 HydrophobicContact CB-CD1 4.04Å; K215-I218 HydrophobicContact CB-CG1 4.43Å; K215-I218 HydrophobicContact CD-CD1 3.84Å; K215-I218 PolarHBondContact O-N 3.26Å; R216-I218 VanDerWaalsContact C-N 3.31Å; R216-I218 PolarHBondContact O-N 2.84Å; I218-G221 PolarHBondContact O-N 3.4Å; I218-L222 WeakPolarHBondContact O-CB 3.39Å; I218-L222 PolarHBondContact O-N 3.19Å |
| 219 | V | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.9 | -47 | -179.4 | -179.3 | 0 | 0 | 0 | 0 | 111 | Y147 C150 I211 K215 R216 G221 L222 I223 | Y147-V219 HydrophobicContact CD1-CB 3.79Å; Y147-V219 HydrophobicContact CD1-CG1 3.86Å; Y147-V219 HydrophobicContact CD1-CG2 4.49Å; Y147-V219 HydrophobicContact CE1-CB 4.34Å; C150-V219 HydrophobicContact CB-CG1 3.93Å; I211-V219 HydrophobicContact CB-CG2 4.37Å; I211-V219 HydrophobicContact CG1-CG2 4.29Å; I211-V219 HydrophobicContact CG2-CG2 4.07Å; K215-V219 PolarHBondContact O-N 3Å; K215-V219 VanDerWaalsContact O-N 3.13Å; R216-V219 PolarHBondContact O-N 2.91Å; V219-G221 PolarHBondContact O-N 3.43Å; V219-L222 PolarHBondContact O-N 2.73Å; V219-I223 HydrophobicContact CG1-CD1 3.99Å; V219-I223 WeakPolarHBondContact O-CG1 3.18Å; V219-I223 PolarHBondContact O-N 3.5Å |
| 220 | L | 95.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.2 | -40.8 | 178.4 | -163.8 | 70.6 | 0 | 0 | 0 | 111.7 | V109 E113 E114 F117 L146 Y147 R216 I223 W224 | V109-L220 HydrophobicContact CB-CD2 3.73Å; V109-L220 HydrophobicContact CG1-CB 4.49Å; V109-L220 HydrophobicContact CG1-CD2 4.02Å; E113-L220 HydrophobicContact CB-CD2 4.1Å; E114-L220 HydrophobicContact CB-CD1 4.32Å; F117-L220 HydrophobicContact CD2-CD1 3.58Å; F117-L220 HydrophobicContact CD2-CG 4.09Å; F117-L220 HydrophobicContact CE2-CD1 4.14Å; F117-L220 HydrophobicContact CE2-CG 4.15Å; L146-L220 HydrophobicContact CD2-CD1 4.16Å; Y147-L220 HydrophobicContact CE1-CB 4.16Å; R216-L220 VanDerWaalsContact O-CB 3.25Å; R216-L220 WeakPolarHBondContact O-CB 3.04Å; R216-L220 PolarHBondContact O-N 3.39Å; L220-I223 PolarHBondContact O-N 3.29Å; L220-W224 PolarHBondContact O-N 2.92Å |
| 221 | G | 93.5 | Very high | 94.6 | Very high | 24 Ų | 24 | 26 Ų | 26 | 25% | 0.247 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.7 | -39.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | H217 I218 V219 Q225 | H217-G221 PolarHBondContact O-N 3.2Å; I218-G221 PolarHBondContact O-N 3.4Å; V219-G221 PolarHBondContact O-N 3.43Å; G221-Q225 WeakPolarHBondContact O-CG 3.41Å; G221-Q225 PolarHBondContact O-N 3.47Å; G221-Q225 VanDerWaalsContact O-N 3.11Å |
| 222 | L | 96.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.6 | -44.7 | 174.1 | 179.9 | 60.1 | 0 | 0 | 0 | 111.5 | L156 A196 T206 I211 I218 V219 W224 Q225 L226 | L156-L222 HydrophobicContact CD1-CD2 4.38Å; L156-L222 HydrophobicContact CD2-CD2 4.32Å; A196-L222 HydrophobicContact CB-CD1 3.86Å; T206-L222 HydrophobicContact CG2-CD2 4.32Å; I211-L222 HydrophobicContact CD1-CD2 4.04Å; I218-L222 WeakPolarHBondContact O-CB 3.39Å; I218-L222 PolarHBondContact O-N 3.19Å; V219-L222 PolarHBondContact O-N 2.73Å; L222-W224 VanDerWaalsContact C-N 3.34Å; L222-W224 PolarHBondContact O-N 3.27Å; L222-Q225 PolarHBondContact O-N 3.32Å; L222-L226 HydrophobicContact CD1-CG 4.48Å; L222-L226 HydrophobicContact CG-CD1 4.31Å; L222-L226 WeakPolarHBondContact O-CG 3.41Å; L222-L226 PolarHBondContact O-N 3.18Å |
| 223 | I | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.6 | -46.2 | 176.5 | -70 | 167.6 | 0 | 0 | 0 | 110.8 | F117 I121 L146 L156 L159 V219 L220 Q225 L226 I227 | F117-I223 HydrophobicContact CB-CG2 3.91Å; F117-I223 HydrophobicContact CD2-CG2 4.01Å; F117-I223 HydrophobicContact CG-CG2 4.16Å; I121-I223 HydrophobicContact CD1-CD1 4.24Å; I121-I223 HydrophobicContact CD1-CG2 4.11Å; L146-I223 HydrophobicContact CD1-CD1 4.16Å; L146-I223 HydrophobicContact CD2-CD1 3.92Å; L146-I223 HydrophobicContact CG-CD1 4.16Å; L156-I223 HydrophobicContact CD2-CG1 4.15Å; L159-I223 HydrophobicContact CD1-CG1 4.31Å; V219-I223 HydrophobicContact CG1-CD1 3.99Å; V219-I223 WeakPolarHBondContact O-CG1 3.18Å; V219-I223 PolarHBondContact O-N 3.5Å; L220-I223 PolarHBondContact O-N 3.29Å; I223-Q225 VanDerWaalsContact C-N 3.33Å; I223-Q225 PolarHBondContact O-N 3.02Å; I223-L226 PolarHBondContact O-N 2.88Å; I223-I227 HydrophobicContact CG2-CD1 3.78Å; I223-I227 HydrophobicContact CG2-CG1 4.4Å; I223-I227 WeakPolarHBondContact O-CG1 3.35Å; I223-I227 PolarHBondContact O-N 2.91Å |
| 224 | W | 95.5 | Very high | 94.6 | Very high | 17 Ų | 17 | 19.6 Ų | 19.6 | 6% | 0.064 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56.9 | -46.5 | 175.1 | 168.1 | -116.1 | 0 | 0 | 0 | 112 | F117 L220 L222 L226 I227 R228 I232 R361 L364 A365 | F117-W224 AromaticContact CE1-CE3 3.7Å; F117-W224 HydrophobicContact CE1-CE3 3.7Å; F117-W224 HydrophobicContact CE1-CZ3 4.24Å; F117-W224 HydrophobicContact CE2-CB 3.74Å; F117-W224 HydrophobicContact CE2-CE3 4.46Å; F117-W224 HydrophobicContact CZ-CB 3.9Å; F117-W224 HydrophobicContact CZ-CD2 4.09Å; F117-W224 AromaticContact CZ-CE3 3.49Å; F117-W224 HydrophobicContact CZ-CE3 3.49Å; F117-W224 VanDerWaalsContact CZ-CE3 3.49Å; F117-W224 HydrophobicContact CZ-CG 4.28Å; F117-W224 HydrophobicContact CZ-CZ3 4.37Å; L220-W224 PolarHBondContact O-N 2.92Å; L222-W224 VanDerWaalsContact C-N 3.34Å; L222-W224 PolarHBondContact O-N 3.27Å; W224-L226 VanDerWaalsContact C-N 3.29Å; W224-L226 PolarHBondContact O-N 3.37Å; W224-I227 HydrophobicContact CE3-CB 4.44Å; W224-I227 HydrophobicContact CE3-CG2 4.36Å; W224-I227 HydrophobicContact CZ3-CG2 4.25Å; W224-I227 PolarHBondContact O-N 3.28Å; W224-R228 HydrophobicContact CD2-CB 4.47Å; W224-R228 HydrophobicContact CH2-CB 4.38Å; W224-R228 HydrophobicContact CZ2-CB 4.03Å; W224-R228 HydrophobicContact CZ2-CG 4.15Å; W224-R228 WeakPolarHBondContact O-CB 3.35Å; W224-R228 PolarHBondContact O-N 3.33Å; W224-I232 HydrophobicContact CH2-CD1 3.83Å; W224-I232 HydrophobicContact CZ3-CD1 4.4Å; W224-R361 HydrophobicContact CD2-CB 4.3Å; W224-R361 HydrophobicContact CD2-CG 4.17Å; W224-R361 HydrophobicContact CE3-CB 4.08Å; W224-R361 HydrophobicContact CE3-CG 4.44Å; W224-R361 HydrophobicContact CH2-CB 3.59Å; W224-R361 HydrophobicContact CH2-CG 3.81Å; W224-R361 HydrophobicContact CZ2-CB 3.85Å; W224-R361 HydrophobicContact CZ2-CG 3.5Å; W224-R361 VanDerWaalsContact CZ2-CG 3.5Å; W224-R361 HydrophobicContact CZ3-CB 3.72Å; W224-R361 HydrophobicContact CZ3-CG 4.28Å; W224-L364 HydrophobicContact CH2-CD2 4.26Å; W224-L364 HydrophobicContact CZ2-CD2 4.39Å; W224-A365 HydrophobicContact CZ3-CB 4.28Å |
| 225 | Q | 96.5 | Very high | 94.7 | Very high | 48 Ų | 48 | 19 Ų | 19 | 22% | 0.224 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.8 | -38.3 | 179.8 | -72 | -176.7 | 85 | 0 | 0 | 112.2 | C201 C202 G221 L222 I223 R229 | C201-Q225 HydrophobicContact CB-CB 4.24Å; C202-Q225 PolarHBondContact O-NE2 3.37Å; C202-Q225 PolarHBondContact O-OE1 2.97Å; G221-Q225 WeakPolarHBondContact O-CG 3.41Å; G221-Q225 PolarHBondContact O-N 3.47Å; G221-Q225 VanDerWaalsContact O-N 3.11Å; L222-Q225 PolarHBondContact O-N 3.32Å; I223-Q225 VanDerWaalsContact C-N 3.33Å; I223-Q225 PolarHBondContact O-N 3.02Å; Q225-R229 VanDerWaalsContact O-CB 3.28Å; Q225-R229 WeakPolarHBondContact O-CB 3.42Å; Q225-R229 PolarHBondContact O-N 3.19Å |
| 226 | L | 97.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.6 | -43.8 | 175 | -66 | 172.8 | 0 | 0 | 0 | 111.9 | L159 V160 A163 A196 I199 L222 I223 W224 R229 G230 | L159-L226 HydrophobicContact CB-CD1 3.83Å; V160-L226 HydrophobicContact CB-CD2 4.5Å; V160-L226 HydrophobicContact CG2-CD1 4.24Å; V160-L226 HydrophobicContact CG2-CD2 3.83Å; A163-L226 HydrophobicContact CB-CB 4.19Å; A163-L226 HydrophobicContact CB-CD2 4.08Å; A163-L226 VanDerWaalsContact CB-O 3.23Å; A163-L226 WeakPolarHBondContact CB-O 3.43Å; A196-L226 HydrophobicContact CB-CD2 4.22Å; I199-L226 HydrophobicContact CD1-CD2 4.08Å; L222-L226 HydrophobicContact CD1-CG 4.48Å; L222-L226 HydrophobicContact CG-CD1 4.31Å; L222-L226 WeakPolarHBondContact O-CG 3.41Å; L222-L226 PolarHBondContact O-N 3.18Å; I223-L226 PolarHBondContact O-N 2.88Å; W224-L226 VanDerWaalsContact C-N 3.29Å; W224-L226 PolarHBondContact O-N 3.37Å; L226-R229 PolarHBondContact O-N 3.17Å; L226-G230 PolarHBondContact O-N 3.44Å |
| 227 | I | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.9 | -50.8 | 173.7 | -69.6 | 169.4 | 0 | 0 | 0 | 110.2 | F117 W120 I223 W224 R229 G230 L231 F341 A365 | F117-I227 HydrophobicContact CB-CD1 3.91Å; F117-I227 HydrophobicContact CD1-CD1 3.44Å; F117-I227 VanDerWaalsContact CD1-CD1 3.44Å; F117-I227 HydrophobicContact CD2-CD1 4.33Å; F117-I227 HydrophobicContact CE1-CD1 4.06Å; F117-I227 HydrophobicContact CG-CD1 3.63Å; W120-I227 HydrophobicContact CD2-CD1 4.21Å; W120-I227 HydrophobicContact CD2-CG1 4.08Å; W120-I227 HydrophobicContact CE3-CD1 3.64Å; W120-I227 HydrophobicContact CE3-CG1 3.52Å; W120-I227 HydrophobicContact CH2-CG1 3.7Å; W120-I227 HydrophobicContact CZ2-CG1 4.23Å; W120-I227 HydrophobicContact CZ3-CD1 3.92Å; W120-I227 HydrophobicContact CZ3-CG1 3.31Å; I223-I227 HydrophobicContact CG2-CD1 3.78Å; I223-I227 HydrophobicContact CG2-CG1 4.4Å; I223-I227 WeakPolarHBondContact O-CG1 3.35Å; I223-I227 PolarHBondContact O-N 2.91Å; W224-I227 HydrophobicContact CE3-CB 4.44Å; W224-I227 HydrophobicContact CE3-CG2 4.36Å; W224-I227 HydrophobicContact CZ3-CG2 4.25Å; W224-I227 PolarHBondContact O-N 3.28Å; I227-R229 VanDerWaalsContact C-N 3.27Å; I227-R229 PolarHBondContact O-N 3.29Å; I227-G230 PolarHBondContact O-N 3.04Å; I227-L231 HydrophobicContact CG2-CD1 3.72Å; I227-L231 HydrophobicContact CG2-CG 4.42Å; I227-L231 WeakPolarHBondContact O-CB 3.22Å; I227-L231 PolarHBondContact O-N 3.12Å; I227-F341 HydrophobicContact CG2-CE2 4.12Å; I227-A365 HydrophobicContact CG2-CB 4.48Å |
| 228 | R | 95.6 | Very high | 94.1 | Very high | 33 Ų | 33 | 17.8 Ų | 17.8 | 13% | 0.125 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.7 | -42.8 | 179.5 | -172.9 | 178.7 | 174.3 | -64.8 | -14 | 111 | W224 I232 D233 E262 | W224-R228 HydrophobicContact CD2-CB 4.47Å; W224-R228 HydrophobicContact CH2-CB 4.38Å; W224-R228 HydrophobicContact CZ2-CB 4.03Å; W224-R228 HydrophobicContact CZ2-CG 4.15Å; W224-R228 WeakPolarHBondContact O-CB 3.35Å; W224-R228 PolarHBondContact O-N 3.33Å; R228-I232 HydrophobicContact CB-CD1 4.24Å; R228-I232 HydrophobicContact CG-CB 4.02Å; R228-I232 HydrophobicContact CG-CD1 4.01Å; R228-I232 HydrophobicContact CG-CG2 4.35Å; R228-I232 WeakPolarHBondContact O-CA 3.33Å; R228-I232 WeakPolarHBondContact O-CB 3.47Å; R228-I232 PolarHBondContact O-N 3.17Å; R228-D233 IonicContact CZ-OD1 2.69Å; R228-D233 IonicContact NH1-OD1 3.09Å; R228-D233 PolarHBondContact NH1-OD1 3.47Å; R228-D233 IonicContact NH1-OD2 2.93Å; R228-D233 PolarHBondContact NH1-OD2 2.9Å; R228-D233 IonicContact NH2-OD1 2.72Å; R228-D233 PolarHBondContact NH2-OD1 3.39Å; R228-D233 VanDerWaalsContact NH2-OD1 3.07Å; R228-D233 PolarHBondContact O-N 3.18Å; R228-E262 IonicContact CZ-OE1 3.91Å; R228-E262 IonicContact NE-OE1 2.94Å; R228-E262 PolarHBondContact NE-OE1 2.99Å; R228-E262 VanDerWaalsContact NH2-CD 3.34Å; R228-E262 IonicContact NH2-OE1 3.27Å; R228-E262 PolarHBondContact NH2-OE1 2.67Å; R228-E262 IonicContact NH2-OE2 2.72Å; R228-E262 PolarHBondContact NH2-OE2 3.02Å |
| 229 | R | 95.1 | Very high | 93.8 | Very high | 33 Ų | 33 | 24.6 Ų | 24.6 | 13% | 0.125 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 179.6 | -171.2 | 56.3 | 167.2 | -175.3 | -2 | 112.9 | A163 I199 Q225 L226 I227 D233 N398 | A163-R229 HydrophobicContact CB-CB 4.3Å; I199-R229 HydrophobicContact CD1-CG 4.16Å; I199-R229 PolarHBondContact O-NE 3Å; I199-R229 PolarHBondContact O-NH2 3.35Å; Q225-R229 VanDerWaalsContact O-CB 3.28Å; Q225-R229 WeakPolarHBondContact O-CB 3.42Å; Q225-R229 PolarHBondContact O-N 3.19Å; L226-R229 PolarHBondContact O-N 3.17Å; I227-R229 VanDerWaalsContact C-N 3.27Å; I227-R229 PolarHBondContact O-N 3.29Å; R229-D233 WeakPolarHBondContact CD-OD2 3.3Å; R229-D233 IonicContact NH1-OD2 3.4Å; R229-D233 PolarHBondContact NH1-OD2 2.88Å; R229-D233 VanDerWaalsContact NH1-OD2 3.16Å; R229-N398 PolarHBondContact NH2-OD1 3.23Å |
| 230 | G | 94.4 | Very high | 93.5 | Very high | 22 Ų | 22 | 26 Ų | 26 | 23% | 0.227 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -82.1 | -22.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A163 L226 I227 | A163-G230 WeakPolarHBondContact O-CA 3.48Å; L226-G230 PolarHBondContact O-N 3.44Å; I227-G230 PolarHBondContact O-N 3.04Å |
| 231 | L | 94.4 | Very high | 93.2 | Very high | 23 Ų | 23 | 31.8 Ų | 31.8 | 12% | 0.12 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -111.9 | -40.7 | -175.1 | -64 | -178.2 | 0 | 0 | 0 | 114.4 | I227 T234 F341 A365 N372 | I227-L231 HydrophobicContact CG2-CD1 3.72Å; I227-L231 HydrophobicContact CG2-CG 4.42Å; I227-L231 WeakPolarHBondContact O-CB 3.22Å; I227-L231 PolarHBondContact O-N 3.12Å; L231-T234 PolarHBondContact O-OG1 2.93Å; L231-F341 HydrophobicContact CD1-CD2 3.99Å; L231-A365 HydrophobicContact CD1-CB 4.48Å; L231-N372 PolarHBondContact O-ND2 2.61Å |
| 232 | I | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -49.7 | -169 | -66.9 | 126.1 | 0 | 0 | 0 | 110.4 | W224 R228 T234 I235 P261 E262 L364 A365 A368 | W224-I232 HydrophobicContact CH2-CD1 3.83Å; W224-I232 HydrophobicContact CZ3-CD1 4.4Å; R228-I232 HydrophobicContact CB-CD1 4.24Å; R228-I232 HydrophobicContact CG-CB 4.02Å; R228-I232 HydrophobicContact CG-CD1 4.01Å; R228-I232 HydrophobicContact CG-CG2 4.35Å; R228-I232 WeakPolarHBondContact O-CA 3.33Å; R228-I232 WeakPolarHBondContact O-CB 3.47Å; R228-I232 PolarHBondContact O-N 3.17Å; I232-T234 PolarHBondContact O-N 3.06Å; I232-I235 WeakPolarHBondContact O-CB 3.3Å; I232-I235 WeakPolarHBondContact O-CG1 3.43Å; I232-I235 PolarHBondContact O-N 3.36Å; I232-P261 HydrophobicContact CG2-CB 3.88Å; I232-P261 WeakPolarHBondContact O-CB 3.49Å; I232-E262 HydrophobicContact CG2-CG 4.42Å; I232-L364 HydrophobicContact CD1-CD2 4.29Å; I232-L364 HydrophobicContact CD1-CG 4.06Å; I232-L364 HydrophobicContact CG1-CD1 4.48Å; I232-L364 HydrophobicContact CG1-CG 4.13Å; I232-A365 HydrophobicContact CD1-CB 4.44Å; I232-A368 HydrophobicContact CG1-CB 3.63Å |
| 233 | D | 93.2 | Very high | 92.9 | Very high | 20 Ų | 20 | 33 Ų | 33 | 11% | 0.107 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -13.9 | -179.1 | -79.4 | -20.6 | 0 | 0 | 0 | 114.5 | R228 R229 I235 | R228-D233 IonicContact CZ-OD1 2.69Å; R228-D233 IonicContact NH1-OD1 3.09Å; R228-D233 PolarHBondContact NH1-OD1 3.47Å; R228-D233 IonicContact NH1-OD2 2.93Å; R228-D233 PolarHBondContact NH1-OD2 2.9Å; R228-D233 IonicContact NH2-OD1 2.72Å; R228-D233 PolarHBondContact NH2-OD1 3.39Å; R228-D233 VanDerWaalsContact NH2-OD1 3.07Å; R228-D233 PolarHBondContact O-N 3.18Å; R229-D233 WeakPolarHBondContact CD-OD2 3.3Å; R229-D233 IonicContact NH1-OD2 3.4Å; R229-D233 PolarHBondContact NH1-OD2 2.88Å; R229-D233 VanDerWaalsContact NH1-OD2 3.16Å; D233-I235 VanDerWaalsContact C-N 3.29Å |
| 234 | T | 92.2 | Very high | 92.6 | Very high | 17 Ų | 17 | 33.6 Ų | 33.6 | 10% | 0.104 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -19.2 | 175.5 | 62.2 | 0 | 0 | 0 | 0 | 112.5 | L231 I232 T236 R239 H240 | L231-T234 PolarHBondContact O-OG1 2.93Å; I232-T234 PolarHBondContact O-N 3.06Å; T234-T236 VanDerWaalsContact C-N 3.34Å; T234-T236 PolarHBondContact O-N 3.16Å; T234-T236 PolarHBondContact O-OG1 3.31Å; T234-R239 WeakPolarHBondContact O-CB 3.19Å; T234-R239 WeakPolarHBondContact O-CD 3.49Å; T234-H240 PolarHBondContact O-CD2 3.27Å |
| 235 | I | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -76.9 | 83.7 | -178.1 | -53.2 | 178.7 | 0 | 0 | 0 | 109.2 | I232 D233 L243 P261 L264 L265 A368 F371 | I232-I235 WeakPolarHBondContact O-CB 3.3Å; I232-I235 WeakPolarHBondContact O-CG1 3.43Å; I232-I235 PolarHBondContact O-N 3.36Å; D233-I235 VanDerWaalsContact C-N 3.29Å; I235-L243 HydrophobicContact CG2-CD1 4.16Å; I235-P261 HydrophobicContact CB-CB 4.32Å; I235-L264 HydrophobicContact CG2-CB 4.31Å; I235-L264 WeakPolarHBondContact O-CD1 3.15Å; I235-L265 HydrophobicContact CD1-CD1 4.04Å; I235-L265 HydrophobicContact CD1-CD2 4.47Å; I235-A368 HydrophobicContact CD1-CB 3.88Å; I235-F371 HydrophobicContact CB-CD1 4.45Å; I235-F371 HydrophobicContact CB-CE1 4.18Å; I235-F371 HydrophobicContact CD1-CD1 3.61Å; I235-F371 HydrophobicContact CD1-CE1 4.21Å; I235-F371 HydrophobicContact CD1-CG 4.24Å; I235-F371 HydrophobicContact CG1-CD1 3.66Å; I235-F371 HydrophobicContact CG1-CE1 3.77Å; I235-F371 HydrophobicContact CG2-CD1 4.06Å; I235-F371 HydrophobicContact CG2-CE1 3.68Å; I235-F371 HydrophobicContact CG2-CZ 4.01Å | ||
| 236 | T | 90.8 | Very high | 92.2 | Very high | 30 Ų | 30 | 32 Ų | 32 | 18% | 0.184 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -140.1 | 152.9 | -178 | 59.2 | 0 | 0 | 0 | 0 | 109.5 | T234 N238 R239 H240 | T234-T236 VanDerWaalsContact C-N 3.34Å; T234-T236 PolarHBondContact O-N 3.16Å; T234-T236 PolarHBondContact O-OG1 3.31Å; T236-N238 PolarHBondContact O-N 3.22Å; T236-N238 VanDerWaalsContact O-N 3.16Å; T236-R239 PolarHBondContact O-N 2.81Å; T236-R239 VanDerWaalsContact O-N 3.11Å; T236-H240 PolarHBondContact O-N 2.86Å |
| 237 | L | 89 | Confident | 91.8 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -30.7 | 178.9 | -92.3 | 80 | 0 | 0 | 0 | 113.3 | H240 K241 L243 I244 L256 L264 V386 | L237-H240 CarbonylContact O-C 3.57Å; L237-K241 WeakPolarHBondContact O-CA 3.5Å; L237-K241 PolarHBondContact O-N 3.23Å; L237-L243 HydrophobicContact CD1-CB 4.2Å; L237-L243 HydrophobicContact CD1-CD1 4.47Å; L237-L243 HydrophobicContact CG-CB 4.25Å; L237-I244 HydrophobicContact CD2-CD1 4.47Å; L237-L256 HydrophobicContact CD1-CB 4.38Å; L237-L256 HydrophobicContact CD1-CD2 3.95Å; L237-L256 HydrophobicContact CD1-CG 3.82Å; L237-L256 HydrophobicContact CD2-CB 4.41Å; L237-L256 HydrophobicContact CD2-CD2 4.11Å; L237-L256 HydrophobicContact CD2-CG 4.43Å; L237-L256 HydrophobicContact CG-CD2 4.39Å; L237-L264 HydrophobicContact CD1-CD1 4.27Å; L237-L264 HydrophobicContact CD1-CD2 3.94Å; L237-V386 HydrophobicContact CB-CG1 4.08Å; L237-V386 HydrophobicContact CB-CG2 3.97Å; L237-V386 HydrophobicContact CD2-CG2 4.18Å |
| 238 | N | 84 | Confident | 91.5 | Very high | 72 Ų | 72 | 38.4 Ų | 38.4 | 39% | 0.385 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -40 | 178.6 | -176.6 | 26.7 | 0 | 0 | 0 | 112.1 | T236 G388 | T236-N238 PolarHBondContact O-N 3.22Å; T236-N238 VanDerWaalsContact O-N 3.16Å; N238-G388 WeakPolarHBondContact ND2-CA 3.49Å; N238-G388 WeakPolarHBondContact OD1-CA 3.4Å |
| 239 | R | 86.6 | Confident | 91.1 | Very high | 163 Ų | 163 | 45 Ų | 45 | 62% | 0.615 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -29.9 | 178.9 | -67.4 | -171.3 | 178.7 | -157.1 | 3.7 | 113 | T234 T236 | T234-R239 WeakPolarHBondContact O-CB 3.19Å; T234-R239 WeakPolarHBondContact O-CD 3.49Å; T236-R239 PolarHBondContact O-N 2.81Å; T236-R239 VanDerWaalsContact O-N 3.11Å |
| 240 | H | 90.1 | Very high | 90.9 | Very high | 30 Ų | 30 | 47.5 Ų | 47.5 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | trans | -128 | 80.2 | -177.1 | -65.5 | -82.8 | 0 | 0 | 0 | 109.6 | T234 T236 L237 E242 L243 F371 | T234-H240 PolarHBondContact O-CD2 3.27Å; T236-H240 PolarHBondContact O-N 2.86Å; L237-H240 CarbonylContact O-C 3.57Å; H240-E242 VanDerWaalsContact CA-OE2 3.24Å; H240-E242 WeakPolarHBondContact CA-OE2 3.22Å; H240-E242 WeakPolarHBondContact CB-OE1 3.36Å; H240-E242 IonicContact CG-OE1 2.75Å; H240-E242 IonicContact ND1-OE1 2.86Å; H240-E242 PolarHBondContact ND1-OE1 2.69Å; H240-E242 PolarHBondContact O-N 3.4Å; H240-L243 HydrophobicContact CB-CD1 3.71Å; H240-L243 HydrophobicContact CB-CG 3.74Å; H240-L243 VanDerWaalsContact O-CB 3.25Å; H240-L243 WeakPolarHBondContact O-CB 3.44Å; H240-L243 VanDerWaalsContact O-CG 3.31Å; H240-L243 WeakPolarHBondContact O-CG 3.39Å; H240-L243 PolarHBondContact O-N 3.15Å; H240-F371 HydrophobicContact CB-CZ 4.02Å; H240-F371 AromaticContact CD2-CE1 3.79Å; H240-F371 AromaticContact CE1-CE1 3.68Å; H240-F371 AromaticContact CG-CE1 3.77Å; H240-F371 AromaticContact CG-CZ 3.73Å; H240-F371 AromaticContact ND1-CE1 3.71Å; H240-F371 AromaticContact ND1-CZ 3.77Å; H240-F371 AromaticContact NE2-CE1 3.75Å | ||
| 241 | K | 88.1 | Confident | 90.7 | Very high | 126 Ų | 126 | 48.9 Ų | 48.9 | 55% | 0.548 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -61 | -28.4 | -178 | -65.7 | -176.4 | 179.2 | -176.6 | 0 | 112.1 | L237 L243 I244 | L237-K241 WeakPolarHBondContact O-CA 3.5Å; L237-K241 PolarHBondContact O-N 3.23Å; K241-L243 PolarHBondContact O-N 3.45Å; K241-L243 VanDerWaalsContact O-N 3.13Å; K241-I244 WeakPolarHBondContact O-CB 3.38Å; K241-I244 VanDerWaalsContact O-CG2 3.26Å; K241-I244 WeakPolarHBondContact O-CG2 3.46Å; K241-I244 PolarHBondContact O-N 3.49Å; K241-I244 VanDerWaalsContact O-N 3.11Å |
| 242 | E | 90.4 | Very high | 90.3 | Very high | 51 Ų | 51 | 51.2 Ų | 51.2 | 24% | 0.238 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -59 | -21.1 | 175.5 | 68.8 | -84.5 | -164.2 | 0 | 0 | 113.7 | H240 I244 A245 P375 L377 A379 | H240-E242 VanDerWaalsContact CA-OE2 3.24Å; H240-E242 WeakPolarHBondContact CA-OE2 3.22Å; H240-E242 WeakPolarHBondContact CB-OE1 3.36Å; H240-E242 IonicContact CG-OE1 2.75Å; H240-E242 IonicContact ND1-OE1 2.86Å; H240-E242 PolarHBondContact ND1-OE1 2.69Å; H240-E242 PolarHBondContact O-N 3.4Å; E242-I244 PolarHBondContact O-N 2.97Å; E242-A245 WeakPolarHBondContact O-CB 3.31Å; E242-A245 PolarHBondContact O-N 3.3Å; E242-A245 VanDerWaalsContact O-N 3.07Å; E242-P375 HydrophobicContact CG-CB 4.19Å; E242-L377 HydrophobicContact CB-CB 4.08Å; E242-L377 HydrophobicContact CG-CB 4.2Å; E242-L377 HydrophobicContact CG-CD1 4.15Å; E242-L377 VanDerWaalsContact O-CD1 3.29Å; E242-L377 WeakPolarHBondContact O-CD1 3.3Å; E242-A379 HydrophobicContact CB-CB 4.31Å |
| 243 | L | 93.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -57.8 | -19.5 | 173.6 | -70.8 | 174.6 | 0 | 0 | 0 | 112.9 | I235 L237 H240 K241 A245 L246 L256 L264 F371 L377 | I235-L243 HydrophobicContact CG2-CD1 4.16Å; L237-L243 HydrophobicContact CD1-CB 4.2Å; L237-L243 HydrophobicContact CD1-CD1 4.47Å; L237-L243 HydrophobicContact CG-CB 4.25Å; H240-L243 HydrophobicContact CB-CD1 3.71Å; H240-L243 HydrophobicContact CB-CG 3.74Å; H240-L243 VanDerWaalsContact O-CB 3.25Å; H240-L243 WeakPolarHBondContact O-CB 3.44Å; H240-L243 VanDerWaalsContact O-CG 3.31Å; H240-L243 WeakPolarHBondContact O-CG 3.39Å; H240-L243 PolarHBondContact O-N 3.15Å; K241-L243 PolarHBondContact O-N 3.45Å; K241-L243 VanDerWaalsContact O-N 3.13Å; L243-A245 PolarHBondContact O-N 2.97Å; L243-L246 HydrophobicContact CD2-CD1 3.58Å; L243-L246 HydrophobicContact CD2-CG 4.49Å; L243-L246 VanDerWaalsContact O-CB 3.26Å; L243-L246 WeakPolarHBondContact O-CB 3.44Å; L243-L246 WeakPolarHBondContact O-CG 3.26Å; L243-L246 PolarHBondContact O-N 3.3Å; L243-L256 WeakPolarHBondContact O-CD2 3.38Å; L243-L264 HydrophobicContact CD1-CD1 4.26Å; L243-F371 HydrophobicContact CD1-CZ 4.41Å; L243-F371 HydrophobicContact CD2-CE2 3.57Å; L243-F371 HydrophobicContact CD2-CZ 3.65Å; L243-F371 HydrophobicContact CG-CE2 4.47Å; L243-F371 HydrophobicContact CG-CZ 4.12Å; L243-L377 HydrophobicContact CD2-CD1 4.07Å |
| 244 | I | 90.8 | Very high | 89.4 | Confident | 12 Ų | 12 | 57.6 Ų | 57.6 | 6% | 0.062 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -55.2 | -23.2 | 173.7 | -163 | 60.2 | 0 | 0 | 0 | 113.2 | L237 K241 E242 L246 L247 A253 F384 | L237-I244 HydrophobicContact CD2-CD1 4.47Å; K241-I244 WeakPolarHBondContact O-CB 3.38Å; K241-I244 VanDerWaalsContact O-CG2 3.26Å; K241-I244 WeakPolarHBondContact O-CG2 3.46Å; K241-I244 PolarHBondContact O-N 3.49Å; K241-I244 VanDerWaalsContact O-N 3.11Å; E242-I244 PolarHBondContact O-N 2.97Å; I244-L246 PolarHBondContact O-N 2.89Å; I244-L247 WeakPolarHBondContact O-CB 3.32Å; I244-L247 PolarHBondContact O-N 3.06Å; I244-A253 HydrophobicContact CD1-CB 3.55Å; I244-F384 HydrophobicContact CD1-CD1 4.14Å |
| 245 | A | 91.1 | Very high | 89.2 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -65.1 | -15.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E242 L243 L247 L377 | E242-A245 WeakPolarHBondContact O-CB 3.31Å; E242-A245 PolarHBondContact O-N 3.3Å; E242-A245 VanDerWaalsContact O-N 3.07Å; L243-A245 PolarHBondContact O-N 2.97Å; A245-L247 VanDerWaalsContact C-N 3.31Å; A245-L377 HydrophobicContact CB-CB 4.12Å; A245-L377 HydrophobicContact CB-CD2 4.34Å |
| 246 | L | 93 | Very high | 88.9 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -88.3 | 4.2 | 179.1 | -54 | -179 | 0 | 0 | 0 | 113.7 | L243 I244 H248 L256 R267 W268 Y271 L377 | L243-L246 HydrophobicContact CD2-CD1 3.58Å; L243-L246 HydrophobicContact CD2-CG 4.49Å; L243-L246 VanDerWaalsContact O-CB 3.26Å; L243-L246 WeakPolarHBondContact O-CB 3.44Å; L243-L246 WeakPolarHBondContact O-CG 3.26Å; L243-L246 PolarHBondContact O-N 3.3Å; I244-L246 PolarHBondContact O-N 2.89Å; L246-H248 PolarHBondContact O-N 3.36Å; L246-L256 HydrophobicContact CB-CD1 4.4Å; L246-L256 HydrophobicContact CB-CD2 4.5Å; L246-R267 HydrophobicContact CB-CB 4.49Å; L246-R267 HydrophobicContact CD1-CB 4.23Å; L246-W268 HydrophobicContact CD1-CB 3.88Å; L246-W268 HydrophobicContact CD2-CB 4.42Å; L246-Y271 HydrophobicContact CD2-CD1 4.15Å; L246-Y271 HydrophobicContact CD2-CD2 4.09Å; L246-Y271 HydrophobicContact CD2-CG 3.68Å; L246-L377 HydrophobicContact CD1-CD1 4.49Å; L246-L377 HydrophobicContact CD2-CD1 4.25Å; L246-L377 HydrophobicContact CD2-CD2 3.85Å; L246-L377 HydrophobicContact CG-CD1 4.15Å |
| 247 | L | 90.4 | Very high | 88.7 | Confident | 30 Ų | 30 | 60.9 Ų | 60.9 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 126 | 179.2 | -165.1 | 71.2 | 0 | 0 | 0 | 110.6 | I244 A245 E251 T252 L256 | I244-L247 WeakPolarHBondContact O-CB 3.32Å; I244-L247 PolarHBondContact O-N 3.06Å; A245-L247 VanDerWaalsContact C-N 3.31Å; L247-E251 HydrophobicContact CD1-CB 3.56Å; L247-E251 VanDerWaalsContact CD2-O 3.26Å; L247-E251 WeakPolarHBondContact CD2-O 3.29Å; L247-E251 HydrophobicContact CG-CB 4.04Å; L247-T252 VanDerWaalsContact CD1-C 3.46Å; L247-T252 WeakPolarHBondContact CD1-O 3.44Å; L247-L256 HydrophobicContact CD1-CB 3.9Å; L247-L256 HydrophobicContact CD1-CD2 4.37Å |
| 248 | H | 90.4 | Very high | 88.5 | Confident | 106 Ų | 106 | 62.9 Ų | 62.9 | 49% | 0.491 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 162.1 | 173.3 | -65.2 | -53.8 | 0 | 0 | 0 | 111.8 | L246 G250 E251 R267 | L246-H248 PolarHBondContact O-N 3.36Å; H248-G250 PolarHBondContact O-N 3.24Å; H248-E251 HydrophobicContact CB-CG 4.12Å; H248-E251 WeakPolarHBondContact CB-OE2 3.47Å; H248-E251 IonicContact CD2-OE1 3.37Å; H248-E251 IonicContact CD2-OE2 2.68Å; H248-E251 IonicContact CG-OE2 3.09Å; H248-E251 PolarHBondContact N-OE2 3.44Å; H248-E251 PolarHBondContact O-N 3.05Å; H248-E251 VanDerWaalsContact O-N 3.11Å; H248-R267 PolarHBondContact CD2-NH1 2.83Å |
| 249 | D | 87.3 | Confident | 88.8 | Confident | 171 Ų | 171 | 60.5 Ų | 60.5 | 91% | 0.914 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 125.6 | 174.6 | -67 | -31.4 | 0 | 0 | 0 | 110.4 | ||
| 250 | G | 89 | Confident | 89.1 | Confident | 86 Ų | 86 | 56.1 Ų | 56.1 | 89% | 0.887 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.8 | -8.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | H248 | H248-G250 PolarHBondContact O-N 3.24Š|
| 251 | E | 90.1 | Very high | 89.3 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 24% | 0.238 | 31% | 0.305 | C | S | . | . | trans | -84.2 | 150.6 | 172 | -67.2 | -177.7 | 151.9 | 0 | 0 | 111.3 | L247 H248 D255 R267 | L247-E251 HydrophobicContact CD1-CB 3.56Å; L247-E251 VanDerWaalsContact CD2-O 3.26Å; L247-E251 WeakPolarHBondContact CD2-O 3.29Å; L247-E251 HydrophobicContact CG-CB 4.04Å; H248-E251 HydrophobicContact CB-CG 4.12Å; H248-E251 WeakPolarHBondContact CB-OE2 3.47Å; H248-E251 IonicContact CD2-OE1 3.37Å; H248-E251 IonicContact CD2-OE2 2.68Å; H248-E251 IonicContact CG-OE2 3.09Å; H248-E251 PolarHBondContact N-OE2 3.44Å; H248-E251 PolarHBondContact O-N 3.05Å; H248-E251 VanDerWaalsContact O-N 3.11Å; E251-D255 HydrophobicContact CB-CB 4.43Å; E251-R267 VanDerWaalsContact CD-NH1 3.31Å; E251-R267 IonicContact OE1-CZ 3.9Å; E251-R267 IonicContact OE1-NH1 2.77Å; E251-R267 PolarHBondContact OE1-NH1 3.49Å; E251-R267 VanDerWaalsContact OE1-NH1 3.14Å; E251-R267 IonicContact OE1-NH2 3.39Å; E251-R267 PolarHBondContact OE1-NH2 2.72Å; E251-R267 IonicContact OE2-CZ 2.81Å; E251-R267 IonicContact OE2-NH1 3.53Å; E251-R267 PolarHBondContact OE2-NH1 3.41Å; E251-R267 IonicContact OE2-NH2 3.7Å | ||
| 252 | T | 87.2 | Confident | 89.6 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 44% | 0.442 | 29% | 0.288 | S | S | . | . | trans | -98.2 | 161 | 168.9 | 69.4 | 0 | 0 | 0 | 0 | 110.7 | L247 E254 D255 L256 | L247-T252 VanDerWaalsContact CD1-C 3.46Å; L247-T252 WeakPolarHBondContact CD1-O 3.44Å; T252-E254 PolarHBondContact O-N 2.84Å; T252-E254 PolarHBondContact OG1-N 3.11Å; T252-D255 WeakPolarHBondContact CB-OD2 3.45Å; T252-D255 PolarHBondContact N-OD2 2.9Å; T252-D255 WeakPolarHBondContact O-CB 3.35Å; T252-D255 PolarHBondContact O-N 2.97Å; T252-D255 PolarHBondContact OG1-N 3.13Å; T252-D255 PolarHBondContact OG1-OD2 2.89Å; T252-L256 PolarHBondContact O-N 3.05Å; T252-L256 VanDerWaalsContact O-N 3.13Å | ||
| 253 | A | 86 | Confident | 89.8 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -25.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I244 L256 S257 F384 | I244-A253 HydrophobicContact CD1-CB 3.55Å; A253-L256 PolarHBondContact O-N 3Å; A253-S257 WeakPolarHBondContact O-CB 3.32Å; A253-S257 PolarHBondContact O-N 3.42Å; A253-F384 HydrophobicContact CB-CD1 3.78Å; A253-F384 HydrophobicContact CB-CD2 3.88Å; A253-F384 HydrophobicContact CB-CE1 3.28Å; A253-F384 HydrophobicContact CB-CE2 3.42Å; A253-F384 VanDerWaalsContact CB-CE2 3.42Å; A253-F384 HydrophobicContact CB-CG 4.08Å; A253-F384 HydrophobicContact CB-CZ 3.12Å |
| 254 | E | 83.8 | Confident | 89.9 | Confident | 144 Ų | 144 | 52.6 Ų | 52.6 | 67% | 0.673 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.3 | -45.5 | 170.6 | -66.8 | -177.8 | -176.3 | 0 | 0 | 110.7 | T252 L256 S257 T258 | T252-E254 PolarHBondContact O-N 2.84Å; T252-E254 PolarHBondContact OG1-N 3.11Å; E254-L256 VanDerWaalsContact C-N 3.32Å; E254-L256 PolarHBondContact O-N 3.22Å; E254-S257 WeakPolarHBondContact CA-OG 3.17Å; E254-S257 WeakPolarHBondContact O-CB 3.48Å; E254-S257 PolarHBondContact O-N 3.18Å; E254-S257 VanDerWaalsContact O-N 3.09Å; E254-S257 PolarHBondContact O-OG 2.81Å; E254-T258 VanDerWaalsContact O-CG2 3.29Å; E254-T258 WeakPolarHBondContact O-CG2 2.96Å; E254-T258 PolarHBondContact O-N 3.19Å; E254-T258 VanDerWaalsContact O-N 3.13Å |
| 255 | D | 86.8 | Confident | 90.2 | Very high | 74 Ų | 74 | 52 Ų | 52 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.4 | -47.3 | 176 | -58.2 | -50.2 | 0 | 0 | 0 | 110.8 | E251 T252 S257 T258 | E251-D255 HydrophobicContact CB-CB 4.43Å; T252-D255 WeakPolarHBondContact CB-OD2 3.45Å; T252-D255 PolarHBondContact N-OD2 2.9Å; T252-D255 WeakPolarHBondContact O-CB 3.35Å; T252-D255 PolarHBondContact O-N 2.97Å; T252-D255 PolarHBondContact OG1-N 3.13Å; T252-D255 PolarHBondContact OG1-OD2 2.89Å; D255-S257 VanDerWaalsContact C-N 3.3Å; D255-S257 PolarHBondContact O-N 3.35Å; D255-T258 PolarHBondContact O-N 2.99Å; D255-T258 VanDerWaalsContact O-N 3.13Å; D255-T258 PolarHBondContact O-OG1 3.06Å |
| 256 | L | 88.8 | Confident | 90.5 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 177.3 | -164.7 | 72.1 | 0 | 0 | 0 | 112.1 | L237 L243 L246 L247 T252 A253 E254 T258 L259 L264 R267 | L237-L256 HydrophobicContact CD1-CB 4.38Å; L237-L256 HydrophobicContact CD1-CD2 3.95Å; L237-L256 HydrophobicContact CD1-CG 3.82Å; L237-L256 HydrophobicContact CD2-CB 4.41Å; L237-L256 HydrophobicContact CD2-CD2 4.11Å; L237-L256 HydrophobicContact CD2-CG 4.43Å; L237-L256 HydrophobicContact CG-CD2 4.39Å; L243-L256 WeakPolarHBondContact O-CD2 3.38Å; L246-L256 HydrophobicContact CB-CD1 4.4Å; L246-L256 HydrophobicContact CB-CD2 4.5Å; L247-L256 HydrophobicContact CD1-CB 3.9Å; L247-L256 HydrophobicContact CD1-CD2 4.37Å; T252-L256 PolarHBondContact O-N 3.05Å; T252-L256 VanDerWaalsContact O-N 3.13Å; A253-L256 PolarHBondContact O-N 3Å; E254-L256 VanDerWaalsContact C-N 3.32Å; E254-L256 PolarHBondContact O-N 3.22Å; L256-T258 PolarHBondContact O-N 2.8Å; L256-L259 HydrophobicContact CD1-CD1 3.69Å; L256-L259 WeakPolarHBondContact O-CB 3.48Å; L256-L259 PolarHBondContact O-N 3.18Å; L256-L264 HydrophobicContact CD1-CD2 3.97Å; L256-L264 HydrophobicContact CG-CD2 4Å; L256-R267 VanDerWaalsContact CD1-NH1 3.31Å |
| 257 | S | 86.3 | Confident | 90.6 | Very high | 41 Ų | 41 | 54.9 Ų | 54.9 | 29% | 0.287 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.2 | -22 | 177.2 | 80.1 | 0 | 0 | 0 | 0 | 113.4 | A253 E254 D255 L259 H411 | A253-S257 WeakPolarHBondContact O-CB 3.32Å; A253-S257 PolarHBondContact O-N 3.42Å; E254-S257 WeakPolarHBondContact CA-OG 3.17Å; E254-S257 WeakPolarHBondContact O-CB 3.48Å; E254-S257 PolarHBondContact O-N 3.18Å; E254-S257 VanDerWaalsContact O-N 3.09Å; E254-S257 PolarHBondContact O-OG 2.81Å; D255-S257 VanDerWaalsContact C-N 3.3Å; D255-S257 PolarHBondContact O-N 3.35Å; S257-L259 VanDerWaalsContact C-N 3.33Å; S257-H411 PolarHBondContact O-CE1 3.26Å; S257-H411 PolarHBondContact O-NE2 3.4Å |
| 258 | T | 86 | Confident | 91 | Very high | 47 Ų | 47 | 53.4 Ų | 53.4 | 29% | 0.288 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -8.6 | 177.6 | 70.2 | 0 | 0 | 0 | 0 | 114.2 | E254 D255 L256 H411 | E254-T258 VanDerWaalsContact O-CG2 3.29Å; E254-T258 WeakPolarHBondContact O-CG2 2.96Å; E254-T258 PolarHBondContact O-N 3.19Å; E254-T258 VanDerWaalsContact O-N 3.13Å; D255-T258 PolarHBondContact O-N 2.99Å; D255-T258 VanDerWaalsContact O-N 3.13Å; D255-T258 PolarHBondContact O-OG1 3.06Å; L256-T258 PolarHBondContact O-N 2.8Å; T258-H411 VanDerWaalsContact C-CD2 3.46Å; T258-H411 PolarHBondContact O-CD2 2.79Å; T258-H411 PolarHBondContact O-NE2 3.04Å |
| 259 | L | 90.4 | Very high | 91.4 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 12% | 0.12 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -72.9 | 147.7 | 179.9 | -62.5 | 179.8 | 0 | 0 | 0 | 111.8 | L256 S257 E263 L264 H411 | L256-L259 HydrophobicContact CD1-CD1 3.69Å; L256-L259 WeakPolarHBondContact O-CB 3.48Å; L256-L259 PolarHBondContact O-N 3.18Å; S257-L259 VanDerWaalsContact C-N 3.33Å; L259-E263 WeakPolarHBondContact CA-OE2 3.42Å; L259-E263 HydrophobicContact CB-CB 4.15Å; L259-E263 HydrophobicContact CD2-CB 4.48Å; L259-L264 HydrophobicContact CB-CD2 4.11Å; L259-L264 HydrophobicContact CB-CG 3.9Å; L259-L264 HydrophobicContact CD1-CD2 4Å; L259-L264 HydrophobicContact CD1-CG 4.5Å; L259-H411 PolarHBondContact O-NE2 2.83Å |
| 260 | K | 92 | Very high | 91.9 | Very high | 70 Ų | 70 | 41.7 Ų | 41.7 | 30% | 0.304 | 23% | 0.234 | S | C | . | . | trans | -71.2 | 155.2 | 172.5 | -66.7 | 178.9 | -179.5 | 172.9 | 0 | 110.7 | E262 E263 L264 | K260-E262 PolarHBondContact O-N 3.03Å; K260-E263 HydrophobicContact CB-CG 4.25Å; K260-E263 PolarHBondContact N-OE2 3.47Å; K260-E263 WeakPolarHBondContact O-CB 3.34Å; K260-E263 PolarHBondContact O-N 3.07Å; K260-L264 PolarHBondContact O-N 3.18Å | ||
| 261 | P | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.1 | -38.3 | 177.2 | -26.9 | 33.9 | 0 | 0 | 0 | 113.8 | I232 I235 L264 L265 T410 | I232-P261 HydrophobicContact CG2-CB 3.88Å; I232-P261 WeakPolarHBondContact O-CB 3.49Å; I235-P261 HydrophobicContact CB-CB 4.32Å; P261-L264 PolarHBondContact O-N 2.82Å; P261-L265 VanDerWaalsContact O-CB 3.31Å; P261-L265 WeakPolarHBondContact O-CB 3.43Å; P261-L265 PolarHBondContact O-N 3.07Å; P261-T410 HydrophobicContact CG-CG2 4.46Å |
| 262 | E | 94.5 | Very high | 92.6 | Very high | 41 Ų | 41 | 38.1 Ų | 38.1 | 19% | 0.192 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.1 | -66.3 | 88.5 | 167.9 | 0 | 0 | 112.5 | R228 I232 K260 L265 M266 F285 L364 | R228-E262 IonicContact CZ-OE1 3.91Å; R228-E262 IonicContact NE-OE1 2.94Å; R228-E262 PolarHBondContact NE-OE1 2.99Å; R228-E262 VanDerWaalsContact NH2-CD 3.34Å; R228-E262 IonicContact NH2-OE1 3.27Å; R228-E262 PolarHBondContact NH2-OE1 2.67Å; R228-E262 IonicContact NH2-OE2 2.72Å; R228-E262 PolarHBondContact NH2-OE2 3.02Å; I232-E262 HydrophobicContact CG2-CG 4.42Å; K260-E262 PolarHBondContact O-N 3.03Å; E262-L265 PolarHBondContact O-N 3.3Å; E262-M266 WeakPolarHBondContact O-CB 3.34Å; E262-M266 PolarHBondContact O-N 2.98Å; E262-F285 HydrophobicContact CB-CE2 3.97Å; E262-F285 HydrophobicContact CB-CZ 4.42Å; E262-F285 HydrophobicContact CG-CE2 4.47Å; E262-F285 WeakPolarHBondContact O-CZ 3.45Å; E262-L364 HydrophobicContact CG-CD1 4.04Å; E262-L364 HydrophobicContact CG-CD2 3.89Å |
| 263 | E | 94.3 | Very high | 93.1 | Very high | 88 Ų | 88 | 34.7 Ų | 34.7 | 41% | 0.411 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -70.2 | -41.8 | 178.6 | -65.2 | 168.9 | 158.5 | 0 | 0 | 110.9 | L259 K260 M266 R267 | L259-E263 WeakPolarHBondContact CA-OE2 3.42Å; L259-E263 HydrophobicContact CB-CB 4.15Å; L259-E263 HydrophobicContact CD2-CB 4.48Å; K260-E263 HydrophobicContact CB-CG 4.25Å; K260-E263 PolarHBondContact N-OE2 3.47Å; K260-E263 WeakPolarHBondContact O-CB 3.34Å; K260-E263 PolarHBondContact O-N 3.07Å; E263-M266 PolarHBondContact O-N 3.37Å; E263-R267 WeakPolarHBondContact O-CG 3.36Å; E263-R267 PolarHBondContact O-N 3.14Å |
| 264 | L | 95.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 173.3 | -73.2 | 168.4 | 0 | 0 | 0 | 111.4 | I235 L237 L243 L256 L259 K260 P261 M266 R267 W268 | I235-L264 HydrophobicContact CG2-CB 4.31Å; I235-L264 WeakPolarHBondContact O-CD1 3.15Å; L237-L264 HydrophobicContact CD1-CD1 4.27Å; L237-L264 HydrophobicContact CD1-CD2 3.94Å; L243-L264 HydrophobicContact CD1-CD1 4.26Å; L256-L264 HydrophobicContact CD1-CD2 3.97Å; L256-L264 HydrophobicContact CG-CD2 4Å; L259-L264 HydrophobicContact CB-CD2 4.11Å; L259-L264 HydrophobicContact CB-CG 3.9Å; L259-L264 HydrophobicContact CD1-CD2 4Å; L259-L264 HydrophobicContact CD1-CG 4.5Å; K260-L264 PolarHBondContact O-N 3.18Å; P261-L264 PolarHBondContact O-N 2.82Å; L264-M266 VanDerWaalsContact C-N 3.34Å; L264-M266 PolarHBondContact O-N 2.91Å; L264-R267 PolarHBondContact O-N 2.88Å; L264-W268 WeakPolarHBondContact O-CB 3.27Å; L264-W268 PolarHBondContact O-N 3.37Å |
| 265 | L | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.7 | -39.7 | 177.4 | -174.5 | 67.6 | 0 | 0 | 0 | 111.5 | I235 P261 E262 W268 V269 F285 L364 L367 A368 F371 | I235-L265 HydrophobicContact CD1-CD1 4.04Å; I235-L265 HydrophobicContact CD1-CD2 4.47Å; P261-L265 VanDerWaalsContact O-CB 3.31Å; P261-L265 WeakPolarHBondContact O-CB 3.43Å; P261-L265 PolarHBondContact O-N 3.07Å; E262-L265 PolarHBondContact O-N 3.3Å; L265-W268 HydrophobicContact CD1-CD2 4.34Å; L265-W268 HydrophobicContact CD1-CE3 3.51Å; L265-W268 HydrophobicContact CD1-CZ3 3.9Å; L265-W268 HydrophobicContact CG-CE3 4.42Å; L265-W268 WeakPolarHBondContact O-CB 3.25Å; L265-W268 PolarHBondContact O-N 3.33Å; L265-V269 WeakPolarHBondContact O-CG2 3.49Å; L265-V269 PolarHBondContact O-N 2.73Å; L265-F285 HydrophobicContact CD2-CE1 4.08Å; L265-F285 HydrophobicContact CD2-CZ 4.4Å; L265-F285 HydrophobicContact CG-CE1 4.38Å; L265-L364 HydrophobicContact CD2-CD1 3.66Å; L265-L367 HydrophobicContact CD2-CB 3.93Å; L265-L367 HydrophobicContact CG-CB 4.41Å; L265-A368 HydrophobicContact CD2-CB 4.08Å; L265-F371 HydrophobicContact CD1-CB 3.63Å; L265-F371 HydrophobicContact CD1-CG 4.13Å |
| 266 | M | 97.5 | Very high | 94.5 | Very high | 42 Ų | 42 | 36.3 Ų | 36.3 | 21% | 0.207 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 175.3 | -168 | 177.8 | -69.2 | 0 | 0 | 111.7 | E262 E263 L264 W268 V269 N270 I282 T283 F285 | E262-M266 WeakPolarHBondContact O-CB 3.34Å; E262-M266 PolarHBondContact O-N 2.98Å; E263-M266 PolarHBondContact O-N 3.37Å; L264-M266 VanDerWaalsContact C-N 3.34Å; L264-M266 PolarHBondContact O-N 2.91Å; M266-W268 VanDerWaalsContact C-N 3.34Å; M266-V269 PolarHBondContact O-N 3.15Å; M266-N270 WeakPolarHBondContact O-CB 3.45Å; M266-N270 PolarHBondContact O-N 2.78Å; M266-N270 PolarHBondContact O-ND2 2.93Å; M266-I282 HydrophobicContact CB-CD1 4.48Å; M266-I282 HydrophobicContact CG-CD1 3.89Å; M266-I282 HydrophobicContact CG-CG1 3.8Å; M266-T283 VanDerWaalsContact CE-C 3.44Å; M266-T283 WeakPolarHBondContact CE-O 3.38Å; M266-F285 HydrophobicContact CB-CZ 4.07Å; M266-F285 HydrophobicContact CE-CD2 4.29Å; M266-F285 HydrophobicContact CE-CE2 3.73Å; M266-F285 HydrophobicContact CE-CZ 4.05Å |
| 267 | R | 96.1 | Very high | 94.9 | Very high | 51 Ų | 51 | 39.3 Ų | 39.3 | 19% | 0.192 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 172.8 | -74.2 | -174.9 | -179.6 | -152.3 | 1.8 | 111.8 | L246 H248 E251 L256 E263 L264 N270 Y271 | L246-R267 HydrophobicContact CB-CB 4.49Å; L246-R267 HydrophobicContact CD1-CB 4.23Å; H248-R267 PolarHBondContact CD2-NH1 2.83Å; E251-R267 VanDerWaalsContact CD-NH1 3.31Å; E251-R267 IonicContact OE1-CZ 3.9Å; E251-R267 IonicContact OE1-NH1 2.77Å; E251-R267 PolarHBondContact OE1-NH1 3.49Å; E251-R267 VanDerWaalsContact OE1-NH1 3.14Å; E251-R267 IonicContact OE1-NH2 3.39Å; E251-R267 PolarHBondContact OE1-NH2 2.72Å; E251-R267 IonicContact OE2-CZ 2.81Å; E251-R267 IonicContact OE2-NH1 3.53Å; E251-R267 PolarHBondContact OE2-NH1 3.41Å; E251-R267 IonicContact OE2-NH2 3.7Å; L256-R267 VanDerWaalsContact CD1-NH1 3.31Å; E263-R267 WeakPolarHBondContact O-CG 3.36Å; E263-R267 PolarHBondContact O-N 3.14Å; L264-R267 PolarHBondContact O-N 2.88Å; R267-N270 PolarHBondContact O-N 2.94Å; R267-Y271 VanDerWaalsContact O-CB 3.29Å; R267-Y271 WeakPolarHBondContact O-CB 3.41Å; R267-Y271 PolarHBondContact O-N 3.39Å |
| 268 | W | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -46.6 | 176.4 | 169 | 80 | 0 | 0 | 0 | 112.6 | L246 L264 L265 M266 Y271 H272 L298 I302 L370 F371 P375 | L246-W268 HydrophobicContact CD1-CB 3.88Å; L246-W268 HydrophobicContact CD2-CB 4.42Å; L264-W268 WeakPolarHBondContact O-CB 3.27Å; L264-W268 PolarHBondContact O-N 3.37Å; L265-W268 HydrophobicContact CD1-CD2 4.34Å; L265-W268 HydrophobicContact CD1-CE3 3.51Å; L265-W268 HydrophobicContact CD1-CZ3 3.9Å; L265-W268 HydrophobicContact CG-CE3 4.42Å; L265-W268 WeakPolarHBondContact O-CB 3.25Å; L265-W268 PolarHBondContact O-N 3.33Å; M266-W268 VanDerWaalsContact C-N 3.34Å; W268-Y271 PolarHBondContact O-N 3.36Å; W268-H272 AromaticContact CD1-CD2 3.65Å; W268-H272 AromaticContact CD1-NE2 3.77Å; W268-H272 AromaticContact CE2-CD2 3.66Å; W268-H272 AromaticContact NE1-CD2 3.25Å; W268-H272 PolarHBondContact NE1-CD2 2.72Å; W268-H272 AromaticContact NE1-NE2 3.25Å; W268-H272 PolarHBondContact NE1-NE2 3.47Å; W268-H272 PolarHBondContact O-CD2 2.79Å; W268-H272 PolarHBondContact O-N 2.69Å; W268-L298 HydrophobicContact CH2-CD1 4Å; W268-L298 HydrophobicContact CH2-CD2 3.97Å; W268-L298 HydrophobicContact CH2-CG 4.28Å; W268-L298 HydrophobicContact CZ2-CD1 4.29Å; W268-L298 HydrophobicContact CZ3-CD1 4.24Å; W268-L298 HydrophobicContact CZ3-CD2 3.89Å; W268-I302 HydrophobicContact CH2-CD1 3.78Å; W268-I302 HydrophobicContact CZ2-CD1 3.78Å; W268-I302 HydrophobicContact CZ2-CG2 3.95Å; W268-L370 HydrophobicContact CH2-CB 4.03Å; W268-F371 HydrophobicContact CB-CD2 4.5Å; W268-F371 AromaticContact CD1-CD2 3.68Å; W268-F371 AromaticContact CD1-CE2 3.99Å; W268-F371 HydrophobicContact CD2-CB 4.24Å; W268-F371 AromaticContact CD2-CD2 3.75Å; W268-F371 HydrophobicContact CD2-CD2 3.75Å; W268-F371 HydrophobicContact CD2-CG 4.46Å; W268-F371 AromaticContact CE2-CD2 3.72Å; W268-F371 HydrophobicContact CE3-CB 4.14Å; W268-F371 HydrophobicContact CE3-CD2 4.42Å; W268-F371 AromaticContact CG-CD2 3.74Å; W268-F371 HydrophobicContact CG-CD2 3.74Å; W268-F371 HydrophobicContact CG-CE2 4.29Å; W268-F371 HydrophobicContact CH2-CB 4Å; W268-F371 HydrophobicContact CZ2-CB 4.08Å; W268-F371 HydrophobicContact CZ2-CD2 4.35Å; W268-F371 HydrophobicContact CZ3-CB 4.02Å; W268-F371 AromaticContact NE1-CD2 3.64Å; W268-P375 PolarHBondContact NE1-O 2.64Å |
| 269 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -50.7 | 175.4 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | L265 M266 Y271 H272 L273 I282 V294 L298 L367 | L265-V269 WeakPolarHBondContact O-CG2 3.49Å; L265-V269 PolarHBondContact O-N 2.73Å; M266-V269 PolarHBondContact O-N 3.15Å; V269-Y271 VanDerWaalsContact C-N 3.31Å; V269-Y271 PolarHBondContact O-N 3.2Å; V269-H272 PolarHBondContact O-N 3.15Å; V269-H272 VanDerWaalsContact O-N 3.16Å; V269-L273 HydrophobicContact CG1-CD1 3.92Å; V269-L273 HydrophobicContact CG1-CG 4.18Å; V269-L273 WeakPolarHBondContact O-CG 3.33Å; V269-L273 PolarHBondContact O-N 2.98Å; V269-I282 HydrophobicContact CB-CD1 3.69Å; V269-I282 HydrophobicContact CB-CG1 4.06Å; V269-I282 HydrophobicContact CG1-CD1 3.71Å; V269-I282 HydrophobicContact CG1-CG1 3.84Å; V269-I282 HydrophobicContact CG1-CG2 4.34Å; V269-I282 HydrophobicContact CG2-CD1 3.91Å; V269-V294 HydrophobicContact CG1-CG1 3.7Å; V269-L298 HydrophobicContact CG1-CD2 4.41Å; V269-L298 HydrophobicContact CG2-CD2 4.13Å; V269-L367 HydrophobicContact CG2-CD1 4.31Å; V269-L367 HydrophobicContact CG2-CD2 3.96Å |
| 270 | N | 97.5 | Very high | 96 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 17% | 0.166 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.4 | -34.8 | -177.7 | -76.5 | -26.4 | 0 | 0 | 0 | 113.3 | M266 R267 H274 R281 I282 | M266-N270 WeakPolarHBondContact O-CB 3.45Å; M266-N270 PolarHBondContact O-N 2.78Å; M266-N270 PolarHBondContact O-ND2 2.93Å; R267-N270 PolarHBondContact O-N 2.94Å; N270-H274 PolarHBondContact O-N 3.09Å; N270-R281 VanDerWaalsContact OD1-CA 3.22Å; N270-R281 WeakPolarHBondContact OD1-CA 3.44Å; N270-R281 WeakPolarHBondContact OD1-CD 3.41Å; N270-I282 PolarHBondContact ND2-O 2.95Å; N270-I282 PolarHBondContact OD1-N 3.49Å |
| 271 | Y | 96.5 | Very high | 96.3 | Very high | 61 Ų | 61 | 47.8 Ų | 47.8 | 24% | 0.239 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.9 | -47.6 | 172.7 | 171.2 | -93.1 | 0 | 0 | 0 | 111.3 | L246 R267 W268 V269 H274 R275 L377 | L246-Y271 HydrophobicContact CD2-CD1 4.15Å; L246-Y271 HydrophobicContact CD2-CD2 4.09Å; L246-Y271 HydrophobicContact CD2-CG 3.68Å; R267-Y271 VanDerWaalsContact O-CB 3.29Å; R267-Y271 WeakPolarHBondContact O-CB 3.41Å; R267-Y271 PolarHBondContact O-N 3.39Å; W268-Y271 PolarHBondContact O-N 3.36Å; V269-Y271 VanDerWaalsContact C-N 3.31Å; V269-Y271 PolarHBondContact O-N 3.2Å; Y271-H274 PolarHBondContact O-N 2.65Å; Y271-R275 HydrophobicContact CE1-CG 4.42Å; Y271-R275 WeakPolarHBondContact O-CG 3.32Å; Y271-R275 PolarHBondContact O-N 3.13Å; Y271-R275 VanDerWaalsContact O-N 3.13Å; Y271-R275 PolarHBondContact OH-NH1 3.1Å; Y271-L377 HydrophobicContact CD1-CD2 3.51Å; Y271-L377 HydrophobicContact CE1-CD2 3.35Å; Y271-L377 HydrophobicContact CG-CD2 4.36Å |
| 272 | H | 97.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.4 | -36.2 | 179.9 | -79.4 | -60.2 | 0 | 0 | 0 | 113.5 | W268 V269 H274 R275 A276 L298 Q301 I302 P375 G376 | W268-H272 AromaticContact CD1-CD2 3.65Å; W268-H272 AromaticContact CD1-NE2 3.77Å; W268-H272 AromaticContact CE2-CD2 3.66Å; W268-H272 AromaticContact NE1-CD2 3.25Å; W268-H272 PolarHBondContact NE1-CD2 2.72Å; W268-H272 AromaticContact NE1-NE2 3.25Å; W268-H272 PolarHBondContact NE1-NE2 3.47Å; W268-H272 PolarHBondContact O-CD2 2.79Å; W268-H272 PolarHBondContact O-N 2.69Å; V269-H272 PolarHBondContact O-N 3.15Å; V269-H272 VanDerWaalsContact O-N 3.16Å; H272-H274 VanDerWaalsContact C-N 3.3Å; H272-H274 PolarHBondContact O-N 3.13Å; H272-R275 PolarHBondContact O-N 2.75Å; H272-A276 WeakPolarHBondContact O-CB 3.29Å; H272-A276 PolarHBondContact O-N 3.21Å; H272-L298 HydrophobicContact CB-CD1 3.7Å; H272-Q301 HydrophobicContact CB-CG 3.95Å; H272-I302 HydrophobicContact CB-CG2 4.19Å; H272-P375 PolarHBondContact NE2-O 3.06Å; H272-G376 PolarHBondContact CE1-O 2.85Å |
| 273 | L | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.3 | -42 | 172.3 | -67.9 | 178.7 | 0 | 0 | 0 | 111.5 | V269 A276 G277 C278 R280 V294 H297 | V269-L273 HydrophobicContact CG1-CD1 3.92Å; V269-L273 HydrophobicContact CG1-CG 4.18Å; V269-L273 WeakPolarHBondContact O-CG 3.33Å; V269-L273 PolarHBondContact O-N 2.98Å; L273-A276 PolarHBondContact O-N 3.21Å; L273-G277 PolarHBondContact O-N 3.39Å; L273-C278 HydrophobicContact CB-CB 4.28Å; L273-C278 HydrophobicContact CD2-CB 4.28Å; L273-C278 WeakPolarHBondContact O-CB 3.44Å; L273-C278 PolarHBondContact O-N 2.97Å; L273-R280 VanDerWaalsContact CD1-O 3.29Å; L273-R280 WeakPolarHBondContact CD1-O 3.42Å; L273-V294 HydrophobicContact CD1-CG1 4.15Å; L273-V294 HydrophobicContact CD1-CG2 4.18Å; L273-V294 HydrophobicContact CD2-CG1 4.42Å; L273-H297 HydrophobicContact CD2-CB 3.89Å |
| 274 | H | 95.7 | Very high | 96.4 | Very high | 127 Ų | 127 | 48.6 Ų | 48.6 | 59% | 0.588 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.9 | -47 | 174.7 | -178.2 | 55 | 0 | 0 | 0 | 111.9 | N270 Y271 H272 A276 G277 R281 | N270-H274 PolarHBondContact O-N 3.09Å; Y271-H274 PolarHBondContact O-N 2.65Å; H272-H274 VanDerWaalsContact C-N 3.3Å; H272-H274 PolarHBondContact O-N 3.13Å; H274-A276 VanDerWaalsContact C-N 3.28Å; H274-A276 PolarHBondContact O-N 3.32Å; H274-G277 PolarHBondContact O-N 2.94Å; H274-R281 VanDerWaalsContact CB-NH2 3.32Å; H274-R281 PolarHBondContact ND1-NH2 3.31Å |
| 275 | R | 95.4 | Very high | 96.3 | Very high | 102 Ų | 102 | 49.6 Ų | 49.6 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.1 | -30.3 | 178.3 | -69.8 | -176.9 | 70.7 | 178.6 | 15.6 | 113.5 | Y271 H272 G277 G376 D378 | Y271-R275 HydrophobicContact CE1-CG 4.42Å; Y271-R275 WeakPolarHBondContact O-CG 3.32Å; Y271-R275 PolarHBondContact O-N 3.13Å; Y271-R275 VanDerWaalsContact O-N 3.13Å; Y271-R275 PolarHBondContact OH-NH1 3.1Å; H272-R275 PolarHBondContact O-N 2.75Å; R275-G277 PolarHBondContact O-N 2.88Å; R275-G376 PolarHBondContact NH1-O 2.81Å; R275-D378 IonicContact CZ-OD2 2.75Å; R275-D378 IonicContact NH1-OD2 3.78Å; R275-D378 PolarHBondContact NH1-OD2 3.31Å; R275-D378 IonicContact NH2-OD2 3.57Å; R275-D378 PolarHBondContact NH2-OD2 3.19Å |
| 276 | A | 96.2 | Very high | 96 | Very high | 33 Ų | 33 | 51 Ų | 51 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -2.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | H272 L273 H274 C278 H297 Q301 | H272-A276 WeakPolarHBondContact O-CB 3.29Å; H272-A276 PolarHBondContact O-N 3.21Å; L273-A276 PolarHBondContact O-N 3.21Å; H274-A276 VanDerWaalsContact C-N 3.28Å; H274-A276 PolarHBondContact O-N 3.32Å; A276-C278 PolarHBondContact O-N 2.7Å; A276-H297 HydrophobicContact CB-CB 4.33Å; A276-Q301 HydrophobicContact CB-CB 4.26Å; A276-Q301 HydrophobicContact CB-CG 4.39Å |
| 277 | G | 96.6 | Very high | 95.8 | Very high | 64 Ų | 64 | 51.8 Ų | 51.8 | 66% | 0.66 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 20.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L273 H274 R275 | L273-G277 PolarHBondContact O-N 3.39Å; H274-G277 PolarHBondContact O-N 2.94Å; R275-G277 PolarHBondContact O-N 2.88Å |
| 278 | C | 96.2 | Very high | 95.7 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | trans | -89.1 | 128.5 | 176.8 | -173.2 | 0 | 0 | 0 | 0 | 110 | L273 A276 R280 R281 H297 | L273-C278 HydrophobicContact CB-CB 4.28Å; L273-C278 HydrophobicContact CD2-CB 4.28Å; L273-C278 WeakPolarHBondContact O-CB 3.44Å; L273-C278 PolarHBondContact O-N 2.97Å; A276-C278 PolarHBondContact O-N 2.7Å; C278-R280 VanDerWaalsContact C-N 3.31Å; C278-R280 PolarHBondContact O-N 3.1Å; C278-R281 PolarHBondContact O-NH1 3.32Å; C278-H297 HydrophobicContact CB-CB 4.38Å; C278-H297 VanDerWaalsContact SG-CD2 3.54Å | ||
| 279 | D | 94.8 | Very high | 95.6 | Very high | 159 Ų | 159 | 50.8 Ų | 50.8 | 85% | 0.85 | 27% | 0.269 | S | S | * | . | trans | -77.6 | -15.2 | 179.8 | -67.6 | -33.4 | 0 | 0 | 0 | 113.6 | ||||
| 280 | R | 94.9 | Very high | 95.5 | Very high | 91 Ų | 91 | 51 Ų | 51 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | trans | -68.1 | 141.8 | 179.8 | -70.7 | -75 | -72.6 | -98.4 | -10.6 | 111.1 | L273 C278 D288 D291 V293 | L273-R280 VanDerWaalsContact CD1-O 3.29Å; L273-R280 WeakPolarHBondContact CD1-O 3.42Å; C278-R280 VanDerWaalsContact C-N 3.31Å; C278-R280 PolarHBondContact O-N 3.1Å; R280-D288 PolarHBondContact NH2-O 3.15Å; R280-D288 VanDerWaalsContact NH2-O 3.15Å; R280-D291 IonicContact CZ-OD2 3.14Å; R280-D291 VanDerWaalsContact CZ-OD2 3.27Å; R280-D291 IonicContact NH1-OD2 2.83Å; R280-D291 PolarHBondContact NH1-OD2 3.04Å; R280-D291 IonicContact NH2-OD1 3.84Å; R280-D291 PolarHBondContact NH2-OD1 3.2Å; R280-D291 IonicContact NH2-OD2 3.16Å; R280-D291 PolarHBondContact NH2-OD2 3.02Å; R280-V293 HydrophobicContact CG-CG1 4.17Å | ||
| 281 | R | 97 | Very high | 95.4 | Very high | 97 Ų | 97 | 50.9 Ų | 50.9 | 37% | 0.366 | 27% | 0.27 | S | S | . | . | trans | -130 | 138.6 | 169.3 | -64.4 | -67.3 | 177.6 | -80.1 | -8.5 | 108.9 | N270 H274 C278 | N270-R281 VanDerWaalsContact OD1-CA 3.22Å; N270-R281 WeakPolarHBondContact OD1-CA 3.44Å; N270-R281 WeakPolarHBondContact OD1-CD 3.41Å; H274-R281 VanDerWaalsContact CB-NH2 3.32Å; H274-R281 PolarHBondContact ND1-NH2 3.31Å; C278-R281 PolarHBondContact O-NH1 3.32Å | ||
| 282 | I | 97.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | trans | -86.9 | 142.9 | 173.8 | 63.9 | 158 | 0 | 0 | 0 | 110.3 | M266 V269 N270 F285 D288 L289 V294 | M266-I282 HydrophobicContact CB-CD1 4.48Å; M266-I282 HydrophobicContact CG-CD1 3.89Å; M266-I282 HydrophobicContact CG-CG1 3.8Å; V269-I282 HydrophobicContact CB-CD1 3.69Å; V269-I282 HydrophobicContact CB-CG1 4.06Å; V269-I282 HydrophobicContact CG1-CD1 3.71Å; V269-I282 HydrophobicContact CG1-CG1 3.84Å; V269-I282 HydrophobicContact CG1-CG2 4.34Å; V269-I282 HydrophobicContact CG2-CD1 3.91Å; N270-I282 PolarHBondContact ND2-O 2.95Å; N270-I282 PolarHBondContact OD1-N 3.49Å; I282-F285 HydrophobicContact CD1-CE1 4.24Å; I282-D288 WeakPolarHBondContact CA-OD2 3.4Å; I282-D288 HydrophobicContact CB-CB 4.22Å; I282-D288 HydrophobicContact CG2-CB 3.98Å; I282-L289 HydrophobicContact CG2-CD2 3.98Å; I282-V294 HydrophobicContact CG2-CB 4.31Å; I282-V294 HydrophobicContact CG2-CG1 3.88Å; I282-V294 HydrophobicContact CG2-CG2 3.57Å | ||
| 283 | T | 95 | Very high | 95.4 | Very high | 102 Ų | 102 | 49 Ų | 49 | 63% | 0.626 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -127 | -9.7 | 176 | 61.8 | 0 | 0 | 0 | 0 | 111.6 | M266 D288 | M266-T283 VanDerWaalsContact CE-C 3.44Å; M266-T283 WeakPolarHBondContact CE-O 3.38Å; T283-D288 PolarHBondContact N-OD2 3.48Å; T283-D288 PolarHBondContact OG1-OD2 3.23Å |
| 284 | N | 93.3 | Very high | 95.4 | Very high | 43 Ų | 43 | 49 Ų | 49 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -149.2 | 163.6 | 176.1 | 60.9 | 78.6 | 0 | 0 | 0 | 110 | N286 S287 D288 | N284-N286 VanDerWaalsContact C-N 3.3Å; N284-N286 VanDerWaalsContact OD1-C 3.32Å; N284-N286 WeakPolarHBondContact OD1-CA 3.34Å; N284-N286 PolarHBondContact OD1-N 3.34Å; N284-S287 PolarHBondContact ND2-OG 3.48Å; N284-S287 PolarHBondContact OD1-N 3.36Å; N284-S287 PolarHBondContact OD1-OG 3.25Å; N284-D288 PolarHBondContact N-OD2 3.46Å; N284-D288 PolarHBondContact ND2-OD1 2.88Å; N284-D288 PolarHBondContact ND2-OD2 3.2Å; N284-D288 PolarHBondContact OD1-N 2.64Å |
| 285 | F | 93.4 | Very high | 95.6 | Very high | 24 Ų | 24 | 43 Ų | 43 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -94.6 | 24.5 | 176.9 | -62.4 | -75.4 | 0 | 0 | 0 | 112.5 | E262 L265 M266 I282 D360 N363 L364 L367 | E262-F285 HydrophobicContact CB-CE2 3.97Å; E262-F285 HydrophobicContact CB-CZ 4.42Å; E262-F285 HydrophobicContact CG-CE2 4.47Å; E262-F285 WeakPolarHBondContact O-CZ 3.45Å; L265-F285 HydrophobicContact CD2-CE1 4.08Å; L265-F285 HydrophobicContact CD2-CZ 4.4Å; L265-F285 HydrophobicContact CG-CE1 4.38Å; M266-F285 HydrophobicContact CB-CZ 4.07Å; M266-F285 HydrophobicContact CE-CD2 4.29Å; M266-F285 HydrophobicContact CE-CE2 3.73Å; M266-F285 HydrophobicContact CE-CZ 4.05Å; I282-F285 HydrophobicContact CD1-CE1 4.24Å; F285-D360 WeakPolarHBondContact O-CA 3.24Å; F285-N363 WeakPolarHBondContact O-CB 3.27Å; F285-L364 HydrophobicContact CB-CB 4.3Å; F285-L364 HydrophobicContact CD1-CB 4.46Å; F285-L364 HydrophobicContact CD1-CD1 4.06Å; F285-L364 HydrophobicContact CD2-CD1 4.07Å; F285-L364 HydrophobicContact CE1-CD1 3.89Å; F285-L364 HydrophobicContact CE2-CD1 3.93Å; F285-L364 HydrophobicContact CG-CB 4.21Å; F285-L364 HydrophobicContact CG-CD1 4.13Å; F285-L364 HydrophobicContact CZ-CD1 3.82Å; F285-L367 HydrophobicContact CD1-CD1 3.64Å; F285-L367 HydrophobicContact CE1-CD1 3.92Å |
| 286 | N | 90.8 | Very high | 95.7 | Very high | 29 Ų | 29 | 38.1 Ų | 38.1 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -129.8 | -100.8 | -172.9 | -160.8 | 9.4 | 0 | 0 | 0 | 110.7 | N284 D288 L289 A351 G352 D360 | N284-N286 VanDerWaalsContact C-N 3.3Å; N284-N286 VanDerWaalsContact OD1-C 3.32Å; N284-N286 WeakPolarHBondContact OD1-CA 3.34Å; N284-N286 PolarHBondContact OD1-N 3.34Å; N286-D288 PolarHBondContact O-N 2.9Å; N286-D288 VanDerWaalsContact O-N 3.08Å; N286-L289 PolarHBondContact O-N 3.14Å; N286-A351 WeakPolarHBondContact O-CB 3.38Å; N286-A351 VanDerWaalsContact OD1-CA 3.28Å; N286-A351 WeakPolarHBondContact OD1-CA 3.24Å; N286-A351 VanDerWaalsContact OD1-CB 3.32Å; N286-A351 WeakPolarHBondContact OD1-CB 3.33Å; N286-G352 PolarHBondContact OD1-N 2.81Å; N286-D360 HydrophobicContact CB-CB 4.34Å |
| 287 | S | 93 | Very high | 95.8 | Very high | 59 Ų | 59 | 38.6 Ų | 38.6 | 41% | 0.413 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -54.5 | -33 | -174.9 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | N284 L289 A290 | N284-S287 PolarHBondContact ND2-OG 3.48Å; N284-S287 PolarHBondContact OD1-N 3.36Å; N284-S287 PolarHBondContact OD1-OG 3.25Å; S287-L289 PolarHBondContact O-N 3.49Å; S287-A290 WeakPolarHBondContact O-CB 3.42Å; S287-A290 PolarHBondContact O-N 3.12Å |
| 288 | D | 95 | Very high | 95.8 | Very high | 30 Ų | 30 | 35.6 Ų | 35.6 | 16% | 0.16 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -68.8 | -17.4 | -176.1 | -65.4 | 1.3 | 0 | 0 | 0 | 112.9 | R280 I282 T283 N284 N286 | R280-D288 PolarHBondContact NH2-O 3.15Å; R280-D288 VanDerWaalsContact NH2-O 3.15Å; I282-D288 WeakPolarHBondContact CA-OD2 3.4Å; I282-D288 HydrophobicContact CB-CB 4.22Å; I282-D288 HydrophobicContact CG2-CB 3.98Å; T283-D288 PolarHBondContact N-OD2 3.48Å; T283-D288 PolarHBondContact OG1-OD2 3.23Å; N284-D288 PolarHBondContact N-OD2 3.46Å; N284-D288 PolarHBondContact ND2-OD1 2.88Å; N284-D288 PolarHBondContact ND2-OD2 3.2Å; N284-D288 PolarHBondContact OD1-N 2.64Å; N286-D288 PolarHBondContact O-N 2.9Å; N286-D288 VanDerWaalsContact O-N 3.08Å |
| 289 | L | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -98.4 | -10.5 | -178.6 | -56.2 | 174.9 | 0 | 0 | 0 | 112.9 | I282 N286 S287 D291 S292 V294 Y295 I348 N363 L367 | I282-L289 HydrophobicContact CG2-CD2 3.98Å; N286-L289 PolarHBondContact O-N 3.14Å; S287-L289 PolarHBondContact O-N 3.49Å; L289-D291 VanDerWaalsContact C-N 3.28Å; L289-D291 PolarHBondContact O-N 2.98Å; L289-S292 PolarHBondContact O-N 3.36Å; L289-S292 VanDerWaalsContact O-N 3.12Å; L289-V294 HydrophobicContact CD2-CB 3.79Å; L289-V294 HydrophobicContact CD2-CG1 3.55Å; L289-V294 HydrophobicContact CD2-CG2 4.22Å; L289-Y295 HydrophobicContact CB-CE2 3.99Å; L289-Y295 HydrophobicContact CD1-CE2 4.46Å; L289-I348 WeakPolarHBondContact O-CG2 3.4Å; L289-N363 HydrophobicContact CD1-CB 3.61Å; L289-L367 HydrophobicContact CD1-CD1 3.88Å; L289-L367 HydrophobicContact CD2-CD1 4.32Å |
| 290 | A | 95.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 5% | 0.05 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -23.7 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S287 I348 Y349 A351 | S287-A290 WeakPolarHBondContact O-CB 3.42Å; S287-A290 PolarHBondContact O-N 3.12Å; A290-I348 VanDerWaalsContact CA-O 3.31Å; A290-I348 WeakPolarHBondContact CA-O 3.42Å; A290-Y349 WeakPolarHBondContact O-CA 3.38Å; A290-A351 HydrophobicContact CB-CB 4.05Å; A290-A351 WeakPolarHBondContact CB-O 3.44Å |
| 291 | D | 95.7 | Very high | 96 | Very high | 27 Ų | 27 | 28.4 Ų | 28.4 | 14% | 0.144 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 3.6 | -179.6 | 61.8 | 14.2 | 0 | 0 | 0 | 113.8 | R280 L289 V293 R326 | R280-D291 IonicContact CZ-OD2 3.14Å; R280-D291 VanDerWaalsContact CZ-OD2 3.27Å; R280-D291 IonicContact NH1-OD2 2.83Å; R280-D291 PolarHBondContact NH1-OD2 3.04Å; R280-D291 IonicContact NH2-OD1 3.84Å; R280-D291 PolarHBondContact NH2-OD1 3.2Å; R280-D291 IonicContact NH2-OD2 3.16Å; R280-D291 PolarHBondContact NH2-OD2 3.02Å; L289-D291 VanDerWaalsContact C-N 3.28Å; L289-D291 PolarHBondContact O-N 2.98Å; D291-V293 HydrophobicContact CB-CG2 4.31Å; D291-V293 PolarHBondContact O-N 2.69Å; D291-V293 VanDerWaalsContact O-N 3.13Å; D291-V293 WeakPolarHBondContact OD1-CB 3.3Å; D291-V293 WeakPolarHBondContact OD1-CG2 3.28Å; D291-V293 PolarHBondContact OD1-N 3.14Å; D291-R326 WeakPolarHBondContact O-CD 3.44Å |
| 292 | S | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 62.4 | 4.7 | -177.3 | -55.9 | 0 | 0 | 0 | 0 | 115.8 | L289 V294 Y295 A296 A327 | L289-S292 PolarHBondContact O-N 3.36Å; L289-S292 VanDerWaalsContact O-N 3.12Å; S292-V294 VanDerWaalsContact C-N 3.34Å; S292-V294 PolarHBondContact O-N 3.48Å; S292-Y295 PolarHBondContact O-N 2.85Å; S292-A296 WeakPolarHBondContact O-CB 3.46Å; S292-A296 PolarHBondContact O-N 3.16Å; S292-A327 WeakPolarHBondContact OG-CA 3.29Å; S292-A327 PolarHBondContact OG-N 3.43Å |
| 293 | V | 97.7 | Very high | 95.9 | Very high | 22 Ų | 22 | 24.2 Ų | 24.2 | 13% | 0.133 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | -179.9 | 175.8 | 0 | 0 | 0 | 0 | 111 | R280 D291 A296 H297 L318 | R280-V293 HydrophobicContact CG-CG1 4.17Å; D291-V293 HydrophobicContact CB-CG2 4.31Å; D291-V293 PolarHBondContact O-N 2.69Å; D291-V293 VanDerWaalsContact O-N 3.13Å; D291-V293 WeakPolarHBondContact OD1-CB 3.3Å; D291-V293 WeakPolarHBondContact OD1-CG2 3.28Å; D291-V293 PolarHBondContact OD1-N 3.14Å; V293-A296 PolarHBondContact O-N 2.93Å; V293-H297 PolarHBondContact O-CD2 3.49Å; V293-H297 VanDerWaalsContact O-CD2 3.29Å; V293-H297 PolarHBondContact O-N 3.2Å; V293-L318 HydrophobicContact CB-CD2 4.4Å; V293-L318 HydrophobicContact CG2-CD2 3.78Å |
| 294 | V | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.5 | -49.2 | 178.1 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | V269 L273 I282 L289 S292 A296 L298 | V269-V294 HydrophobicContact CG1-CG1 3.7Å; L273-V294 HydrophobicContact CD1-CG1 4.15Å; L273-V294 HydrophobicContact CD1-CG2 4.18Å; L273-V294 HydrophobicContact CD2-CG1 4.42Å; I282-V294 HydrophobicContact CG2-CB 4.31Å; I282-V294 HydrophobicContact CG2-CG1 3.88Å; I282-V294 HydrophobicContact CG2-CG2 3.57Å; L289-V294 HydrophobicContact CD2-CB 3.79Å; L289-V294 HydrophobicContact CD2-CG1 3.55Å; L289-V294 HydrophobicContact CD2-CG2 4.22Å; S292-V294 VanDerWaalsContact C-N 3.34Å; S292-V294 PolarHBondContact O-N 3.48Å; V294-A296 PolarHBondContact O-N 3.31Å; V294-L298 WeakPolarHBondContact O-CB 3.35Å; V294-L298 PolarHBondContact O-N 3.15Å |
| 295 | Y | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | -179.3 | -75.3 | -56.1 | 0 | 0 | 0 | 112.8 | L289 S292 L298 M299 V330 I348 N363 F366 L367 L370 | L289-Y295 HydrophobicContact CB-CE2 3.99Å; L289-Y295 HydrophobicContact CD1-CE2 4.46Å; S292-Y295 PolarHBondContact O-N 2.85Å; Y295-L298 PolarHBondContact O-N 3.41Å; Y295-M299 WeakPolarHBondContact O-CB 3.35Å; Y295-M299 WeakPolarHBondContact O-CG 3.27Å; Y295-M299 PolarHBondContact O-N 3.49Å; Y295-V330 HydrophobicContact CD2-CG1 4.42Å; Y295-V330 HydrophobicContact CG-CG1 4.04Å; Y295-I348 HydrophobicContact CD2-CD1 4.07Å; Y295-I348 HydrophobicContact CD2-CG1 4.47Å; Y295-I348 HydrophobicContact CD2-CG2 4.13Å; Y295-I348 HydrophobicContact CE2-CD1 4.02Å; Y295-I348 HydrophobicContact CE2-CG1 4.02Å; Y295-I348 HydrophobicContact CE2-CG2 4.11Å; Y295-N363 PolarHBondContact OH-OD1 3.43Å; Y295-F366 HydrophobicContact CD1-CD1 4.16Å; Y295-F366 AromaticContact CD1-CE1 3.92Å; Y295-F366 HydrophobicContact CD1-CE1 3.92Å; Y295-F366 AromaticContact CE1-CD1 3.39Å; Y295-F366 HydrophobicContact CE1-CD1 3.39Å; Y295-F366 AromaticContact CE1-CE1 3.64Å; Y295-F366 HydrophobicContact CE1-CE1 3.64Å; Y295-F366 AromaticContact CZ-CD1 3.67Å; Y295-L367 HydrophobicContact CD1-CD2 4.16Å; Y295-L367 HydrophobicContact CE1-CD2 3.55Å; Y295-L367 HydrophobicContact CE1-CG 3.89Å; Y295-L370 HydrophobicContact CD1-CD1 4.45Å |
| 296 | A | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.3 | -53.5 | 180 | 0 | 0 | 0 | 0 | 0 | 111.6 | S292 V293 V294 E300 A314 I317 L318 | S292-A296 WeakPolarHBondContact O-CB 3.46Å; S292-A296 PolarHBondContact O-N 3.16Å; V293-A296 PolarHBondContact O-N 2.93Å; V294-A296 PolarHBondContact O-N 3.31Å; A296-E300 PolarHBondContact O-N 3.43Å; A296-A314 HydrophobicContact CB-CB 3.99Å; A296-I317 HydrophobicContact CB-CB 4.18Å; A296-I317 HydrophobicContact CB-CD1 4.1Å; A296-I317 HydrophobicContact CB-CG2 3.98Å; A296-L318 HydrophobicContact CB-CD2 4.42Å; A296-L318 HydrophobicContact CB-CG 4.26Å |
| 297 | H | 98.1 | Very high | 95.8 | Very high | 43 Ų | 43 | 32.9 Ų | 32.9 | 20% | 0.199 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.2 | -40.1 | 178.9 | -73 | -66.8 | 0 | 0 | 0 | 112.8 | L273 A276 C278 V293 Q301 | L273-H297 HydrophobicContact CD2-CB 3.89Å; A276-H297 HydrophobicContact CB-CB 4.33Å; C278-H297 HydrophobicContact CB-CB 4.38Å; C278-H297 VanDerWaalsContact SG-CD2 3.54Å; V293-H297 PolarHBondContact O-CD2 3.49Å; V293-H297 VanDerWaalsContact O-CD2 3.29Å; V293-H297 PolarHBondContact O-N 3.2Å; H297-Q301 VanDerWaalsContact O-CB 3.25Å; H297-Q301 WeakPolarHBondContact O-CB 3.39Å; H297-Q301 PolarHBondContact O-N 3.47Å |
| 298 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.1 | -50.3 | -178.9 | 179.4 | 66 | 0 | 0 | 0 | 111.3 | W268 V269 H272 V294 Y295 E300 Q301 I302 L367 L370 | W268-L298 HydrophobicContact CH2-CD1 4Å; W268-L298 HydrophobicContact CH2-CD2 3.97Å; W268-L298 HydrophobicContact CH2-CG 4.28Å; W268-L298 HydrophobicContact CZ2-CD1 4.29Å; W268-L298 HydrophobicContact CZ3-CD1 4.24Å; W268-L298 HydrophobicContact CZ3-CD2 3.89Å; V269-L298 HydrophobicContact CG1-CD2 4.41Å; V269-L298 HydrophobicContact CG2-CD2 4.13Å; H272-L298 HydrophobicContact CB-CD1 3.7Å; V294-L298 WeakPolarHBondContact O-CB 3.35Å; V294-L298 PolarHBondContact O-N 3.15Å; Y295-L298 PolarHBondContact O-N 3.41Å; L298-E300 PolarHBondContact O-N 3.3Å; L298-Q301 PolarHBondContact O-N 3.22Å; L298-Q301 VanDerWaalsContact O-N 3.15Å; L298-I302 HydrophobicContact CD1-CD1 4.48Å; L298-I302 HydrophobicContact CD1-CG2 3.78Å; L298-I302 HydrophobicContact CG-CD1 4.21Å; L298-I302 HydrophobicContact CG-CG2 4.46Å; L298-I302 WeakPolarHBondContact O-CG1 3.41Å; L298-I302 WeakPolarHBondContact O-CG2 3.29Å; L298-I302 PolarHBondContact O-N 2.8Å; L298-L367 HydrophobicContact CD2-CD2 3.44Å; L298-L367 VanDerWaalsContact CD2-CD2 3.44Å; L298-L370 HydrophobicContact CD2-CD1 4.38Å |
| 299 | M | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.7 | -41.6 | -178.3 | -69.1 | -179.2 | 76.4 | 0 | 0 | 111.8 | Y295 Q301 V303 V330 N333 N334 L337 L370 | Y295-M299 WeakPolarHBondContact O-CB 3.35Å; Y295-M299 WeakPolarHBondContact O-CG 3.27Å; Y295-M299 PolarHBondContact O-N 3.49Å; M299-Q301 VanDerWaalsContact C-N 3.29Å; M299-Q301 PolarHBondContact O-N 3.43Å; M299-V303 VanDerWaalsContact O-CB 3.32Å; M299-V303 WeakPolarHBondContact O-CB 3.09Å; M299-V303 WeakPolarHBondContact O-CG2 3.26Å; M299-V303 PolarHBondContact O-N 3.45Å; M299-V330 HydrophobicContact SD-CG1 3.92Å; M299-N333 HydrophobicContact CE-CB 3.66Å; M299-N333 HydrophobicContact SD-CB 4.4Å; M299-N334 HydrophobicContact CE-CB 4.27Å; M299-L337 HydrophobicContact CE-CD1 3.57Å; M299-L370 HydrophobicContact CG-CD1 4.2Å |
| 300 | E | 96 | Very high | 95.5 | Very high | 64 Ų | 64 | 45 Ų | 45 | 30% | 0.299 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 174.5 | -176.4 | 167.4 | -149.7 | 0 | 0 | 111.6 | A296 L298 R308 A314 | A296-E300 PolarHBondContact O-N 3.43Å; L298-E300 PolarHBondContact O-N 3.3Å; E300-R308 PolarHBondContact O-NE 3.22Å; E300-R308 PolarHBondContact O-NH2 2.99Å; E300-A314 WeakPolarHBondContact OE2-CB 3.23Å; E300-A314 PolarHBondContact OE2-N 3.44Å |
| 301 | Q | 95.9 | Very high | 95.5 | Very high | 47 Ų | 47 | 45.7 Ų | 45.7 | 22% | 0.22 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.6 | -45.7 | -178.3 | -176.1 | 62.4 | 16.9 | 0 | 0 | 113.3 | H272 A276 H297 L298 M299 R308 | H272-Q301 HydrophobicContact CB-CG 3.95Å; A276-Q301 HydrophobicContact CB-CB 4.26Å; A276-Q301 HydrophobicContact CB-CG 4.39Å; H297-Q301 VanDerWaalsContact O-CB 3.25Å; H297-Q301 WeakPolarHBondContact O-CB 3.39Å; H297-Q301 PolarHBondContact O-N 3.47Å; L298-Q301 PolarHBondContact O-N 3.22Å; L298-Q301 VanDerWaalsContact O-N 3.15Å; M299-Q301 VanDerWaalsContact C-N 3.29Å; M299-Q301 PolarHBondContact O-N 3.43Å; Q301-R308 PolarHBondContact O-NH2 2.88Å; Q301-R308 VanDerWaalsContact O-NH2 3.16Å |
| 302 | I | 96.2 | Very high | 95.5 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 5% | 0.046 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -87.9 | -25.7 | -168.6 | 70.6 | -177 | 0 | 0 | 0 | 114 | W268 H272 L298 L370 | W268-I302 HydrophobicContact CH2-CD1 3.78Å; W268-I302 HydrophobicContact CZ2-CD1 3.78Å; W268-I302 HydrophobicContact CZ2-CG2 3.95Å; H272-I302 HydrophobicContact CB-CG2 4.19Å; L298-I302 HydrophobicContact CD1-CD1 4.48Å; L298-I302 HydrophobicContact CD1-CG2 3.78Å; L298-I302 HydrophobicContact CG-CD1 4.21Å; L298-I302 HydrophobicContact CG-CG2 4.46Å; L298-I302 WeakPolarHBondContact O-CG1 3.41Å; L298-I302 WeakPolarHBondContact O-CG2 3.29Å; L298-I302 PolarHBondContact O-N 2.8Å; I302-L370 HydrophobicContact CD1-CB 4.06Å |
| 303 | V | 95.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -72.9 | 131.5 | -175.7 | 172.3 | 0 | 0 | 0 | 0 | 109.8 | M299 K307 R308 L311 L337 Y374 | M299-V303 VanDerWaalsContact O-CB 3.32Å; M299-V303 WeakPolarHBondContact O-CB 3.09Å; M299-V303 WeakPolarHBondContact O-CG2 3.26Å; M299-V303 PolarHBondContact O-N 3.45Å; V303-K307 HydrophobicContact CG1-CB 3.64Å; V303-R308 PolarHBondContact O-NE 3.2Å; V303-R308 PolarHBondContact O-NH2 3.24Å; V303-L311 HydrophobicContact CB-CD1 4.12Å; V303-L311 HydrophobicContact CG1-CD1 3.86Å; V303-L311 HydrophobicContact CG2-CD1 3.96Å; V303-L337 HydrophobicContact CG1-CD2 3.95Å; V303-L337 HydrophobicContact CG2-CD1 3.74Å; V303-L337 HydrophobicContact CG2-CD2 4.1Å; V303-Y374 HydrophobicContact CG2-CD2 4.21Å; V303-Y374 HydrophobicContact CG2-CE2 4.42Å |
| 304 | P | 93.8 | Very high | 95.5 | Very high | 51 Ų | 51 | 47.8 Ų | 47.8 | 33% | 0.331 | 24% | 0.243 | S | C | . | . | trans | -52.4 | 144.6 | 175 | -30.3 | 37.4 | 0 | 0 | 0 | 113.5 | D306 K307 R308 Y374 | P304-D306 WeakPolarHBondContact CB-OD1 3.45Å; P304-D306 PolarHBondContact O-N 3.21Å; P304-K307 PolarHBondContact O-N 2.96Å; P304-R308 PolarHBondContact O-N 2.92Å; P304-Y374 HydrophobicContact CG-CD1 4.14Å; P304-Y374 HydrophobicContact CG-CE1 4.29Å | ||
| 305 | I | 91.7 | Very high | 95.4 | Very high | 138 Ų | 138 | 52.2 Ų | 52.2 | 71% | 0.708 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -56.2 | -37.8 | -172 | -63.6 | 172.4 | 0 | 0 | 0 | 112.2 | K307 R308 | I305-K307 PolarHBondContact O-N 3.14Å; I305-R308 PolarHBondContact O-N 3.28Å |
| 306 | D | 92.2 | Very high | 95.4 | Very high | 111 Ų | 111 | 57 Ų | 57 | 59% | 0.594 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.6 | -22.7 | 179.4 | 63.1 | -60.1 | 0 | 0 | 0 | 113.8 | P304 C309 | P304-D306 WeakPolarHBondContact CB-OD1 3.45Å; P304-D306 PolarHBondContact O-N 3.21Å; D306-C309 PolarHBondContact O-SG 3.49Å |
| 307 | K | 93.3 | Very high | 95.4 | Very high | 81 Ų | 81 | 57 Ų | 57 | 35% | 0.352 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -99 | -29.3 | 174.8 | -64.9 | -176.6 | -178.6 | -178.1 | 0 | 112.4 | V303 P304 I305 C309 K310 Y374 | V303-K307 HydrophobicContact CG1-CB 3.64Å; P304-K307 PolarHBondContact O-N 2.96Å; I305-K307 PolarHBondContact O-N 3.14Å; K307-C309 PolarHBondContact O-N 3.46Å; K307-K310 WeakPolarHBondContact O-CB 3.34Å; K307-K310 PolarHBondContact O-N 2.82Å; K307-Y374 PolarHBondContact NZ-OH 2.95Å; K307-Y374 VanDerWaalsContact NZ-OH 3.16Å |
| 308 | R | 93.5 | Very high | 95.3 | Very high | 82 Ų | 82 | 56.9 Ų | 56.9 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.4 | -34.5 | -177.1 | -168.4 | -178.5 | -57.7 | -174 | -6.1 | 113 | E300 Q301 V303 P304 I305 K310 L311 | E300-R308 PolarHBondContact O-NE 3.22Å; E300-R308 PolarHBondContact O-NH2 2.99Å; Q301-R308 PolarHBondContact O-NH2 2.88Å; Q301-R308 VanDerWaalsContact O-NH2 3.16Å; V303-R308 PolarHBondContact O-NE 3.2Å; V303-R308 PolarHBondContact O-NH2 3.24Å; P304-R308 PolarHBondContact O-N 2.92Å; I305-R308 PolarHBondContact O-N 3.28Å; R308-K310 PolarHBondContact O-N 2.82Å; R308-L311 WeakPolarHBondContact O-CB 3.47Å; R308-L311 PolarHBondContact O-N 3.33Å |
| 309 | C | 91.2 | Very high | 95.3 | Very high | 106 Ų | 106 | 61.3 Ų | 61.3 | 72% | 0.716 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -12.7 | 177.8 | 64.1 | 0 | 0 | 0 | 0 | 114.7 | D306 K307 | D306-C309 PolarHBondContact O-SG 3.49Å; K307-C309 PolarHBondContact O-N 3.46Å |
| 310 | K | 93 | Very high | 95.2 | Very high | 154 Ų | 154 | 62.2 Ų | 62.2 | 67% | 0.67 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -2 | 176.7 | -58.2 | 177.6 | -178.1 | 175 | 0 | 112.9 | K307 R308 T336 | K307-K310 WeakPolarHBondContact O-CB 3.34Å; K307-K310 PolarHBondContact O-N 2.82Å; R308-K310 PolarHBondContact O-N 2.82Å; K310-T336 HydrophobicContact CB-CG2 4.07Å |
| 311 | L | 95.4 | Very high | 95 | Very high | 21 Ų | 21 | 65.5 Ų | 65.5 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -106 | 150.4 | -175.7 | -55.4 | -172.8 | 0 | 0 | 0 | 110.2 | V303 R308 S313 N333 T336 L337 | V303-L311 HydrophobicContact CB-CD1 4.12Å; V303-L311 HydrophobicContact CG1-CD1 3.86Å; V303-L311 HydrophobicContact CG2-CD1 3.96Å; R308-L311 WeakPolarHBondContact O-CB 3.47Å; R308-L311 PolarHBondContact O-N 3.33Å; L311-S313 PolarHBondContact O-N 3.25Å; L311-N333 WeakPolarHBondContact CA-OD1 3.24Å; L311-N333 HydrophobicContact CD2-CB 4.1Å; L311-T336 HydrophobicContact CD2-CG2 3.84Å; L311-L337 HydrophobicContact CD1-CD1 4.17Å; L311-L337 HydrophobicContact CD1-CD2 4.23Å; L311-L337 HydrophobicContact CD1-CG 4.33Å; L311-L337 HydrophobicContact CD2-CD2 4.31Å; L311-L337 HydrophobicContact CD2-CG 4.1Å |
| 312 | M | 96.7 | Very high | 95 | Very high | 61 Ų | 61 | 65.3 Ų | 65.3 | 30% | 0.3 | 36% | 0.362 | S | S | . | . | trans | -64.1 | 130.6 | 162.7 | -61.9 | -178.4 | 72.2 | 0 | 0 | 109 | E316 I317 N329 N333 | M312-E316 WeakPolarHBondContact CA-OE2 3.48Å; M312-E316 HydrophobicContact CB-CB 4.35Å; M312-E316 HydrophobicContact CE-CB 4.05Å; M312-I317 HydrophobicContact CB-CD1 4.38Å; M312-I317 HydrophobicContact CB-CG1 3.89Å; M312-N329 HydrophobicContact CE-CB 4.21Å; M312-N329 HydrophobicContact SD-CB 3.85Å; M312-N333 PolarHBondContact N-OD1 3.01Å; M312-N333 PolarHBondContact O-ND2 2.97Å | ||
| 313 | S | 96.8 | Very high | 95 | Very high | 31 Ų | 31 | 71.3 Ų | 71.3 | 22% | 0.217 | 38% | 0.384 | C | S | . | . | trans | -64 | 161.3 | 172.4 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | L311 S315 E316 I317 | L311-S313 PolarHBondContact O-N 3.25Å; S313-S315 PolarHBondContact O-N 3.3Å; S313-E316 WeakPolarHBondContact CB-OE2 3.11Å; S313-E316 PolarHBondContact N-OE2 3.12Å; S313-E316 PolarHBondContact O-N 3.45Å; S313-E316 VanDerWaalsContact OG-CG 3.28Å; S313-E316 WeakPolarHBondContact OG-CG 3.47Å; S313-E316 PolarHBondContact OG-N 3.46Å; S313-E316 PolarHBondContact OG-OE2 2.86Å; S313-I317 WeakPolarHBondContact O-CG1 3.46Å; S313-I317 PolarHBondContact O-N 3Å | ||
| 314 | A | 97.1 | Very high | 95 | Very high | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.008 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.4 | -36.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A296 E300 E316 I317 L318 | A296-A314 HydrophobicContact CB-CB 3.99Å; E300-A314 WeakPolarHBondContact OE2-CB 3.23Å; E300-A314 PolarHBondContact OE2-N 3.44Å; A314-E316 PolarHBondContact O-N 3.39Å; A314-I317 PolarHBondContact O-N 3.48Å; A314-L318 VanDerWaalsContact O-CB 3.24Å; A314-L318 WeakPolarHBondContact O-CB 3.24Å; A314-L318 WeakPolarHBondContact O-CG 3.36Å; A314-L318 PolarHBondContact O-N 3.38Å |
| 315 | S | 96.7 | Very high | 95.2 | Very high | 94 Ų | 94 | 77.4 Ų | 77.4 | 66% | 0.657 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.7 | -42.1 | 177 | -172.7 | 0 | 0 | 0 | 0 | 112.5 | S313 L318 S319 | S313-S315 PolarHBondContact O-N 3.3Å; S315-L318 PolarHBondContact O-N 3.27Å; S315-S319 PolarHBondContact O-N 3.45Å |
| 316 | E | 97.2 | Very high | 95.5 | Very high | 101 Ų | 101 | 73.3 Ų | 73.3 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 177.8 | -73.6 | 164.1 | 136.4 | 0 | 0 | 111.1 | M312 S313 A314 L318 S319 | M312-E316 WeakPolarHBondContact CA-OE2 3.48Å; M312-E316 HydrophobicContact CB-CB 4.35Å; M312-E316 HydrophobicContact CE-CB 4.05Å; S313-E316 WeakPolarHBondContact CB-OE2 3.11Å; S313-E316 PolarHBondContact N-OE2 3.12Å; S313-E316 PolarHBondContact O-N 3.45Å; S313-E316 VanDerWaalsContact OG-CG 3.28Å; S313-E316 WeakPolarHBondContact OG-CG 3.47Å; S313-E316 PolarHBondContact OG-N 3.46Å; S313-E316 PolarHBondContact OG-OE2 2.86Å; A314-E316 PolarHBondContact O-N 3.39Å; E316-L318 VanDerWaalsContact C-N 3.34Å; E316-L318 PolarHBondContact O-N 2.73Å; E316-S319 WeakPolarHBondContact O-CB 3.33Å; E316-S319 PolarHBondContact O-N 3.3Å; E316-S319 PolarHBondContact O-OG 3.36Å |
| 317 | I | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59 | -47.8 | 176.2 | -64.4 | 174.3 | 0 | 0 | 0 | 110.3 | A296 M312 S313 A314 S319 S320 R326 N329 V330 | A296-I317 HydrophobicContact CB-CB 4.18Å; A296-I317 HydrophobicContact CB-CD1 4.1Å; A296-I317 HydrophobicContact CB-CG2 3.98Å; M312-I317 HydrophobicContact CB-CD1 4.38Å; M312-I317 HydrophobicContact CB-CG1 3.89Å; S313-I317 WeakPolarHBondContact O-CG1 3.46Å; S313-I317 PolarHBondContact O-N 3Å; A314-I317 PolarHBondContact O-N 3.48Å; I317-S319 VanDerWaalsContact C-N 3.26Å; I317-S319 PolarHBondContact O-N 3.38Å; I317-S320 PolarHBondContact O-N 2.82Å; I317-R326 HydrophobicContact CG2-CB 4.22Å; I317-R326 WeakPolarHBondContact O-CG 3.18Å; I317-N329 HydrophobicContact CB-CB 4.42Å; I317-N329 HydrophobicContact CG1-CB 3.96Å; I317-N329 HydrophobicContact CG2-CB 4.18Å; I317-V330 HydrophobicContact CD1-CG2 4.18Å; I317-V330 HydrophobicContact CG2-CG2 4.1Å |
| 318 | L | 97 | Very high | 95.9 | Very high | 42 Ų | 42 | 67.8 Ų | 67.8 | 22% | 0.22 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -75.7 | -12.2 | -174.1 | -66.2 | 175.7 | 0 | 0 | 0 | 114.1 | V293 A296 A314 S315 E316 S320 R326 | V293-L318 HydrophobicContact CB-CD2 4.4Å; V293-L318 HydrophobicContact CG2-CD2 3.78Å; A296-L318 HydrophobicContact CB-CD2 4.42Å; A296-L318 HydrophobicContact CB-CG 4.26Å; A314-L318 VanDerWaalsContact O-CB 3.24Å; A314-L318 WeakPolarHBondContact O-CB 3.24Å; A314-L318 WeakPolarHBondContact O-CG 3.36Å; A314-L318 PolarHBondContact O-N 3.38Å; S315-L318 PolarHBondContact O-N 3.27Å; E316-L318 VanDerWaalsContact C-N 3.34Å; E316-L318 PolarHBondContact O-N 2.73Å; L318-S320 VanDerWaalsContact C-N 3.26Å; L318-S320 PolarHBondContact O-N 3.49Å; L318-R326 PolarHBondContact O-NH2 2.95Å; L318-R326 VanDerWaalsContact O-NH2 3.12Å |
| 319 | S | 96.8 | Very high | 96.1 | Very high | 92 Ų | 92 | 65.2 Ų | 65.2 | 64% | 0.643 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.8 | -29.8 | 173.5 | 75.9 | 0 | 0 | 0 | 0 | 112.8 | S315 E316 I317 T321 | S315-S319 PolarHBondContact O-N 3.45Å; E316-S319 WeakPolarHBondContact O-CB 3.33Å; E316-S319 PolarHBondContact O-N 3.3Å; E316-S319 PolarHBondContact O-OG 3.36Å; I317-S319 VanDerWaalsContact C-N 3.26Å; I317-S319 PolarHBondContact O-N 3.38Å; S319-T321 PolarHBondContact O-N 3.24Å |
| 320 | S | 95.9 | Very high | 96.4 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | trans | -63 | 134.1 | 171 | -81.5 | 0 | 0 | 0 | 0 | 110.5 | I317 L318 E325 R326 | I317-S320 PolarHBondContact O-N 2.82Å; L318-S320 VanDerWaalsContact C-N 3.26Å; L318-S320 PolarHBondContact O-N 3.49Å; S320-E325 WeakPolarHBondContact CB-OE2 3.48Å; S320-E325 PolarHBondContact OG-OE2 3.1Å; S320-R326 VanDerWaalsContact O-CZ 3.26Å; S320-R326 PolarHBondContact O-NE 3.44Å; S320-R326 PolarHBondContact O-NH2 2.95Å | ||
| 321 | T | 92.3 | Very high | 96.6 | Very high | 133 Ų | 133 | 53.7 Ų | 53.7 | 82% | 0.816 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -81.2 | -31.1 | 177.5 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | S319 | S319-T321 PolarHBondContact O-N 3.24Š|
| 322 | S | 95.9 | Very high | 96.6 | Very high | 43 Ų | 43 | 56.3 Ų | 56.3 | 30% | 0.301 | 30% | 0.302 | S | S | . | . | trans | -79 | 130.1 | -180 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | Q324 E325 R326 | S322-Q324 PolarHBondContact O-N 2.99Å; S322-Q324 PolarHBondContact OG-N 2.92Å; S322-E325 PolarHBondContact O-N 3.18Å; S322-R326 WeakPolarHBondContact O-CG 3.29Å; S322-R326 PolarHBondContact O-N 2.97Å; S322-R326 VanDerWaalsContact O-N 3.08Å | ||
| 323 | R | 95.4 | Very high | 96.6 | Very high | 135 Ų | 135 | 53.6 Ų | 53.6 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61 | -33.5 | 172.6 | -64 | -174.1 | -165.9 | 167.3 | 3.3 | 112.1 | R326 A327 | R323-R326 PolarHBondContact O-N 2.95Å; R323-A327 WeakPolarHBondContact O-CB 3.16Å; R323-A327 PolarHBondContact O-N 2.85Å |
| 324 | Q | 96.4 | Very high | 96.5 | Very high | 88 Ų | 88 | 52.3 Ų | 52.3 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 177.9 | 179.9 | 178.6 | 0.8 | 0 | 0 | 111.2 | S322 A327 M328 Y349 | S322-Q324 PolarHBondContact O-N 2.99Å; S322-Q324 PolarHBondContact OG-N 2.92Å; Q324-A327 PolarHBondContact O-N 3.46Å; Q324-M328 HydrophobicContact CG-CE 3.83Å; Q324-M328 WeakPolarHBondContact O-CG 3.27Å; Q324-M328 PolarHBondContact O-N 3.02Å; Q324-Y349 HydrophobicContact CB-CD1 4.01Å; Q324-Y349 HydrophobicContact CB-CE1 4.13Å; Q324-Y349 HydrophobicContact CB-CG 4.34Å; Q324-Y349 HydrophobicContact CG-CD1 4.09Å; Q324-Y349 HydrophobicContact CG-CE1 3.78Å |
| 325 | E | 97 | Very high | 96.3 | Very high | 93 Ų | 93 | 59.4 Ų | 59.4 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 175.9 | -70.5 | 177.4 | -172.2 | 0 | 0 | 111.6 | S320 S322 A327 M328 N329 | S320-E325 WeakPolarHBondContact CB-OE2 3.48Å; S320-E325 PolarHBondContact OG-OE2 3.1Å; S322-E325 PolarHBondContact O-N 3.18Å; E325-A327 VanDerWaalsContact C-N 3.32Å; E325-A327 PolarHBondContact O-N 2.78Å; E325-M328 WeakPolarHBondContact O-CB 3.26Å; E325-M328 PolarHBondContact O-N 2.67Å; E325-N329 VanDerWaalsContact O-CG 3.24Å; E325-N329 PolarHBondContact O-N 3.44Å; E325-N329 PolarHBondContact O-ND2 3.39Å |
| 326 | R | 97.8 | Very high | 96.2 | Very high | 51 Ų | 51 | 58.8 Ų | 58.8 | 19% | 0.192 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 175.1 | -65.6 | 178.6 | -179.9 | 178.2 | -0.1 | 111.8 | D291 I317 L318 S320 S322 R323 N329 V330 | D291-R326 WeakPolarHBondContact O-CD 3.44Å; I317-R326 HydrophobicContact CG2-CB 4.22Å; I317-R326 WeakPolarHBondContact O-CG 3.18Å; L318-R326 PolarHBondContact O-NH2 2.95Å; L318-R326 VanDerWaalsContact O-NH2 3.12Å; S320-R326 VanDerWaalsContact O-CZ 3.26Å; S320-R326 PolarHBondContact O-NE 3.44Å; S320-R326 PolarHBondContact O-NH2 2.95Å; S322-R326 WeakPolarHBondContact O-CG 3.29Å; S322-R326 PolarHBondContact O-N 2.97Å; S322-R326 VanDerWaalsContact O-N 3.08Å; R323-R326 PolarHBondContact O-N 2.95Å; R326-N329 PolarHBondContact O-N 3.32Å; R326-V330 WeakPolarHBondContact O-CG2 3.39Å; R326-V330 PolarHBondContact O-N 3.3Å |
| 327 | A | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S292 R323 Q324 E325 N329 V330 L331 P345 I348 Y349 | S292-A327 WeakPolarHBondContact OG-CA 3.29Å; S292-A327 PolarHBondContact OG-N 3.43Å; R323-A327 WeakPolarHBondContact O-CB 3.16Å; R323-A327 PolarHBondContact O-N 2.85Å; Q324-A327 PolarHBondContact O-N 3.46Å; E325-A327 VanDerWaalsContact C-N 3.32Å; E325-A327 PolarHBondContact O-N 2.78Å; A327-N329 PolarHBondContact O-N 2.75Å; A327-V330 PolarHBondContact O-N 3.13Å; A327-L331 VanDerWaalsContact O-CG 3.24Å; A327-L331 WeakPolarHBondContact O-CG 3.26Å; A327-L331 PolarHBondContact O-N 3.26Å; A327-P345 HydrophobicContact CB-CB 4.22Å; A327-I348 HydrophobicContact CB-CB 3.96Å; A327-I348 HydrophobicContact CB-CD1 4.28Å; A327-I348 HydrophobicContact CB-CG2 4.19Å; A327-Y349 HydrophobicContact CB-CD1 4.24Å |
| 328 | M | 97.3 | Very high | 95.8 | Very high | 77 Ų | 77 | 56.9 Ų | 56.9 | 38% | 0.379 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 174 | -70.8 | 173.3 | 179.6 | 0 | 0 | 112 | Q324 E325 V330 L331 N332 P345 | Q324-M328 HydrophobicContact CG-CE 3.83Å; Q324-M328 WeakPolarHBondContact O-CG 3.27Å; Q324-M328 PolarHBondContact O-N 3.02Å; E325-M328 WeakPolarHBondContact O-CB 3.26Å; E325-M328 PolarHBondContact O-N 2.67Å; M328-V330 PolarHBondContact O-N 3.49Å; M328-L331 CarbonylContact O-C 3.55Å; M328-L331 PolarHBondContact O-N 2.97Å; M328-L331 VanDerWaalsContact O-N 3.09Å; M328-N332 VanDerWaalsContact O-CG 3.25Å; M328-N332 PolarHBondContact O-N 2.84Å; M328-N332 PolarHBondContact O-ND2 2.71Å; M328-N332 PolarHBondContact O-OD1 3.14Å; M328-P345 HydrophobicContact CE-CG 4.31Å; M328-P345 HydrophobicContact CG-CB 4.01Å; M328-P345 HydrophobicContact CG-CG 3.71Å |
| 329 | N | 97.5 | Very high | 95.5 | Very high | 27 Ų | 27 | 54.9 Ų | 54.9 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 179.6 | -65.8 | -22.6 | 0 | 0 | 0 | 112.3 | M312 I317 E325 R326 A327 L331 N332 N333 | M312-N329 HydrophobicContact CE-CB 4.21Å; M312-N329 HydrophobicContact SD-CB 3.85Å; I317-N329 HydrophobicContact CB-CB 4.42Å; I317-N329 HydrophobicContact CG1-CB 3.96Å; I317-N329 HydrophobicContact CG2-CB 4.18Å; E325-N329 VanDerWaalsContact O-CG 3.24Å; E325-N329 PolarHBondContact O-N 3.44Å; E325-N329 PolarHBondContact O-ND2 3.39Å; R326-N329 PolarHBondContact O-N 3.32Å; A327-N329 PolarHBondContact O-N 2.75Å; N329-L331 VanDerWaalsContact C-N 3.28Å; N329-L331 PolarHBondContact O-N 2.87Å; N329-N332 PolarHBondContact O-N 3.16Å; N329-N333 PolarHBondContact O-N 3.11Å; N329-N333 VanDerWaalsContact O-N 3.16Å |
| 330 | V | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 170.5 | 165.1 | 0 | 0 | 0 | 0 | 111 | Y295 M299 I317 R326 A327 M328 N333 N334 I348 | Y295-V330 HydrophobicContact CD2-CG1 4.42Å; Y295-V330 HydrophobicContact CG-CG1 4.04Å; M299-V330 HydrophobicContact SD-CG1 3.92Å; I317-V330 HydrophobicContact CD1-CG2 4.18Å; I317-V330 HydrophobicContact CG2-CG2 4.1Å; R326-V330 WeakPolarHBondContact O-CG2 3.39Å; R326-V330 PolarHBondContact O-N 3.3Å; A327-V330 PolarHBondContact O-N 3.13Å; M328-V330 PolarHBondContact O-N 3.49Å; V330-N333 WeakPolarHBondContact O-CB 3.33Å; V330-N333 PolarHBondContact O-N 3.39Å; V330-N334 PolarHBondContact O-N 2.84Å; V330-I348 HydrophobicContact CG1-CD1 4.18Å |
| 331 | L | 96.5 | Very high | 94.9 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 10% | 0.099 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.8 | -27.5 | -179.1 | -63.8 | 172.9 | 0 | 0 | 0 | 113.5 | A327 M328 N329 N334 E335 L343 A344 P345 I348 | A327-L331 VanDerWaalsContact O-CG 3.24Å; A327-L331 WeakPolarHBondContact O-CG 3.26Å; A327-L331 PolarHBondContact O-N 3.26Å; M328-L331 CarbonylContact O-C 3.55Å; M328-L331 PolarHBondContact O-N 2.97Å; M328-L331 VanDerWaalsContact O-N 3.09Å; N329-L331 VanDerWaalsContact C-N 3.28Å; N329-L331 PolarHBondContact O-N 2.87Å; L331-N334 VanDerWaalsContact O-CB 3.29Å; L331-N334 WeakPolarHBondContact O-CB 3.36Å; L331-N334 PolarHBondContact O-N 3.4Å; L331-E335 PolarHBondContact O-N 3.26Å; L331-L343 WeakPolarHBondContact CD1-O 3.2Å; L331-L343 HydrophobicContact CD2-CB 3.87Å; L331-A344 VanDerWaalsContact CD1-C 3.48Å; L331-P345 HydrophobicContact CD1-CB 4.3Å; L331-P345 HydrophobicContact CD1-CG 3.87Å; L331-P345 VanDerWaalsContact CD1-N 3.32Å; L331-I348 HydrophobicContact CD1-CD1 4.46Å; L331-I348 HydrophobicContact CD2-CD1 4.19Å; L331-I348 HydrophobicContact CG-CD1 4.23Å |
| 332 | N | 96 | Very high | 94.7 | Very high | 75 Ų | 75 | 46.7 Ų | 46.7 | 40% | 0.401 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65 | -42.7 | 170 | -67.4 | -19.6 | 0 | 0 | 0 | 111.2 | M328 N329 N334 E335 T336 | M328-N332 VanDerWaalsContact O-CG 3.25Å; M328-N332 PolarHBondContact O-N 2.84Å; M328-N332 PolarHBondContact O-ND2 2.71Å; M328-N332 PolarHBondContact O-OD1 3.14Å; N329-N332 PolarHBondContact O-N 3.16Å; N332-N334 VanDerWaalsContact C-N 3.26Å; N332-N334 PolarHBondContact O-N 2.66Å; N332-E335 PolarHBondContact O-N 2.83Å; N332-T336 PolarHBondContact O-N 3.38Å; N332-T336 VanDerWaalsContact O-N 3.08Å; N332-T336 PolarHBondContact O-OG1 2.93Å |
| 333 | N | 96.5 | Very high | 94.6 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.6 | -42 | 170.7 | -80.9 | -1.3 | 0 | 0 | 0 | 110.9 | M299 L311 M312 N329 V330 T336 L337 | M299-N333 HydrophobicContact CE-CB 3.66Å; M299-N333 HydrophobicContact SD-CB 4.4Å; L311-N333 WeakPolarHBondContact CA-OD1 3.24Å; L311-N333 HydrophobicContact CD2-CB 4.1Å; M312-N333 PolarHBondContact N-OD1 3.01Å; M312-N333 PolarHBondContact O-ND2 2.97Å; N329-N333 PolarHBondContact O-N 3.11Å; N329-N333 VanDerWaalsContact O-N 3.16Å; V330-N333 WeakPolarHBondContact O-CB 3.33Å; V330-N333 PolarHBondContact O-N 3.39Å; N333-T336 WeakPolarHBondContact O-CB 3.4Å; N333-T336 PolarHBondContact O-N 3.45Å; N333-L337 WeakPolarHBondContact O-CG 2.99Å; N333-L337 PolarHBondContact O-N 2.98Å; N333-L337 VanDerWaalsContact O-N 3.08Å |
| 334 | N | 94.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 179 | -175.9 | 55.5 | 0 | 0 | 0 | 113.2 | M299 V330 L331 N332 T336 L337 G338 T339 F366 | M299-N334 HydrophobicContact CE-CB 4.27Å; V330-N334 PolarHBondContact O-N 2.84Å; L331-N334 VanDerWaalsContact O-CB 3.29Å; L331-N334 WeakPolarHBondContact O-CB 3.36Å; L331-N334 PolarHBondContact O-N 3.4Å; N332-N334 VanDerWaalsContact C-N 3.26Å; N332-N334 PolarHBondContact O-N 2.66Å; N334-T336 VanDerWaalsContact C-N 3.33Å; N334-L337 PolarHBondContact O-N 2.91Å; N334-G338 PolarHBondContact O-N 3Å; N334-T339 PolarHBondContact ND2-OG1 2.87Å; N334-T339 VanDerWaalsContact ND2-OG1 3.14Å; N334-T339 VanDerWaalsContact OD1-CB 3.31Å; N334-T339 WeakPolarHBondContact OD1-CB 3.36Å; N334-T339 WeakPolarHBondContact OD1-CG2 3.43Å; N334-T339 PolarHBondContact OD1-OG1 2.85Å; N334-F366 HydrophobicContact CB-CE2 4.38Å; N334-F366 HydrophobicContact CB-CZ 4.05Å; N334-F366 VanDerWaalsContact CG-CE2 3.45Å; N334-F366 WeakPolarHBondContact OD1-CE2 3.19Å; N334-F366 WeakPolarHBondContact OD1-CZ 3.35Å |
| 335 | E | 93.8 | Very high | 94.3 | Very high | 150 Ų | 150 | 36.7 Ų | 36.7 | 70% | 0.701 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -61.3 | -43.6 | 175.7 | -175.8 | 172.2 | -162.8 | 0 | 0 | 111 | L331 N332 L337 G338 | L331-E335 PolarHBondContact O-N 3.26Å; N332-E335 PolarHBondContact O-N 2.83Å; E335-L337 PolarHBondContact O-N 3.45Å; E335-G338 PolarHBondContact O-N 3.03Å |
| 336 | T | 94.7 | Very high | 94.1 | Very high | 81 Ų | 81 | 34.7 Ų | 34.7 | 50% | 0.497 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.6 | -33.7 | 176.3 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | K310 L311 N332 N333 N334 | K310-T336 HydrophobicContact CB-CG2 4.07Å; L311-T336 HydrophobicContact CD2-CG2 3.84Å; N332-T336 PolarHBondContact O-N 3.38Å; N332-T336 VanDerWaalsContact O-N 3.08Å; N332-T336 PolarHBondContact O-OG1 2.93Å; N333-T336 WeakPolarHBondContact O-CB 3.4Å; N333-T336 PolarHBondContact O-N 3.45Å; N334-T336 VanDerWaalsContact C-N 3.33Å |
| 337 | L | 93.9 | Very high | 93.9 | Very high | 21 Ų | 21 | 32.3 Ų | 32.3 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -80 | -17 | 175.6 | -67.8 | 171.1 | 0 | 0 | 0 | 113.8 | M299 V303 L311 N333 N334 E335 T339 Y374 | M299-L337 HydrophobicContact CE-CD1 3.57Å; V303-L337 HydrophobicContact CG1-CD2 3.95Å; V303-L337 HydrophobicContact CG2-CD1 3.74Å; V303-L337 HydrophobicContact CG2-CD2 4.1Å; L311-L337 HydrophobicContact CD1-CD1 4.17Å; L311-L337 HydrophobicContact CD1-CD2 4.23Å; L311-L337 HydrophobicContact CD1-CG 4.33Å; L311-L337 HydrophobicContact CD2-CD2 4.31Å; L311-L337 HydrophobicContact CD2-CG 4.1Å; N333-L337 WeakPolarHBondContact O-CG 2.99Å; N333-L337 PolarHBondContact O-N 2.98Å; N333-L337 VanDerWaalsContact O-N 3.08Å; N334-L337 PolarHBondContact O-N 2.91Å; E335-L337 PolarHBondContact O-N 3.45Å; L337-T339 HydrophobicContact CB-CG2 4Å; L337-Y374 HydrophobicContact CD1-CE2 4.36Å; L337-Y374 HydrophobicContact CD2-CE2 4.13Å |
| 338 | G | 92.4 | Very high | 93.8 | Very high | 40 Ų | 40 | 32.3 Ų | 32.3 | 41% | 0.412 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 28.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K123 N334 E335 | K123-G338 PolarHBondContact NZ-O 3.32Å; N334-G338 PolarHBondContact O-N 3Å; E335-G338 PolarHBondContact O-N 3.03Å |
| 339 | T | 91.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -62.8 | 142.3 | -171.6 | 69.4 | 0 | 0 | 0 | 0 | 113.7 | K123 N334 L337 F341 L370 M373 | K123-T339 WeakPolarHBondContact CE-O 3.37Å; K123-T339 PolarHBondContact NZ-O 2.63Å; N334-T339 PolarHBondContact ND2-OG1 2.87Å; N334-T339 VanDerWaalsContact ND2-OG1 3.14Å; N334-T339 VanDerWaalsContact OD1-CB 3.31Å; N334-T339 WeakPolarHBondContact OD1-CB 3.36Å; N334-T339 WeakPolarHBondContact OD1-CG2 3.43Å; N334-T339 PolarHBondContact OD1-OG1 2.85Å; L337-T339 HydrophobicContact CB-CG2 4Å; T339-F341 VanDerWaalsContact C-N 3.29Å; T339-F341 PolarHBondContact O-N 2.81Å; T339-F341 PolarHBondContact OG1-O 3.35Å; T339-F341 VanDerWaalsContact OG1-O 3.13Å; T339-L370 HydrophobicContact CG2-CD2 4.21Å; T339-M373 HydrophobicContact CG2-CE 4.24Å; T339-M373 HydrophobicContact CG2-SD 3.71Å | ||
| 340 | P | 88.7 | Confident | 93.4 | Very high | 38 Ų | 38 | 31.1 Ų | 31.1 | 25% | 0.247 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -61.8 | -27.5 | -177.5 | -27 | 33.8 | 0 | 0 | 0 | 116.1 | T369 M373 | P340-T369 HydrophobicContact CG-CG2 4.44Å; P340-M373 VanDerWaalsContact CD-SD 3.53Å |
| 341 | F | 91.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -113.9 | 125.3 | -178.9 | -159.3 | -75 | 0 | 0 | 0 | 109.1 | F117 W120 I227 L231 T339 L343 L362 A365 F366 T369 | F117-F341 HydrophobicContact CD1-CZ 4.32Å; W120-F341 HydrophobicContact CB-CD2 3.86Å; W120-F341 HydrophobicContact CB-CE2 3.93Å; W120-F341 AromaticContact CD1-CD2 3.23Å; W120-F341 AromaticContact CD1-CG 3.91Å; W120-F341 HydrophobicContact CD2-CD2 4.42Å; W120-F341 AromaticContact CG-CD2 3.56Å; W120-F341 HydrophobicContact CG-CD2 3.56Å; W120-F341 AromaticContact CG-CE2 3.92Å; W120-F341 HydrophobicContact CG-CE2 3.92Å; W120-F341 HydrophobicContact CG-CG 4.45Å; W120-F341 AromaticContact NE1-CD2 3.87Å; I227-F341 HydrophobicContact CG2-CE2 4.12Å; L231-F341 HydrophobicContact CD1-CD2 3.99Å; T339-F341 VanDerWaalsContact C-N 3.29Å; T339-F341 PolarHBondContact O-N 2.81Å; T339-F341 PolarHBondContact OG1-O 3.35Å; T339-F341 VanDerWaalsContact OG1-O 3.13Å; F341-L343 HydrophobicContact CE1-CD2 4.08Å; F341-L362 HydrophobicContact CE1-CD2 4.21Å; F341-L362 HydrophobicContact CZ-CD2 3.96Å; F341-A365 HydrophobicContact CD1-CB 4.24Å; F341-A365 HydrophobicContact CD2-CB 3.91Å; F341-A365 HydrophobicContact CE1-CB 3.94Å; F341-A365 HydrophobicContact CE2-CB 3.61Å; F341-A365 HydrophobicContact CG-CB 4.25Å; F341-A365 HydrophobicContact CZ-CB 3.63Å; F341-F366 HydrophobicContact CD1-CB 4.4Å; F341-F366 WeakPolarHBondContact O-CD2 3.33Å; F341-T369 HydrophobicContact CB-CG2 4.13Å; F341-T369 WeakPolarHBondContact CB-OG1 3.28Å |
| 342 | T | 87.7 | Confident | 92.4 | Very high | 34 Ų | 34 | 32.3 Ų | 32.3 | 21% | 0.209 | 19% | 0.192 | C | C | . | . | trans | -123.1 | 134.8 | -176 | 56.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 343 | L | 93.2 | Very high | 91.7 | Very high | 12 Ų | 12 | 32.8 Ų | 32.8 | 6% | 0.063 | 19% | 0.192 | C | C | . | . | trans | -91.9 | 156.9 | 171.4 | -61.4 | 178.1 | 0 | 0 | 0 | 110.4 | L331 F341 D347 I348 L362 F366 | L331-L343 WeakPolarHBondContact CD1-O 3.2Å; L331-L343 HydrophobicContact CD2-CB 3.87Å; F341-L343 HydrophobicContact CE1-CD2 4.08Å; L343-D347 HydrophobicContact CB-CB 4.06Å; L343-D347 HydrophobicContact CD2-CB 3.99Å; L343-D347 HydrophobicContact CG-CB 4.47Å; L343-I348 HydrophobicContact CD1-CD1 4.15Å; L343-I348 HydrophobicContact CD1-CG1 3.8Å; L343-L362 HydrophobicContact CD2-CB 3.64Å; L343-F366 HydrophobicContact CD1-CB 3.7Å; L343-F366 HydrophobicContact CD1-CD1 3.51Å; L343-F366 HydrophobicContact CD1-CD2 4.46Å; L343-F366 HydrophobicContact CD1-CE1 4.28Å; L343-F366 HydrophobicContact CD1-CG 3.63Å; L343-F366 HydrophobicContact CD2-CB 4.14Å; L343-F366 HydrophobicContact CG-CB 3.83Å; L343-F366 HydrophobicContact CG-CD1 4.16Å; L343-F366 HydrophobicContact CG-CD2 4.24Å; L343-F366 HydrophobicContact CG-CG 3.82Å | ||
| 344 | A | 92.8 | Very high | 90.2 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 13% | 0.132 | 23% | 0.23 | C | C | . | . | trans | -85.1 | 155.9 | 158 | 0 | 0 | 0 | 0 | 0 | 109.9 | R115 L331 E346 D347 | R115-A344 VanDerWaalsContact CZ-CB 3.48Å; R115-A344 VanDerWaalsContact NH2-CB 3.35Å; L331-A344 VanDerWaalsContact CD1-C 3.48Å; A344-E346 HydrophobicContact CB-CG 4.17Å; A344-E346 PolarHBondContact O-N 2.95Å; A344-E346 VanDerWaalsContact O-N 3.16Å; A344-D347 WeakPolarHBondContact CB-OD2 3.34Å; A344-D347 PolarHBondContact N-OD2 2.86Å; A344-D347 VanDerWaalsContact O-CB 3.3Å; A344-D347 WeakPolarHBondContact O-CB 3.38Å; A344-D347 PolarHBondContact O-N 3.03Å | ||
| 345 | P | 94 | Very high | 88.6 | Confident | 28 Ų | 28 | 45.1 Ų | 45.1 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -51.8 | -42.2 | 179.9 | -27.9 | 34.9 | 0 | 0 | 0 | 113.1 | A327 M328 L331 D347 I348 Y349 | A327-P345 HydrophobicContact CB-CB 4.22Å; M328-P345 HydrophobicContact CE-CG 4.31Å; M328-P345 HydrophobicContact CG-CB 4.01Å; M328-P345 HydrophobicContact CG-CG 3.71Å; L331-P345 HydrophobicContact CD1-CB 4.3Å; L331-P345 HydrophobicContact CD1-CG 3.87Å; L331-P345 VanDerWaalsContact CD1-N 3.32Å; P345-D347 PolarHBondContact O-N 2.65Å; P345-I348 WeakPolarHBondContact O-CB 3.2Å; P345-I348 PolarHBondContact O-N 3.07Å; P345-Y349 HydrophobicContact CB-CD1 4.13Å; P345-Y349 HydrophobicContact CB-CE1 3.91Å; P345-Y349 WeakPolarHBondContact O-CD1 3.38Å; P345-Y349 PolarHBondContact O-N 3Å |
| 346 | E | 93.1 | Very high | 87.1 | Confident | 51 Ų | 51 | 39 Ų | 39 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.4 | -20.4 | 178.5 | 59.7 | -95.5 | -144.1 | 0 | 0 | 114.1 | R115 A344 I348 Y349 L350 R359 | R115-E346 IonicContact CZ-OE1 3.25Å; R115-E346 IonicContact NH1-OE1 2.64Å; R115-E346 PolarHBondContact NH1-OE1 2.96Å; R115-E346 IonicContact NH2-OE1 3.21Å; R115-E346 PolarHBondContact NH2-OE1 3.45Å; A344-E346 HydrophobicContact CB-CG 4.17Å; A344-E346 PolarHBondContact O-N 2.95Å; A344-E346 VanDerWaalsContact O-N 3.16Å; E346-I348 PolarHBondContact O-N 3.23Å; E346-Y349 HydrophobicContact CB-CE1 3.76Å; E346-L350 HydrophobicContact CB-CD1 3.82Å; E346-L350 HydrophobicContact CB-CG 4.2Å; E346-L350 WeakPolarHBondContact O-CB 3.38Å; E346-L350 PolarHBondContact O-N 3.33Å; E346-R359 VanDerWaalsContact C-NH1 3.29Å; E346-R359 WeakPolarHBondContact O-CD 3.36Å; E346-R359 VanDerWaalsContact O-CZ 3.3Å; E346-R359 PolarHBondContact O-NE 3.48Å; E346-R359 PolarHBondContact O-NH1 2.73Å; E346-R359 VanDerWaalsContact O-NH1 3.1Å |
| 347 | D | 93.3 | Very high | 85.3 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.4 | -20.6 | 171.4 | -54.6 | -33.5 | 0 | 0 | 0 | 111.9 | R115 L343 A344 P345 R359 L362 N363 | R115-D347 IonicContact CZ-OD1 3.39Å; R115-D347 IonicContact NH2-OD1 3.5Å; R115-D347 PolarHBondContact NH2-OD1 3.25Å; R115-D347 IonicContact NH2-OD2 2.69Å; R115-D347 PolarHBondContact NH2-OD2 3.28Å; L343-D347 HydrophobicContact CB-CB 4.06Å; L343-D347 HydrophobicContact CD2-CB 3.99Å; L343-D347 HydrophobicContact CG-CB 4.47Å; A344-D347 WeakPolarHBondContact CB-OD2 3.34Å; A344-D347 PolarHBondContact N-OD2 2.86Å; A344-D347 VanDerWaalsContact O-CB 3.3Å; A344-D347 WeakPolarHBondContact O-CB 3.38Å; A344-D347 PolarHBondContact O-N 3.03Å; P345-D347 PolarHBondContact O-N 2.65Å; D347-R359 IonicContact OD1-CZ 2.65Å; D347-R359 IonicContact OD1-NH1 2.96Å; D347-R359 PolarHBondContact OD1-NH1 2.83Å; D347-L362 HydrophobicContact CB-CD1 4.15Å; D347-N363 PolarHBondContact O-ND2 2.78Å |
| 348 | I | 95.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -97.8 | -64 | 175 | -55.7 | 175.7 | 0 | 0 | 0 | 110 | L289 A290 Y295 A327 V330 L331 L343 P345 E346 L350 A351 | L289-I348 WeakPolarHBondContact O-CG2 3.4Å; A290-I348 VanDerWaalsContact CA-O 3.31Å; A290-I348 WeakPolarHBondContact CA-O 3.42Å; Y295-I348 HydrophobicContact CD2-CD1 4.07Å; Y295-I348 HydrophobicContact CD2-CG1 4.47Å; Y295-I348 HydrophobicContact CD2-CG2 4.13Å; Y295-I348 HydrophobicContact CE2-CD1 4.02Å; Y295-I348 HydrophobicContact CE2-CG1 4.02Å; Y295-I348 HydrophobicContact CE2-CG2 4.11Å; A327-I348 HydrophobicContact CB-CB 3.96Å; A327-I348 HydrophobicContact CB-CD1 4.28Å; A327-I348 HydrophobicContact CB-CG2 4.19Å; V330-I348 HydrophobicContact CG1-CD1 4.18Å; L331-I348 HydrophobicContact CD1-CD1 4.46Å; L331-I348 HydrophobicContact CD2-CD1 4.19Å; L331-I348 HydrophobicContact CG-CD1 4.23Å; L343-I348 HydrophobicContact CD1-CD1 4.15Å; L343-I348 HydrophobicContact CD1-CG1 3.8Å; P345-I348 WeakPolarHBondContact O-CB 3.2Å; P345-I348 PolarHBondContact O-N 3.07Å; E346-I348 PolarHBondContact O-N 3.23Å; I348-L350 VanDerWaalsContact C-N 3.28Å; I348-L350 PolarHBondContact O-N 2.76Å; I348-A351 WeakPolarHBondContact O-CB 3.44Å; I348-A351 PolarHBondContact O-N 3.42Å |
| 349 | Y | 94.2 | Very high | 83.9 | Confident | 48 Ų | 48 | 40.2 Ų | 40.2 | 19% | 0.188 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.2 | -20 | -165.3 | 72.2 | -101.5 | 0 | 0 | 0 | 115 | A290 Q324 A327 P345 E346 | A290-Y349 WeakPolarHBondContact O-CA 3.38Å; Q324-Y349 HydrophobicContact CB-CD1 4.01Å; Q324-Y349 HydrophobicContact CB-CE1 4.13Å; Q324-Y349 HydrophobicContact CB-CG 4.34Å; Q324-Y349 HydrophobicContact CG-CD1 4.09Å; Q324-Y349 HydrophobicContact CG-CE1 3.78Å; A327-Y349 HydrophobicContact CB-CD1 4.24Å; P345-Y349 HydrophobicContact CB-CD1 4.13Å; P345-Y349 HydrophobicContact CB-CE1 3.91Å; P345-Y349 WeakPolarHBondContact O-CD1 3.38Å; P345-Y349 PolarHBondContact O-N 3Å; E346-Y349 HydrophobicContact CB-CE1 3.76Å |
| 350 | L | 92.4 | Very high | 83.8 | Confident | 32 Ų | 32 | 43.2 Ų | 43.2 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 3.6 | 172.4 | -57 | 179 | 0 | 0 | 0 | 112.9 | E346 I348 G352 E353 | E346-L350 HydrophobicContact CB-CD1 3.82Å; E346-L350 HydrophobicContact CB-CG 4.2Å; E346-L350 WeakPolarHBondContact O-CB 3.38Å; E346-L350 PolarHBondContact O-N 3.33Å; I348-L350 VanDerWaalsContact C-N 3.28Å; I348-L350 PolarHBondContact O-N 2.76Å; L350-G352 PolarHBondContact O-N 3.33Å; L350-E353 VanDerWaalsContact CD2-OE2 3.3Å; L350-E353 WeakPolarHBondContact CD2-OE2 3.36Å; L350-E353 WeakPolarHBondContact O-CB 3.18Å; L350-E353 PolarHBondContact O-N 3.18Å |
| 351 | A | 89.6 | Confident | 84 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 130.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | N286 A290 I348 E353 | N286-A351 WeakPolarHBondContact O-CB 3.38Å; N286-A351 VanDerWaalsContact OD1-CA 3.28Å; N286-A351 WeakPolarHBondContact OD1-CA 3.24Å; N286-A351 VanDerWaalsContact OD1-CB 3.32Å; N286-A351 WeakPolarHBondContact OD1-CB 3.33Å; A290-A351 HydrophobicContact CB-CB 4.05Å; A290-A351 WeakPolarHBondContact CB-O 3.44Å; I348-A351 WeakPolarHBondContact O-CB 3.44Å; I348-A351 PolarHBondContact O-N 3.42Å; A351-E353 VanDerWaalsContact C-N 3.32Å; A351-E353 PolarHBondContact O-N 3.25Å |
| 352 | G | 81.3 | Confident | 84.2 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 0.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | N286 L350 | N286-G352 PolarHBondContact OD1-N 2.81Å; L350-G352 PolarHBondContact O-N 3.33Å |
| 353 | E | 82 | Confident | 84.6 | Confident | 85 Ų | 85 | 43.6 Ų | 43.6 | 40% | 0.397 | 22% | 0.223 | S | C | . | . | trans | -73.9 | 130 | 173.2 | -67.9 | -166.7 | 179.8 | 0 | 0 | 111.6 | L350 A351 N355 N356 | L350-E353 VanDerWaalsContact CD2-OE2 3.3Å; L350-E353 WeakPolarHBondContact CD2-OE2 3.36Å; L350-E353 WeakPolarHBondContact O-CB 3.18Å; L350-E353 PolarHBondContact O-N 3.18Å; A351-E353 VanDerWaalsContact C-N 3.32Å; A351-E353 PolarHBondContact O-N 3.25Å; E353-N355 PolarHBondContact O-N 2.95Å; E353-N356 PolarHBondContact O-N 3.01Å | ||
| 354 | K | 64.8 | Low | 84.7 | Confident | 190 Ų | 190 | 43.6 Ų | 43.6 | 83% | 0.826 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 128 | 176.4 | -65.3 | -177.1 | 179.7 | -179.7 | 0 | 108.9 | ||
| 355 | N | 61.6 | Low | 84.9 | Confident | 78 Ų | 78 | 42.9 Ų | 42.9 | 42% | 0.417 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | -8.5 | -174.9 | -55 | -35.5 | 0 | 0 | 0 | 116.3 | H89 E353 | H89-N355 PolarHBondContact O-ND2 3.07Å; E353-N355 PolarHBondContact O-N 2.95Å |
| 356 | N | 62.5 | Low | 85 | Confident | 22 Ų | 22 | 41.5 Ų | 41.5 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | trans | -111 | 33.2 | 178.3 | -67.5 | -23.4 | 0 | 0 | 0 | 112.3 | D92 E353 N358 | D92-N356 PolarHBondContact OD2-OD1 3.15Å; E353-N356 PolarHBondContact O-N 3.01Å; N356-N358 PolarHBondContact O-N 3.38Å | ||
| 357 | D | 56.4 | Low | 85.2 | Confident | 105 Ų | 105 | 39.1 Ų | 39.1 | 56% | 0.561 | 20% | 0.197 | S | C | * | . | trans | -67.1 | 20.1 | -160.8 | -69.9 | -25.7 | 0 | 0 | 0 | 117.4 | ||||
| 358 | N | 68.7 | Low | 85.4 | Confident | 55 Ų | 55 | 39 Ų | 39 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | trans | -136.4 | 45.4 | -177.4 | -64 | -57.3 | 0 | 0 | 0 | 113.2 | E113 N356 | E113-N358 HydrophobicContact CG-CB 4.45Å; N356-N358 PolarHBondContact O-N 3.38Å | ||
| 359 | R | 87.8 | Confident | 85.5 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | trans | -108.9 | -8.1 | 174.2 | -65 | 176 | -174 | -76.2 | -3.2 | 113 | D92 E346 D347 R361 L362 N363 | D92-R359 IonicContact OD2-CZ 3.35Å; D92-R359 IonicContact OD2-NH2 3.25Å; D92-R359 PolarHBondContact OD2-NH2 2.96Å; E346-R359 VanDerWaalsContact C-NH1 3.29Å; E346-R359 WeakPolarHBondContact O-CD 3.36Å; E346-R359 VanDerWaalsContact O-CZ 3.3Å; E346-R359 PolarHBondContact O-NE 3.48Å; E346-R359 PolarHBondContact O-NH1 2.73Å; E346-R359 VanDerWaalsContact O-NH1 3.1Å; D347-R359 IonicContact OD1-CZ 2.65Å; D347-R359 IonicContact OD1-NH1 2.96Å; D347-R359 PolarHBondContact OD1-NH1 2.83Å; R359-R361 PolarHBondContact O-N 3.44Å; R359-L362 PolarHBondContact O-N 2.99Å; R359-N363 PolarHBondContact O-N 3.24Å; R359-N363 PolarHBondContact O-ND2 2.87Å | ||
| 360 | D | 90.1 | Very high | 85.6 | Confident | 63 Ų | 63 | 37 Ų | 37 | 34% | 0.337 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.1 | -45.6 | 176.3 | 64.8 | -37.2 | 0 | 0 | 0 | 112 | F285 N286 L362 N363 L364 | F285-D360 WeakPolarHBondContact O-CA 3.24Å; N286-D360 HydrophobicContact CB-CB 4.34Å; D360-L362 PolarHBondContact O-N 3.49Å; D360-N363 PolarHBondContact O-N 2.96Å; D360-L364 WeakPolarHBondContact O-CB 3.42Å; D360-L364 PolarHBondContact O-N 3.13Å |
| 361 | R | 92.4 | Very high | 85.9 | Confident | 80 Ų | 80 | 35.4 Ų | 35.4 | 30% | 0.302 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.8 | -38.4 | 179.1 | -71.8 | 172.9 | 169.9 | 179.1 | 0.8 | 113.1 | E113 W224 R359 A365 | E113-R361 WeakPolarHBondContact OE1-CD 3.27Å; E113-R361 IonicContact OE1-CZ 2.7Å; E113-R361 IonicContact OE1-NE 3.19Å; E113-R361 IonicContact OE1-NH1 3.95Å; E113-R361 PolarHBondContact OE1-NH1 3.12Å; W224-R361 HydrophobicContact CD2-CB 4.3Å; W224-R361 HydrophobicContact CD2-CG 4.17Å; W224-R361 HydrophobicContact CE3-CB 4.08Å; W224-R361 HydrophobicContact CE3-CG 4.44Å; W224-R361 HydrophobicContact CH2-CB 3.59Å; W224-R361 HydrophobicContact CH2-CG 3.81Å; W224-R361 HydrophobicContact CZ2-CB 3.85Å; W224-R361 HydrophobicContact CZ2-CG 3.5Å; W224-R361 VanDerWaalsContact CZ2-CG 3.5Å; W224-R361 HydrophobicContact CZ3-CB 3.72Å; W224-R361 HydrophobicContact CZ3-CG 4.28Å; R359-R361 PolarHBondContact O-N 3.44Å; R361-A365 VanDerWaalsContact O-CB 3.31Å; R361-A365 WeakPolarHBondContact O-CB 3.17Å; R361-A365 PolarHBondContact O-N 3.43Å |
| 362 | L | 94.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.5 | -50.8 | 176.9 | -66 | 177.7 | 0 | 0 | 0 | 110.2 | A112 F117 F341 L343 D347 R359 D360 L364 A365 F366 | A112-L362 HydrophobicContact CB-CD1 3.89Å; F117-L362 HydrophobicContact CD1-CD2 4.22Å; F117-L362 HydrophobicContact CE1-CD2 3.9Å; F341-L362 HydrophobicContact CE1-CD2 4.21Å; F341-L362 HydrophobicContact CZ-CD2 3.96Å; L343-L362 HydrophobicContact CD2-CB 3.64Å; D347-L362 HydrophobicContact CB-CD1 4.15Å; R359-L362 PolarHBondContact O-N 2.99Å; D360-L362 PolarHBondContact O-N 3.49Å; L362-L364 PolarHBondContact O-N 2.88Å; L362-A365 PolarHBondContact O-N 3.05Å; L362-F366 WeakPolarHBondContact O-CB 3.29Å; L362-F366 PolarHBondContact O-N 2.71Å |
| 363 | N | 95.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -40.5 | 177.3 | -79.1 | -76.8 | 0 | 0 | 0 | 112.2 | F285 L289 Y295 D347 R359 D360 F366 L367 | F285-N363 WeakPolarHBondContact O-CB 3.27Å; L289-N363 HydrophobicContact CD1-CB 3.61Å; Y295-N363 PolarHBondContact OH-OD1 3.43Å; D347-N363 PolarHBondContact O-ND2 2.78Å; R359-N363 PolarHBondContact O-N 3.24Å; R359-N363 PolarHBondContact O-ND2 2.87Å; D360-N363 PolarHBondContact O-N 2.96Å; N363-F366 PolarHBondContact O-N 2.89Å; N363-L367 WeakPolarHBondContact O-CG 3.26Å; N363-L367 PolarHBondContact O-N 3.4Å |
| 364 | L | 95.7 | Very high | 87.4 | Confident | 12 Ų | 12 | 35.9 Ų | 35.9 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.7 | -49.4 | 173.6 | 174.4 | 60.9 | 0 | 0 | 0 | 111.5 | W224 I232 E262 L265 F285 D360 L362 F366 L367 A368 | W224-L364 HydrophobicContact CH2-CD2 4.26Å; W224-L364 HydrophobicContact CZ2-CD2 4.39Å; I232-L364 HydrophobicContact CD1-CD2 4.29Å; I232-L364 HydrophobicContact CD1-CG 4.06Å; I232-L364 HydrophobicContact CG1-CD1 4.48Å; I232-L364 HydrophobicContact CG1-CG 4.13Å; E262-L364 HydrophobicContact CG-CD1 4.04Å; E262-L364 HydrophobicContact CG-CD2 3.89Å; L265-L364 HydrophobicContact CD2-CD1 3.66Å; F285-L364 HydrophobicContact CB-CB 4.3Å; F285-L364 HydrophobicContact CD1-CB 4.46Å; F285-L364 HydrophobicContact CD1-CD1 4.06Å; F285-L364 HydrophobicContact CD2-CD1 4.07Å; F285-L364 HydrophobicContact CE1-CD1 3.89Å; F285-L364 HydrophobicContact CE2-CD1 3.93Å; F285-L364 HydrophobicContact CG-CB 4.21Å; F285-L364 HydrophobicContact CG-CD1 4.13Å; F285-L364 HydrophobicContact CZ-CD1 3.82Å; D360-L364 WeakPolarHBondContact O-CB 3.42Å; D360-L364 PolarHBondContact O-N 3.13Å; L362-L364 PolarHBondContact O-N 2.88Å; L364-F366 VanDerWaalsContact C-N 3.29Å; L364-F366 PolarHBondContact O-N 2.92Å; L364-L367 PolarHBondContact O-N 3Å; L364-A368 WeakPolarHBondContact O-CB 3.38Å; L364-A368 PolarHBondContact O-N 3.37Å |
| 365 | A | 96.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64 | -35.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | W224 I227 L231 I232 F341 R361 L362 T369 | W224-A365 HydrophobicContact CZ3-CB 4.28Å; I227-A365 HydrophobicContact CG2-CB 4.48Å; L231-A365 HydrophobicContact CD1-CB 4.48Å; I232-A365 HydrophobicContact CD1-CB 4.44Å; F341-A365 HydrophobicContact CD1-CB 4.24Å; F341-A365 HydrophobicContact CD2-CB 3.91Å; F341-A365 HydrophobicContact CE1-CB 3.94Å; F341-A365 HydrophobicContact CE2-CB 3.61Å; F341-A365 HydrophobicContact CG-CB 4.25Å; F341-A365 HydrophobicContact CZ-CB 3.63Å; R361-A365 VanDerWaalsContact O-CB 3.31Å; R361-A365 WeakPolarHBondContact O-CB 3.17Å; R361-A365 PolarHBondContact O-N 3.43Å; L362-A365 PolarHBondContact O-N 3.05Å; A365-T369 WeakPolarHBondContact O-CB 3.16Å; A365-T369 PolarHBondContact O-N 3.02Å; A365-T369 PolarHBondContact O-OG1 3.16Å |
| 366 | F | 97 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.3 | -48.4 | 176.2 | -173.7 | -122 | 0 | 0 | 0 | 112.1 | Y295 N334 F341 L343 L362 N363 L364 A368 T369 L370 | Y295-F366 HydrophobicContact CD1-CD1 4.16Å; Y295-F366 AromaticContact CD1-CE1 3.92Å; Y295-F366 HydrophobicContact CD1-CE1 3.92Å; Y295-F366 AromaticContact CE1-CD1 3.39Å; Y295-F366 HydrophobicContact CE1-CD1 3.39Å; Y295-F366 AromaticContact CE1-CE1 3.64Å; Y295-F366 HydrophobicContact CE1-CE1 3.64Å; Y295-F366 AromaticContact CZ-CD1 3.67Å; N334-F366 HydrophobicContact CB-CE2 4.38Å; N334-F366 HydrophobicContact CB-CZ 4.05Å; N334-F366 VanDerWaalsContact CG-CE2 3.45Å; N334-F366 WeakPolarHBondContact OD1-CE2 3.19Å; N334-F366 WeakPolarHBondContact OD1-CZ 3.35Å; F341-F366 HydrophobicContact CD1-CB 4.4Å; F341-F366 WeakPolarHBondContact O-CD2 3.33Å; L343-F366 HydrophobicContact CD1-CB 3.7Å; L343-F366 HydrophobicContact CD1-CD1 3.51Å; L343-F366 HydrophobicContact CD1-CD2 4.46Å; L343-F366 HydrophobicContact CD1-CE1 4.28Å; L343-F366 HydrophobicContact CD1-CG 3.63Å; L343-F366 HydrophobicContact CD2-CB 4.14Å; L343-F366 HydrophobicContact CG-CB 3.83Å; L343-F366 HydrophobicContact CG-CD1 4.16Å; L343-F366 HydrophobicContact CG-CD2 4.24Å; L343-F366 HydrophobicContact CG-CG 3.82Å; L362-F366 WeakPolarHBondContact O-CB 3.29Å; L362-F366 PolarHBondContact O-N 2.71Å; N363-F366 PolarHBondContact O-N 2.89Å; L364-F366 VanDerWaalsContact C-N 3.29Å; L364-F366 PolarHBondContact O-N 2.92Å; F366-A368 VanDerWaalsContact C-N 3.34Å; F366-A368 PolarHBondContact O-N 2.95Å; F366-T369 WeakPolarHBondContact O-CB 3.38Å; F366-T369 PolarHBondContact O-N 3.48Å; F366-T369 VanDerWaalsContact O-N 3.11Å; F366-L370 HydrophobicContact CD1-CD1 4.38Å; F366-L370 HydrophobicContact CE1-CD1 3.97Å; F366-L370 HydrophobicContact CZ-CD1 4.22Å; F366-L370 HydrophobicContact CZ-CD2 4.33Å; F366-L370 HydrophobicContact CZ-CG 4.37Å; F366-L370 PolarHBondContact O-N 3.36Å |
| 367 | L | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 174.7 | -73.4 | 168.5 | 0 | 0 | 0 | 112.2 | L265 V269 F285 L289 Y295 L298 N363 L364 T369 L370 F371 | L265-L367 HydrophobicContact CD2-CB 3.93Å; L265-L367 HydrophobicContact CG-CB 4.41Å; V269-L367 HydrophobicContact CG2-CD1 4.31Å; V269-L367 HydrophobicContact CG2-CD2 3.96Å; F285-L367 HydrophobicContact CD1-CD1 3.64Å; F285-L367 HydrophobicContact CE1-CD1 3.92Å; L289-L367 HydrophobicContact CD1-CD1 3.88Å; L289-L367 HydrophobicContact CD2-CD1 4.32Å; Y295-L367 HydrophobicContact CD1-CD2 4.16Å; Y295-L367 HydrophobicContact CE1-CD2 3.55Å; Y295-L367 HydrophobicContact CE1-CG 3.89Å; L298-L367 HydrophobicContact CD2-CD2 3.44Å; L298-L367 VanDerWaalsContact CD2-CD2 3.44Å; N363-L367 WeakPolarHBondContact O-CG 3.26Å; N363-L367 PolarHBondContact O-N 3.4Å; L364-L367 PolarHBondContact O-N 3Å; L367-T369 VanDerWaalsContact C-N 3.27Å; L367-T369 PolarHBondContact O-N 3.32Å; L367-L370 HydrophobicContact CD2-CD1 4.47Å; L367-L370 PolarHBondContact O-N 3.25Å; L367-F371 PolarHBondContact O-N 2.91Å |
| 368 | A | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.7 | -37.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I232 I235 L265 L364 F366 F371 N372 | I232-A368 HydrophobicContact CG1-CB 3.63Å; I235-A368 HydrophobicContact CD1-CB 3.88Å; L265-A368 HydrophobicContact CD2-CB 4.08Å; L364-A368 WeakPolarHBondContact O-CB 3.38Å; L364-A368 PolarHBondContact O-N 3.37Å; F366-A368 VanDerWaalsContact C-N 3.34Å; F366-A368 PolarHBondContact O-N 2.95Å; A368-F371 PolarHBondContact O-N 3.19Å; A368-N372 WeakPolarHBondContact O-CB 3.5Å; A368-N372 PolarHBondContact O-N 3.07Å; A368-N372 PolarHBondContact O-ND2 2.92Å; A368-N372 VanDerWaalsContact O-ND2 3.1Å |
| 369 | T | 96.7 | Very high | 92.8 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 174.5 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | P340 F341 A365 F366 L367 N372 M373 | P340-T369 HydrophobicContact CG-CG2 4.44Å; F341-T369 HydrophobicContact CB-CG2 4.13Å; F341-T369 WeakPolarHBondContact CB-OG1 3.28Å; A365-T369 WeakPolarHBondContact O-CB 3.16Å; A365-T369 PolarHBondContact O-N 3.02Å; A365-T369 PolarHBondContact O-OG1 3.16Å; F366-T369 WeakPolarHBondContact O-CB 3.38Å; F366-T369 PolarHBondContact O-N 3.48Å; F366-T369 VanDerWaalsContact O-N 3.11Å; L367-T369 VanDerWaalsContact C-N 3.27Å; L367-T369 PolarHBondContact O-N 3.32Å; T369-N372 PolarHBondContact O-N 3.06Å; T369-M373 HydrophobicContact CG2-SD 4.32Å; T369-M373 WeakPolarHBondContact O-CG 3.37Å; T369-M373 PolarHBondContact O-N 3.25Å; T369-M373 VanDerWaalsContact O-N 3.13Å |
| 370 | L | 97.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 175.1 | -66.7 | 178.3 | 0 | 0 | 0 | 111.5 | W268 Y295 L298 M299 I302 T339 F366 L367 M373 Y374 | W268-L370 HydrophobicContact CH2-CB 4.03Å; Y295-L370 HydrophobicContact CD1-CD1 4.45Å; L298-L370 HydrophobicContact CD2-CD1 4.38Å; M299-L370 HydrophobicContact CG-CD1 4.2Å; I302-L370 HydrophobicContact CD1-CB 4.06Å; T339-L370 HydrophobicContact CG2-CD2 4.21Å; F366-L370 HydrophobicContact CD1-CD1 4.38Å; F366-L370 HydrophobicContact CE1-CD1 3.97Å; F366-L370 HydrophobicContact CZ-CD1 4.22Å; F366-L370 HydrophobicContact CZ-CD2 4.33Å; F366-L370 HydrophobicContact CZ-CG 4.37Å; F366-L370 PolarHBondContact O-N 3.36Å; L367-L370 HydrophobicContact CD2-CD1 4.47Å; L367-L370 PolarHBondContact O-N 3.25Å; L370-M373 PolarHBondContact O-N 2.69Å; L370-Y374 PolarHBondContact O-N 2.96Å |
| 371 | F | 97.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.3 | -51.5 | 174.6 | 171.1 | -95.1 | 0 | 0 | 0 | 111.7 | I235 H240 L243 L265 W268 L367 A368 M373 Y374 P375 | I235-F371 HydrophobicContact CB-CD1 4.45Å; I235-F371 HydrophobicContact CB-CE1 4.18Å; I235-F371 HydrophobicContact CD1-CD1 3.61Å; I235-F371 HydrophobicContact CD1-CE1 4.21Å; I235-F371 HydrophobicContact CD1-CG 4.24Å; I235-F371 HydrophobicContact CG1-CD1 3.66Å; I235-F371 HydrophobicContact CG1-CE1 3.77Å; I235-F371 HydrophobicContact CG2-CD1 4.06Å; I235-F371 HydrophobicContact CG2-CE1 3.68Å; I235-F371 HydrophobicContact CG2-CZ 4.01Å; H240-F371 HydrophobicContact CB-CZ 4.02Å; H240-F371 AromaticContact CD2-CE1 3.79Å; H240-F371 AromaticContact CE1-CE1 3.68Å; H240-F371 AromaticContact CG-CE1 3.77Å; H240-F371 AromaticContact CG-CZ 3.73Å; H240-F371 AromaticContact ND1-CE1 3.71Å; H240-F371 AromaticContact ND1-CZ 3.77Å; H240-F371 AromaticContact NE2-CE1 3.75Å; L243-F371 HydrophobicContact CD1-CZ 4.41Å; L243-F371 HydrophobicContact CD2-CE2 3.57Å; L243-F371 HydrophobicContact CD2-CZ 3.65Å; L243-F371 HydrophobicContact CG-CE2 4.47Å; L243-F371 HydrophobicContact CG-CZ 4.12Å; L265-F371 HydrophobicContact CD1-CB 3.63Å; L265-F371 HydrophobicContact CD1-CG 4.13Å; W268-F371 HydrophobicContact CB-CD2 4.5Å; W268-F371 AromaticContact CD1-CD2 3.68Å; W268-F371 AromaticContact CD1-CE2 3.99Å; W268-F371 HydrophobicContact CD2-CB 4.24Å; W268-F371 AromaticContact CD2-CD2 3.75Å; W268-F371 HydrophobicContact CD2-CD2 3.75Å; W268-F371 HydrophobicContact CD2-CG 4.46Å; W268-F371 AromaticContact CE2-CD2 3.72Å; W268-F371 HydrophobicContact CE3-CB 4.14Å; W268-F371 HydrophobicContact CE3-CD2 4.42Å; W268-F371 AromaticContact CG-CD2 3.74Å; W268-F371 HydrophobicContact CG-CD2 3.74Å; W268-F371 HydrophobicContact CG-CE2 4.29Å; W268-F371 HydrophobicContact CH2-CB 4Å; W268-F371 HydrophobicContact CZ2-CB 4.08Å; W268-F371 HydrophobicContact CZ2-CD2 4.35Å; W268-F371 HydrophobicContact CZ3-CB 4.02Å; W268-F371 AromaticContact NE1-CD2 3.64Å; L367-F371 PolarHBondContact O-N 2.91Å; A368-F371 PolarHBondContact O-N 3.19Å; F371-M373 PolarHBondContact O-N 2.89Å; F371-M373 VanDerWaalsContact O-N 3.15Å; F371-Y374 CarbonylContact O-C 3.45Å; F371-Y374 PolarHBondContact O-N 3.5Å; F371-P375 HydrophobicContact CD2-CB 4.42Å; F371-P375 HydrophobicContact CE2-CB 4.07Å; F371-P375 WeakPolarHBondContact O-CD 3.43Å; F371-P375 VanDerWaalsContact O-CG 3.26Å; F371-P375 WeakPolarHBondContact O-CG 3.41Å; F371-P375 VanDerWaalsContact O-N 3.14Å |
| 372 | N | 95.2 | Very high | 88.2 | Confident | 53 Ų | 53 | 42.4 Ų | 42.4 | 28% | 0.283 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.2 | -24.7 | -177.9 | -72.2 | -31.2 | 0 | 0 | 0 | 113.2 | L231 A368 T369 | L231-N372 PolarHBondContact O-ND2 2.61Å; A368-N372 WeakPolarHBondContact O-CB 3.5Å; A368-N372 PolarHBondContact O-N 3.07Å; A368-N372 PolarHBondContact O-ND2 2.92Å; A368-N372 VanDerWaalsContact O-ND2 3.1Å; T369-N372 PolarHBondContact O-N 3.06Å |
| 373 | M | 94.7 | Very high | 86.4 | Confident | 62 Ų | 62 | 50.2 Ų | 50.2 | 31% | 0.305 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -90 | -40.4 | 175.7 | -70.7 | -177.1 | 65.7 | 0 | 0 | 113.1 | T339 P340 T369 L370 F371 | T339-M373 HydrophobicContact CG2-CE 4.24Å; T339-M373 HydrophobicContact CG2-SD 3.71Å; P340-M373 VanDerWaalsContact CD-SD 3.53Å; T369-M373 HydrophobicContact CG2-SD 4.32Å; T369-M373 WeakPolarHBondContact O-CG 3.37Å; T369-M373 PolarHBondContact O-N 3.25Å; T369-M373 VanDerWaalsContact O-N 3.13Å; L370-M373 PolarHBondContact O-N 2.69Å; F371-M373 PolarHBondContact O-N 2.89Å; F371-M373 VanDerWaalsContact O-N 3.15Å |
| 374 | Y | 95.5 | Very high | 85.1 | Confident | 22 Ų | 22 | 54 Ų | 54 | 9% | 0.086 | 27% | 0.272 | C | S | . | . | trans | -140.1 | 73.8 | -171.1 | -54.1 | -58.3 | 0 | 0 | 0 | 111.2 | V303 P304 K307 L337 L370 F371 G376 | V303-Y374 HydrophobicContact CG2-CD2 4.21Å; V303-Y374 HydrophobicContact CG2-CE2 4.42Å; P304-Y374 HydrophobicContact CG-CD1 4.14Å; P304-Y374 HydrophobicContact CG-CE1 4.29Å; K307-Y374 PolarHBondContact NZ-OH 2.95Å; K307-Y374 VanDerWaalsContact NZ-OH 3.16Å; L337-Y374 HydrophobicContact CD1-CE2 4.36Å; L337-Y374 HydrophobicContact CD2-CE2 4.13Å; L370-Y374 PolarHBondContact O-N 2.96Å; F371-Y374 CarbonylContact O-C 3.45Å; F371-Y374 PolarHBondContact O-N 3.5Å; Y374-G376 VanDerWaalsContact C-N 3.29Å; Y374-G376 PolarHBondContact O-N 3.33Å | ||
| 375 | P | 95.3 | Very high | 83.7 | Confident | 29 Ų | 29 | 60.7 Ų | 60.7 | 19% | 0.188 | 31% | 0.306 | C | S | . | . | trans | -59.2 | -39.2 | 177.4 | -23.5 | 32.1 | 0 | 0 | 0 | 112.6 | E242 W268 H272 F371 L377 | E242-P375 HydrophobicContact CG-CB 4.19Å; W268-P375 PolarHBondContact NE1-O 2.64Å; H272-P375 PolarHBondContact NE2-O 3.06Å; F371-P375 HydrophobicContact CD2-CB 4.42Å; F371-P375 HydrophobicContact CE2-CB 4.07Å; F371-P375 WeakPolarHBondContact O-CD 3.43Å; F371-P375 VanDerWaalsContact O-CG 3.26Å; F371-P375 WeakPolarHBondContact O-CG 3.41Å; F371-P375 VanDerWaalsContact O-N 3.14Å; P375-L377 PolarHBondContact O-N 3.32Å | ||
| 376 | G | 93.1 | Very high | 82.5 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | trans | 63.3 | 19.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H272 R275 Y374 | H272-G376 PolarHBondContact CE1-O 2.85Å; R275-G376 PolarHBondContact NH1-O 2.81Å; Y374-G376 VanDerWaalsContact C-N 3.29Å; Y374-G376 PolarHBondContact O-N 3.33Å | ||
| 377 | L | 92.2 | Very high | 81.4 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 11% | 0.105 | 34% | 0.344 | C | S | . | . | trans | -92.7 | 128 | -177.6 | -62.4 | -179.7 | 0 | 0 | 0 | 110.9 | E242 L243 A245 L246 Y271 P375 A379 | E242-L377 HydrophobicContact CB-CB 4.08Å; E242-L377 HydrophobicContact CG-CB 4.2Å; E242-L377 HydrophobicContact CG-CD1 4.15Å; E242-L377 VanDerWaalsContact O-CD1 3.29Å; E242-L377 WeakPolarHBondContact O-CD1 3.3Å; L243-L377 HydrophobicContact CD2-CD1 4.07Å; A245-L377 HydrophobicContact CB-CB 4.12Å; A245-L377 HydrophobicContact CB-CD2 4.34Å; L246-L377 HydrophobicContact CD1-CD1 4.49Å; L246-L377 HydrophobicContact CD2-CD1 4.25Å; L246-L377 HydrophobicContact CD2-CD2 3.85Å; L246-L377 HydrophobicContact CG-CD1 4.15Å; Y271-L377 HydrophobicContact CD1-CD2 3.51Å; Y271-L377 HydrophobicContact CE1-CD2 3.35Å; Y271-L377 HydrophobicContact CG-CD2 4.36Å; P375-L377 PolarHBondContact O-N 3.32Å; L377-A379 PolarHBondContact O-N 3.34Å | ||
| 378 | D | 77.1 | Confident | 80.5 | Confident | 83 Ų | 83 | 70 Ų | 70 | 44% | 0.444 | 36% | 0.36 | S | S | . | . | trans | -84.2 | 87.6 | 173.5 | -62.7 | -51.6 | 0 | 0 | 0 | 108.2 | R275 R380 | R275-D378 IonicContact CZ-OD2 2.75Å; R275-D378 IonicContact NH1-OD2 3.78Å; R275-D378 PolarHBondContact NH1-OD2 3.31Å; R275-D378 IonicContact NH2-OD2 3.57Å; R275-D378 PolarHBondContact NH2-OD2 3.19Å; D378-R380 PolarHBondContact O-N 3.05Å | ||
| 379 | A | 69.1 | Low | 80 | Confident | 49 Ų | 49 | 73.2 Ų | 73.2 | 41% | 0.405 | 38% | 0.375 | S | S | . | . | trans | -63.9 | 109.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | E242 L377 | E242-A379 HydrophobicContact CB-CB 4.31Å; L377-A379 PolarHBondContact O-N 3.34Å | ||
| 380 | R | 58.3 | Low | 79.8 | Confident | 221 Ų | 221 | 76 Ų | 76 | 83% | 0.834 | 39% | 0.392 | S | S | * | . | trans | -110.2 | 22.3 | 179.6 | -70.4 | -172.6 | 177.5 | -172.5 | -0.3 | 113.2 | D378 | D378-R380 PolarHBondContact O-N 3.05Š| ||
| 381 | R | 58.9 | Low | 79.5 | Confident | 145 Ų | 145 | 77.8 Ų | 77.8 | 55% | 0.547 | 40% | 0.402 | S | S | . | . | trans | -140.6 | 82.3 | -175.2 | -63.6 | -175.6 | -175.7 | 172.5 | 2.3 | 109.7 | D383 | R381-D383 PolarHBondContact O-N 3.46Š| ||
| 382 | D | 56.8 | Low | 79.3 | Confident | 157 Ų | 157 | 80.1 Ų | 80.1 | 84% | 0.84 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -10.5 | -179.8 | -76.6 | -26.8 | 0 | 0 | 0 | 113.5 | F384 | D382-F384 PolarHBondContact O-N 3.38Š|
| 383 | D | 57.9 | Low | 79.3 | Confident | 164 Ų | 164 | 78.5 Ų | 78.5 | 88% | 0.877 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 3.2 | -171 | -60.5 | -24.2 | 0 | 0 | 0 | 114.6 | R381 | R381-D383 PolarHBondContact O-N 3.46Š|
| 384 | F | 68.4 | Low | 79.2 | Confident | 80 Ų | 80 | 79.2 Ų | 79.2 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | trans | -98.5 | 109.3 | -177.1 | -167 | -109.9 | 0 | 0 | 0 | 113.2 | I244 A253 D382 V386 | I244-F384 HydrophobicContact CD1-CD1 4.14Å; A253-F384 HydrophobicContact CB-CD1 3.78Å; A253-F384 HydrophobicContact CB-CD2 3.88Å; A253-F384 HydrophobicContact CB-CE1 3.28Å; A253-F384 HydrophobicContact CB-CE2 3.42Å; A253-F384 VanDerWaalsContact CB-CE2 3.42Å; A253-F384 HydrophobicContact CB-CG 4.08Å; A253-F384 HydrophobicContact CB-CZ 3.12Å; D382-F384 PolarHBondContact O-N 3.38Å; F384-V386 HydrophobicContact CD1-CG2 3.53Å; F384-V386 HydrophobicContact CE1-CB 4.05Å; F384-V386 HydrophobicContact CE1-CG2 3.32Å; F384-V386 HydrophobicContact CZ-CG2 4.49Å | ||
| 385 | L | 66.4 | Low | 79.2 | Confident | 151 Ų | 151 | 78.2 Ų | 78.2 | 79% | 0.791 | 40% | 0.398 | S | S | * | . | trans | -86.8 | 105.9 | 166.3 | -104.5 | 121.5 | 0 | 0 | 0 | 109.7 | E387 | L385-E387 PolarHBondContact O-N 2.92Š| ||
| 386 | V | 69.4 | Low | 79.3 | Confident | 22 Ų | 22 | 76.8 Ų | 76.8 | 13% | 0.133 | 39% | 0.39 | C | S | . | . | trans | -77.7 | 115.9 | 164.7 | -168 | 0 | 0 | 0 | 0 | 107 | L237 F384 G388 | L237-V386 HydrophobicContact CB-CG1 4.08Å; L237-V386 HydrophobicContact CB-CG2 3.97Å; L237-V386 HydrophobicContact CD2-CG2 4.18Å; F384-V386 HydrophobicContact CD1-CG2 3.53Å; F384-V386 HydrophobicContact CE1-CB 4.05Å; F384-V386 HydrophobicContact CE1-CG2 3.32Å; F384-V386 HydrophobicContact CZ-CG2 4.49Å; V386-G388 PolarHBondContact O-N 3.21Å | ||
| 387 | E | 74.6 | Confident | 79.5 | Confident | 142 Ų | 142 | 76.5 Ų | 76.5 | 66% | 0.664 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 125.1 | 167.4 | -74.5 | -175.1 | 165.8 | 0 | 0 | 109.2 | L385 R483 | L385-E387 PolarHBondContact O-N 2.92Å; E387-R483 IonicContact OE2-CZ 3.45Å; E387-R483 IonicContact OE2-NH1 2.73Å; E387-R483 PolarHBondContact OE2-NH1 2.89Å; E387-R483 IonicContact OE2-NH2 3.84Å |
| 388 | G | 78.4 | Confident | 79.7 | Confident | 32 Ų | 32 | 75.9 Ų | 75.9 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 159.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N238 V386 T390 | N238-G388 WeakPolarHBondContact ND2-CA 3.49Å; N238-G388 WeakPolarHBondContact OD1-CA 3.4Å; V386-G388 PolarHBondContact O-N 3.21Å; G388-T390 PolarHBondContact O-N 3.48Å |
| 389 | E | 87.3 | Confident | 80.7 | Confident | 67 Ų | 67 | 72.1 Ų | 72.1 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 130 | 171.1 | -176.4 | -177.8 | -137.8 | 0 | 0 | 110.5 | E393 R394 R397 | E389-E393 VanDerWaalsContact CA-OE2 3.3Å; E389-E393 WeakPolarHBondContact CA-OE2 3.18Å; E389-E393 HydrophobicContact CG-CB 3.52Å; E389-R394 VanDerWaalsContact CD-CA 3.42Å; E389-R394 HydrophobicContact CG-CB 4.16Å; E389-R394 VanDerWaalsContact OE1-CA 3.28Å; E389-R394 WeakPolarHBondContact OE1-CA 3.38Å; E389-R394 PolarHBondContact OE1-N 3.26Å; E389-R394 WeakPolarHBondContact OE2-CB 3.22Å; E389-R397 VanDerWaalsContact CD-CZ 3.42Å; E389-R397 VanDerWaalsContact CD-NH2 3.35Å; E389-R397 IonicContact OE1-CZ 3.67Å; E389-R397 IonicContact OE1-NE 2.74Å; E389-R397 IonicContact OE1-NH1 3.31Å; E389-R397 PolarHBondContact OE1-NH1 3.44Å; E389-R397 IonicContact OE1-NH2 3.65Å; E389-R397 PolarHBondContact OE1-NH2 2.92Å; E389-R397 IonicContact OE2-CZ 3.52Å; E389-R397 IonicContact OE2-NH1 3.46Å; E389-R397 PolarHBondContact OE2-NH1 2.86Å; E389-R397 IonicContact OE2-NH2 3.76Å; E389-R397 PolarHBondContact OE2-NH2 3.41Å |
| 390 | T | 92 | Very high | 82.1 | Confident | 64 Ų | 64 | 69.8 Ų | 69.8 | 39% | 0.393 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -73 | 162.1 | 176.5 | 69.2 | 0 | 0 | 0 | 0 | 111.7 | G388 E392 E393 R394 | G388-T390 PolarHBondContact O-N 3.48Å; T390-E392 VanDerWaalsContact C-N 3.27Å; T390-E392 PolarHBondContact O-N 3.17Å; T390-E393 PolarHBondContact N-OE2 2.89Å; T390-E393 PolarHBondContact O-N 3.3Å; T390-E393 WeakPolarHBondContact OG1-CB 3.16Å; T390-E393 VanDerWaalsContact OG1-CD 3.25Å; T390-E393 WeakPolarHBondContact OG1-CG 3.45Å; T390-E393 PolarHBondContact OG1-N 3.34Å; T390-R394 WeakPolarHBondContact O-CB 3.45Å; T390-R394 PolarHBondContact O-N 3Å |
| 391 | L | 92.2 | Very high | 83.9 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.6 | -41.5 | 178 | -169.7 | 69.1 | 0 | 0 | 0 | 112 | T395 L594 E596 H597 | L391-T395 PolarHBondContact O-N 3Å; L391-T395 VanDerWaalsContact O-N 3.1Å; L391-T395 PolarHBondContact O-OG1 2.99Å; L391-L594 HydrophobicContact CD1-CB 4.48Å; L391-L594 HydrophobicContact CD1-CD1 3.68Å; L391-E596 HydrophobicContact CD1-CB 4.13Å; L391-E596 HydrophobicContact CD2-CB 3.7Å; L391-H597 WeakPolarHBondContact CD2-CD2 3.37Å; L391-H597 WeakPolarHBondContact CD2-NE2 3.36Å; L391-H597 VanDerWaalsContact CG-NE2 3.31Å; L391-H597 WeakPolarHBondContact CG-NE2 3.46Å |
| 392 | E | 92.3 | Very high | 85.6 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 23% | 0.229 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 177.9 | -63.5 | -166.3 | 167.3 | 0 | 0 | 112.1 | T390 R394 T395 Y396 N602 | T390-E392 VanDerWaalsContact C-N 3.27Å; T390-E392 PolarHBondContact O-N 3.17Å; E392-R394 VanDerWaalsContact C-N 3.32Å; E392-R394 PolarHBondContact O-N 3.43Å; E392-T395 PolarHBondContact O-N 2.95Å; E392-Y396 HydrophobicContact CB-CD2 4.44Å; E392-Y396 HydrophobicContact CB-CE2 3.93Å; E392-Y396 WeakPolarHBondContact O-CD2 3.42Å; E392-Y396 PolarHBondContact O-N 3.34Å; E392-N602 PolarHBondContact OE1-ND2 3.45Å |
| 393 | E | 94.5 | Very high | 87.5 | Confident | 19 Ų | 19 | 46 Ų | 46 | 9% | 0.089 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.1 | -47.1 | 176.6 | -74.8 | 164 | -169.2 | 0 | 0 | 111.2 | E389 T390 T395 Y396 R397 L412 Y413 L487 | E389-E393 VanDerWaalsContact CA-OE2 3.3Å; E389-E393 WeakPolarHBondContact CA-OE2 3.18Å; E389-E393 HydrophobicContact CG-CB 3.52Å; T390-E393 PolarHBondContact N-OE2 2.89Å; T390-E393 PolarHBondContact O-N 3.3Å; T390-E393 WeakPolarHBondContact OG1-CB 3.16Å; T390-E393 VanDerWaalsContact OG1-CD 3.25Å; T390-E393 WeakPolarHBondContact OG1-CG 3.45Å; T390-E393 PolarHBondContact OG1-N 3.34Å; E393-T395 VanDerWaalsContact C-N 3.32Å; E393-T395 PolarHBondContact O-N 2.91Å; E393-Y396 PolarHBondContact O-N 3.34Å; E393-R397 WeakPolarHBondContact O-CB 3.23Å; E393-R397 PolarHBondContact O-N 3.14Å; E393-L412 HydrophobicContact CB-CD2 4.26Å; E393-L412 HydrophobicContact CG-CD2 4.11Å; E393-Y413 VanDerWaalsContact CD-OH 3.3Å; E393-Y413 HydrophobicContact CG-CE2 4.21Å; E393-Y413 WeakPolarHBondContact CG-OH 3.5Å; E393-Y413 WeakPolarHBondContact OE1-CE2 3.43Å; E393-Y413 VanDerWaalsContact OE1-CZ 3.25Å; E393-Y413 PolarHBondContact OE1-OH 2.99Å; E393-L487 HydrophobicContact CG-CD2 3.88Å |
| 394 | R | 93.7 | Very high | 89.1 | Confident | 76 Ų | 76 | 39.4 Ų | 39.4 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -57.2 | -46.1 | 176.8 | 177.6 | 168.5 | 76.7 | 178.9 | 6.7 | 111.5 | E389 T390 E392 N398 E596 | E389-R394 VanDerWaalsContact CD-CA 3.42Å; E389-R394 HydrophobicContact CG-CB 4.16Å; E389-R394 VanDerWaalsContact OE1-CA 3.28Å; E389-R394 WeakPolarHBondContact OE1-CA 3.38Å; E389-R394 PolarHBondContact OE1-N 3.26Å; E389-R394 WeakPolarHBondContact OE2-CB 3.22Å; T390-R394 WeakPolarHBondContact O-CB 3.45Å; T390-R394 PolarHBondContact O-N 3Å; E392-R394 VanDerWaalsContact C-N 3.32Å; E392-R394 PolarHBondContact O-N 3.43Å; R394-N398 WeakPolarHBondContact O-CB 3.3Å; R394-N398 PolarHBondContact O-N 3.3Å; R394-N398 PolarHBondContact O-OD1 3.03Å; R394-E596 IonicContact NH2-OE1 2.73Å; R394-E596 PolarHBondContact NH2-OE1 2.99Å; R394-E596 VanDerWaalsContact NH2-OE1 3.15Å; R394-E596 IonicContact NH2-OE2 3.71Å |
| 395 | T | 96.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.5 | -46 | -178.6 | -75.7 | 0 | 0 | 0 | 0 | 112.2 | L391 E392 E393 N398 W399 F592 H597 M605 | L391-T395 PolarHBondContact O-N 3Å; L391-T395 VanDerWaalsContact O-N 3.1Å; L391-T395 PolarHBondContact O-OG1 2.99Å; E392-T395 PolarHBondContact O-N 2.95Å; E393-T395 VanDerWaalsContact C-N 3.32Å; E393-T395 PolarHBondContact O-N 2.91Å; T395-N398 PolarHBondContact O-N 2.96Å; T395-W399 WeakPolarHBondContact O-CB 3.4Å; T395-W399 PolarHBondContact O-N 2.85Å; T395-F592 HydrophobicContact CG2-CB 3.99Å; T395-H597 PolarHBondContact OG1-CE1 2.97Å; T395-M605 HydrophobicContact CG2-SD 3.69Å |
| 396 | Y | 97.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 177 | -62.5 | -48.9 | 0 | 0 | 0 | 111.9 | E392 E393 N398 W399 I400 L487 C490 F491 M494 M605 | E392-Y396 HydrophobicContact CB-CD2 4.44Å; E392-Y396 HydrophobicContact CB-CE2 3.93Å; E392-Y396 WeakPolarHBondContact O-CD2 3.42Å; E392-Y396 PolarHBondContact O-N 3.34Å; E393-Y396 PolarHBondContact O-N 3.34Å; Y396-N398 VanDerWaalsContact C-N 3.35Å; Y396-N398 PolarHBondContact O-N 2.97Å; Y396-W399 PolarHBondContact O-N 3.2Å; Y396-I400 WeakPolarHBondContact O-CB 3.4Å; Y396-I400 WeakPolarHBondContact O-CG1 3.33Å; Y396-I400 PolarHBondContact O-N 2.8Å; Y396-L487 HydrophobicContact CD2-CD2 3.59Å; Y396-L487 HydrophobicContact CE2-CB 4.39Å; Y396-L487 HydrophobicContact CE2-CD2 3.73Å; Y396-C490 HydrophobicContact CD1-CB 3.89Å; Y396-C490 HydrophobicContact CD2-CB 3.85Å; Y396-C490 HydrophobicContact CE1-CB 4.38Å; Y396-C490 HydrophobicContact CE2-CB 4.35Å; Y396-C490 HydrophobicContact CG-CB 3.62Å; Y396-F491 HydrophobicContact CE1-CB 4.13Å; Y396-F491 WeakPolarHBondContact OH-CB 3.3Å; Y396-M494 HydrophobicContact CD1-SD 4.09Å; Y396-M494 HydrophobicContact CE1-SD 4.05Å; Y396-M605 HydrophobicContact CE1-CE 3.58Å; Y396-M605 WeakPolarHBondContact OH-CE 3.47Å |
| 397 | R | 96.4 | Very high | 92.7 | Very high | 28 Ų | 28 | 37.7 Ų | 37.7 | 11% | 0.106 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.1 | -48.4 | 175.8 | -177.5 | -166.5 | 64.1 | -144.4 | -22.3 | 111.1 | E389 E393 W399 I400 N401 V409 T410 L412 | E389-R397 VanDerWaalsContact CD-CZ 3.42Å; E389-R397 VanDerWaalsContact CD-NH2 3.35Å; E389-R397 IonicContact OE1-CZ 3.67Å; E389-R397 IonicContact OE1-NE 2.74Å; E389-R397 IonicContact OE1-NH1 3.31Å; E389-R397 PolarHBondContact OE1-NH1 3.44Å; E389-R397 IonicContact OE1-NH2 3.65Å; E389-R397 PolarHBondContact OE1-NH2 2.92Å; E389-R397 IonicContact OE2-CZ 3.52Å; E389-R397 IonicContact OE2-NH1 3.46Å; E389-R397 PolarHBondContact OE2-NH1 2.86Å; E389-R397 IonicContact OE2-NH2 3.76Å; E389-R397 PolarHBondContact OE2-NH2 3.41Å; E393-R397 WeakPolarHBondContact O-CB 3.23Å; E393-R397 PolarHBondContact O-N 3.14Å; R397-W399 VanDerWaalsContact C-N 3.34Å; R397-W399 PolarHBondContact O-N 3.02Å; R397-I400 PolarHBondContact O-N 3.11Å; R397-N401 WeakPolarHBondContact O-CB 3.35Å; R397-N401 PolarHBondContact O-N 3.41Å; R397-N401 PolarHBondContact O-ND2 2.78Å; R397-V409 WeakPolarHBondContact CD-O 3.28Å; R397-V409 HydrophobicContact CG-CB 4.23Å; R397-V409 HydrophobicContact CG-CG1 3.92Å; R397-V409 VanDerWaalsContact CG-O 3.27Å; R397-V409 WeakPolarHBondContact CG-O 3.44Å; R397-T410 VanDerWaalsContact CD-O 3.3Å; R397-T410 WeakPolarHBondContact CD-O 3.33Å; R397-L412 HydrophobicContact CB-CD1 4.44Å |
| 398 | N | 96.5 | Very high | 93.5 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.032 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | -179.5 | -68.1 | -1.7 | 0 | 0 | 0 | 111.5 | S198 R229 R394 T395 Y396 S402 F592 | S198-N398 WeakPolarHBondContact O-CB 3.26Å; S198-N398 PolarHBondContact O-ND2 2.88Å; R229-N398 PolarHBondContact NH2-OD1 3.23Å; R394-N398 WeakPolarHBondContact O-CB 3.3Å; R394-N398 PolarHBondContact O-N 3.3Å; R394-N398 PolarHBondContact O-OD1 3.03Å; T395-N398 PolarHBondContact O-N 2.96Å; Y396-N398 VanDerWaalsContact C-N 3.35Å; Y396-N398 PolarHBondContact O-N 2.97Å; N398-S402 WeakPolarHBondContact O-CB 3.34Å; N398-S402 PolarHBondContact O-N 2.89Å; N398-F592 HydrophobicContact CB-CD1 4.44Å |
| 399 | W | 97.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 2% | 0.019 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.2 | -52.8 | 173.9 | 169.1 | 65.2 | 0 | 0 | 0 | 112.1 | T395 Y396 R397 N401 S402 L403 L425 L493 M494 Y497 F592 | T395-W399 WeakPolarHBondContact O-CB 3.4Å; T395-W399 PolarHBondContact O-N 2.85Å; Y396-W399 PolarHBondContact O-N 3.2Å; R397-W399 VanDerWaalsContact C-N 3.34Å; R397-W399 PolarHBondContact O-N 3.02Å; W399-N401 VanDerWaalsContact C-N 3.35Å; W399-N401 PolarHBondContact O-N 3.31Å; W399-S402 WeakPolarHBondContact O-CB 3.38Å; W399-S402 PolarHBondContact O-N 3.18Å; W399-S402 VanDerWaalsContact O-N 3.15Å; W399-S402 PolarHBondContact O-OG 3.43Å; W399-L403 HydrophobicContact CH2-CD1 4.45Å; W399-L403 HydrophobicContact CZ2-CD1 3.68Å; W399-L403 PolarHBondContact O-N 2.85Å; W399-L425 HydrophobicContact CH2-CD1 4.13Å; W399-L425 HydrophobicContact CH2-CD2 4.28Å; W399-L425 HydrophobicContact CZ3-CD1 4.1Å; W399-L493 HydrophobicContact CH2-CB 4.05Å; W399-L493 HydrophobicContact CZ3-CB 4.46Å; W399-M494 HydrophobicContact CB-CE 3.74Å; W399-M494 HydrophobicContact CD2-CB 4.05Å; W399-M494 HydrophobicContact CD2-CE 4.18Å; W399-M494 HydrophobicContact CD2-CG 3.83Å; W399-M494 HydrophobicContact CD2-SD 4.35Å; W399-M494 HydrophobicContact CE3-CB 3.87Å; W399-M494 HydrophobicContact CE3-CG 4.13Å; W399-M494 HydrophobicContact CG-CE 3.62Å; W399-M494 HydrophobicContact CG-CG 4.24Å; W399-M494 HydrophobicContact CG-SD 4.37Å; W399-M494 VanDerWaalsContact CH2-CA 3.41Å; W399-M494 HydrophobicContact CH2-CB 3.91Å; W399-M494 VanDerWaalsContact CH2-N 3.35Å; W399-M494 VanDerWaalsContact CZ2-CA 3.48Å; W399-M494 HydrophobicContact CZ2-CB 4.04Å; W399-M494 HydrophobicContact CZ2-CG 4.3Å; W399-M494 HydrophobicContact CZ3-CB 3.8Å; W399-Y497 HydrophobicContact CZ2-CD1 4.32Å; W399-Y497 HydrophobicContact CZ2-CG 4.17Å; W399-Y497 AromaticContact NE1-CD1 3.93Å; W399-F592 HydrophobicContact CB-CD1 3.87Å; W399-F592 HydrophobicContact CB-CD2 4.33Å; W399-F592 HydrophobicContact CB-CE1 4Å; W399-F592 HydrophobicContact CB-CE2 4.45Å; W399-F592 HydrophobicContact CB-CG 4.06Å; W399-F592 HydrophobicContact CB-CZ 4.3Å; W399-F592 AromaticContact CD1-CD2 3.99Å; W399-F592 AromaticContact CD1-CE2 3.69Å; W399-F592 HydrophobicContact CG-CE2 4.48Å |
| 400 | I | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.1 | -48.5 | -179.9 | -69.9 | 168.6 | 0 | 0 | 0 | 110.8 | Y396 R397 S402 L403 V405 V409 L412 L416 V421 L425 | Y396-I400 WeakPolarHBondContact O-CB 3.4Å; Y396-I400 WeakPolarHBondContact O-CG1 3.33Å; Y396-I400 PolarHBondContact O-N 2.8Å; R397-I400 PolarHBondContact O-N 3.11Å; I400-S402 VanDerWaalsContact C-N 3.3Å; I400-S402 PolarHBondContact O-N 3.16Å; I400-L403 WeakPolarHBondContact O-CB 3.48Å; I400-L403 PolarHBondContact O-N 2.93Å; I400-L403 VanDerWaalsContact O-N 3.14Å; I400-V405 HydrophobicContact CG2-CB 4.37Å; I400-V405 HydrophobicContact CG2-CG1 4.03Å; I400-V405 HydrophobicContact CG2-CG2 3.5Å; I400-V409 HydrophobicContact CG2-CG2 3.73Å; I400-L412 HydrophobicContact CD1-CD1 3.95Å; I400-L416 HydrophobicContact CD1-CD1 4.32Å; I400-L416 HydrophobicContact CD1-CD2 4.4Å; I400-V421 HydrophobicContact CG2-CG1 3.65Å; I400-L425 HydrophobicContact CD1-CD1 4.29Å; I400-L425 HydrophobicContact CG1-CD1 3.99Å; I400-L425 HydrophobicContact CG1-CD2 4.47Å; I400-L425 HydrophobicContact CG2-CD2 4.46Å |
| 401 | N | 96.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.011 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.1 | -33.1 | 179.9 | -74.2 | -26.2 | 0 | 0 | 0 | 112.9 | R397 W399 L403 G404 Y408 V409 | R397-N401 WeakPolarHBondContact O-CB 3.35Å; R397-N401 PolarHBondContact O-N 3.41Å; R397-N401 PolarHBondContact O-ND2 2.78Å; W399-N401 VanDerWaalsContact C-N 3.35Å; W399-N401 PolarHBondContact O-N 3.31Å; N401-L403 PolarHBondContact O-N 3.13Å; N401-G404 PolarHBondContact O-N 3.22Å; N401-G404 VanDerWaalsContact O-N 3.07Å; N401-Y408 HydrophobicContact CB-CD2 4.18Å; N401-Y408 HydrophobicContact CB-CE2 3.59Å; N401-Y408 VanDerWaalsContact CG-CZ 3.47Å; N401-Y408 VanDerWaalsContact ND2-CE1 3.28Å; N401-Y408 WeakPolarHBondContact ND2-CE1 3.48Å; N401-Y408 PolarHBondContact ND2-OH 3.16Å; N401-V409 PolarHBondContact ND2-O 3.09Å; N401-V409 WeakPolarHBondContact OD1-CB 3.16Å; N401-V409 PolarHBondContact OD1-N 3.24Å |
| 402 | S | 96 | Very high | 94.5 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 6% | 0.056 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.4 | -24.8 | 176.4 | 81.9 | 0 | 0 | 0 | 0 | 113.3 | C201 N398 W399 I400 G404 F592 | C201-S402 WeakPolarHBondContact O-CA 3.34Å; N398-S402 WeakPolarHBondContact O-CB 3.34Å; N398-S402 PolarHBondContact O-N 2.89Å; W399-S402 WeakPolarHBondContact O-CB 3.38Å; W399-S402 PolarHBondContact O-N 3.18Å; W399-S402 VanDerWaalsContact O-N 3.15Å; W399-S402 PolarHBondContact O-OG 3.43Å; I400-S402 VanDerWaalsContact C-N 3.3Å; I400-S402 PolarHBondContact O-N 3.16Å; S402-G404 VanDerWaalsContact C-N 3.3Å; S402-F592 VanDerWaalsContact OG-CZ 3.24Å; S402-F592 WeakPolarHBondContact OG-CZ 3.49Å |
| 403 | L | 94.9 | Very high | 94.6 | Very high | 14 Ų | 14 | 26.6 Ų | 26.6 | 7% | 0.073 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 0 | 179.1 | -58.9 | 178.5 | 0 | 0 | 0 | 113.6 | V204 W399 I400 N401 L425 K428 Y497 | V204-L403 WeakPolarHBondContact CG2-O 3.46Å; W399-L403 HydrophobicContact CH2-CD1 4.45Å; W399-L403 HydrophobicContact CZ2-CD1 3.68Å; W399-L403 PolarHBondContact O-N 2.85Å; I400-L403 WeakPolarHBondContact O-CB 3.48Å; I400-L403 PolarHBondContact O-N 2.93Å; I400-L403 VanDerWaalsContact O-N 3.14Å; N401-L403 PolarHBondContact O-N 3.13Å; L403-L425 HydrophobicContact CD1-CD2 3.72Å; L403-K428 WeakPolarHBondContact O-CE 3.33Å; L403-Y497 HydrophobicContact CD2-CE1 4.01Å; L403-Y497 HydrophobicContact CD2-CE2 4.26Å |
| 404 | G | 92.7 | Very high | 94.5 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 26% | 0.258 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 39.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | C202 N401 S402 | C202-G404 VanDerWaalsContact SG-CA 3.51Å; N401-G404 PolarHBondContact O-N 3.22Å; N401-G404 VanDerWaalsContact O-N 3.07Å; S402-G404 VanDerWaalsContact C-N 3.3Å |
| 405 | V | 94.8 | Very high | 94.6 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 5% | 0.048 | 13% | 0.126 | C | C | . | . | trans | -68.5 | 158 | 174.1 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | I400 V409 V421 Q424 L425 | I400-V405 HydrophobicContact CG2-CB 4.37Å; I400-V405 HydrophobicContact CG2-CG1 4.03Å; I400-V405 HydrophobicContact CG2-CG2 3.5Å; V405-V409 HydrophobicContact CG2-CG2 4.16Å; V405-V421 HydrophobicContact CB-CG1 4.07Å; V405-V421 HydrophobicContact CG1-CG1 4.16Å; V405-V421 HydrophobicContact CG2-CG1 3.94Å; V405-Q424 HydrophobicContact CG1-CB 4.4Å; V405-L425 HydrophobicContact CG1-CD2 3.93Å | ||
| 406 | K | 91.9 | Very high | 94.7 | Very high | 159 Ų | 159 | 24.7 Ų | 24.7 | 69% | 0.691 | 13% | 0.126 | S | C | * | . | S | Bend | trans | -133.9 | 128.4 | 176.1 | -65.2 | -174.4 | -179.3 | -178.6 | 0 | 110.8 | Q424 | K406-Q424 PolarHBondContact O-NE2 3.38Š|
| 407 | P | 92.3 | Very high | 94.6 | Very high | 50 Ų | 50 | 25 Ų | 25 | 33% | 0.325 | 13% | 0.127 | S | C | . | . | S | Bend | cis | -65.2 | 161.9 | -3.1 | 29.7 | -36 | 0 | 0 | 0 | 112.6 | V421 | P407-V421 HydrophobicContact CG-CG2 4.48Š|
| 408 | Y | 91.5 | Very high | 94.6 | Very high | 65 Ų | 65 | 24.5 Ų | 24.5 | 26% | 0.255 | 13% | 0.127 | S | C | . | . | trans | -62.2 | 135.4 | 169.3 | -173.8 | -89.5 | 0 | 0 | 0 | 109.2 | G200 N401 T410 | G200-Y408 PolarHBondContact O-OH 2.93Å; N401-Y408 HydrophobicContact CB-CD2 4.18Å; N401-Y408 HydrophobicContact CB-CE2 3.59Å; N401-Y408 VanDerWaalsContact CG-CZ 3.47Å; N401-Y408 VanDerWaalsContact ND2-CE1 3.28Å; N401-Y408 WeakPolarHBondContact ND2-CE1 3.48Å; N401-Y408 PolarHBondContact ND2-OH 3.16Å; Y408-T410 PolarHBondContact O-N 3.39Å | ||
| 409 | V | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -85.7 | 110.3 | -178.8 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | R397 I400 N401 V405 L412 D415 L416 V421 | R397-V409 WeakPolarHBondContact CD-O 3.28Å; R397-V409 HydrophobicContact CG-CB 4.23Å; R397-V409 HydrophobicContact CG-CG1 3.92Å; R397-V409 VanDerWaalsContact CG-O 3.27Å; R397-V409 WeakPolarHBondContact CG-O 3.44Å; I400-V409 HydrophobicContact CG2-CG2 3.73Å; N401-V409 PolarHBondContact ND2-O 3.09Å; N401-V409 WeakPolarHBondContact OD1-CB 3.16Å; N401-V409 PolarHBondContact OD1-N 3.24Å; V405-V409 HydrophobicContact CG2-CG2 4.16Å; V409-L412 HydrophobicContact CG1-CD1 4.29Å; V409-D415 HydrophobicContact CB-CB 4.44Å; V409-D415 HydrophobicContact CG1-CB 4.05Å; V409-D415 HydrophobicContact CG2-CB 4.4Å; V409-L416 HydrophobicContact CG2-CD2 4.44Å; V409-V421 HydrophobicContact CG2-CG1 3.91Å; V409-V421 HydrophobicContact CG2-CG2 4.17Å | ||
| 410 | T | 91.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 8% | 0.08 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -93.6 | -47.7 | 171 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | P261 R397 Y408 D415 | P261-T410 HydrophobicContact CG-CG2 4.46Å; R397-T410 VanDerWaalsContact CD-O 3.3Å; R397-T410 WeakPolarHBondContact CD-O 3.33Å; Y408-T410 PolarHBondContact O-N 3.39Å; T410-D415 PolarHBondContact N-OD2 2.87Å |
| 411 | H | 90.7 | Very high | 94.7 | Very high | 45 Ų | 45 | 24.7 Ų | 24.7 | 21% | 0.208 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -120.8 | 104.5 | -175.6 | -61.4 | -60 | 0 | 0 | 0 | 109.7 | S257 T258 L259 Y413 T414 D415 | S257-H411 PolarHBondContact O-CE1 3.26Å; S257-H411 PolarHBondContact O-NE2 3.4Å; T258-H411 VanDerWaalsContact C-CD2 3.46Å; T258-H411 PolarHBondContact O-CD2 2.79Å; T258-H411 PolarHBondContact O-NE2 3.04Å; L259-H411 PolarHBondContact O-NE2 2.83Å; H411-Y413 VanDerWaalsContact C-N 3.33Å; H411-Y413 PolarHBondContact O-N 2.64Å; H411-Y413 VanDerWaalsContact O-N 3.15Å; H411-T414 PolarHBondContact O-N 3.06Å; H411-D415 PolarHBondContact N-OD2 3.07Å; H411-D415 WeakPolarHBondContact O-CB 3.41Å; H411-D415 PolarHBondContact O-N 3.16Å |
| 412 | L | 94.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -48.8 | -50.1 | -168.3 | -170.4 | 71 | 0 | 0 | 0 | 113.1 | E393 R397 I400 V409 L416 L487 | E393-L412 HydrophobicContact CB-CD2 4.26Å; E393-L412 HydrophobicContact CG-CD2 4.11Å; R397-L412 HydrophobicContact CB-CD1 4.44Å; I400-L412 HydrophobicContact CD1-CD1 3.95Å; V409-L412 HydrophobicContact CG1-CD1 4.29Å; L412-L416 HydrophobicContact CD1-CD1 3.62Å; L412-L416 HydrophobicContact CD1-CG 4.38Å; L412-L416 HydrophobicContact CG-CD1 3.92Å; L412-L416 VanDerWaalsContact O-CB 3.27Å; L412-L416 WeakPolarHBondContact O-CB 3.46Å; L412-L416 WeakPolarHBondContact O-CD1 3.38Å; L412-L416 WeakPolarHBondContact O-CG 3.33Å; L412-L416 PolarHBondContact O-N 3.05Å; L412-L487 HydrophobicContact CD2-CD2 3.74Å |
| 413 | Y | 94.9 | Very high | 94.9 | Very high | 27 Ų | 27 | 24.3 Ų | 24.3 | 11% | 0.106 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -72.4 | -43.1 | -175 | -53.6 | -61.5 | 0 | 0 | 0 | 113.4 | E393 H411 S417 R483 V486 L487 | E393-Y413 VanDerWaalsContact CD-OH 3.3Å; E393-Y413 HydrophobicContact CG-CE2 4.21Å; E393-Y413 WeakPolarHBondContact CG-OH 3.5Å; E393-Y413 WeakPolarHBondContact OE1-CE2 3.43Å; E393-Y413 VanDerWaalsContact OE1-CZ 3.25Å; E393-Y413 PolarHBondContact OE1-OH 2.99Å; H411-Y413 VanDerWaalsContact C-N 3.33Å; H411-Y413 PolarHBondContact O-N 2.64Å; H411-Y413 VanDerWaalsContact O-N 3.15Å; Y413-S417 WeakPolarHBondContact O-CB 3.31Å; Y413-S417 PolarHBondContact O-N 3.11Å; Y413-R483 HydrophobicContact CD1-CB 4.44Å; Y413-R483 HydrophobicContact CD1-CG 4.22Å; Y413-R483 HydrophobicContact CD2-CG 4.03Å; Y413-R483 VanDerWaalsContact CE1-CA 3.41Å; Y413-R483 HydrophobicContact CE1-CB 3.77Å; Y413-R483 HydrophobicContact CE1-CG 3.9Å; Y413-R483 HydrophobicContact CE2-CB 4.25Å; Y413-R483 HydrophobicContact CE2-CG 3.67Å; Y413-R483 HydrophobicContact CG-CG 4.28Å; Y413-V486 HydrophobicContact CD1-CB 3.96Å; Y413-V486 HydrophobicContact CD1-CG1 3.84Å; Y413-V486 HydrophobicContact CD1-CG2 4.48Å; Y413-V486 HydrophobicContact CE1-CB 4.16Å; Y413-V486 HydrophobicContact CE1-CG1 4.18Å; Y413-L487 HydrophobicContact CE1-CG 4.26Å; Y413-L487 WeakPolarHBondContact OH-CD1 3.45Å |
| 414 | T | 92.9 | Very high | 95 | Very high | 34 Ų | 34 | 25.5 Ų | 25.5 | 21% | 0.209 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.7 | -46.8 | -179.1 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | H411 L416 S417 | H411-T414 PolarHBondContact O-N 3.06Å; T414-L416 VanDerWaalsContact C-N 3.31Å; T414-L416 PolarHBondContact O-N 2.79Å; T414-S417 WeakPolarHBondContact O-CB 3.2Å; T414-S417 PolarHBondContact O-N 3.13Å; T414-S417 PolarHBondContact O-OG 3.2Å |
| 415 | D | 94.9 | Very high | 95.3 | Very high | 23 Ų | 23 | 24.4 Ų | 24.4 | 12% | 0.123 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -75.5 | -18.8 | -173.9 | -65.9 | -32.6 | 0 | 0 | 0 | 113.3 | V409 T410 H411 | V409-D415 HydrophobicContact CB-CB 4.44Å; V409-D415 HydrophobicContact CG1-CB 4.05Å; V409-D415 HydrophobicContact CG2-CB 4.4Å; T410-D415 PolarHBondContact N-OD2 2.87Å; H411-D415 PolarHBondContact N-OD2 3.07Å; H411-D415 WeakPolarHBondContact O-CB 3.41Å; H411-D415 PolarHBondContact O-N 3.16Å |
| 416 | L | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -90.9 | -13.6 | 173.2 | -61.7 | -178.3 | 0 | 0 | 0 | 113.5 | I400 V409 L412 T414 N418 G419 V421 L422 V486 C490 | I400-L416 HydrophobicContact CD1-CD1 4.32Å; I400-L416 HydrophobicContact CD1-CD2 4.4Å; V409-L416 HydrophobicContact CG2-CD2 4.44Å; L412-L416 HydrophobicContact CD1-CD1 3.62Å; L412-L416 HydrophobicContact CD1-CG 4.38Å; L412-L416 HydrophobicContact CG-CD1 3.92Å; L412-L416 VanDerWaalsContact O-CB 3.27Å; L412-L416 WeakPolarHBondContact O-CB 3.46Å; L412-L416 WeakPolarHBondContact O-CD1 3.38Å; L412-L416 WeakPolarHBondContact O-CG 3.33Å; L412-L416 PolarHBondContact O-N 3.05Å; T414-L416 VanDerWaalsContact C-N 3.31Å; T414-L416 PolarHBondContact O-N 2.79Å; L416-N418 PolarHBondContact O-N 3.22Å; L416-N418 VanDerWaalsContact O-N 3.15Å; L416-G419 PolarHBondContact O-N 2.89Å; L416-V421 HydrophobicContact CD2-CB 3.6Å; L416-V421 HydrophobicContact CD2-CG1 3.41Å; L416-V421 VanDerWaalsContact CD2-CG1 3.41Å; L416-V421 HydrophobicContact CD2-CG2 4.45Å; L416-L422 HydrophobicContact CB-CG 4.43Å; L416-L422 HydrophobicContact CD1-CD2 4.16Å; L416-L422 HydrophobicContact CD2-CD2 4.03Å; L416-L422 HydrophobicContact CD2-CG 4.18Å; L416-V486 HydrophobicContact CD1-CG1 3.9Å; L416-C490 VanDerWaalsContact CD1-SG 3.55Å |
| 417 | S | 96.7 | Very high | 95.5 | Very high | 5 Ų | 5 | 18.1 Ų | 18.1 | 4% | 0.035 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -15 | -170.2 | 65.5 | 0 | 0 | 0 | 0 | 115.6 | Y413 T414 C456 Q479 | Y413-S417 WeakPolarHBondContact O-CB 3.31Å; Y413-S417 PolarHBondContact O-N 3.11Å; T414-S417 WeakPolarHBondContact O-CB 3.2Å; T414-S417 PolarHBondContact O-N 3.13Å; T414-S417 PolarHBondContact O-OG 3.2Å; S417-C456 PolarHBondContact O-SG 3.05Å; S417-Q479 WeakPolarHBondContact O-CA 3.43Å |
| 418 | N | 96.7 | Very high | 95.6 | Very high | 19 Ų | 19 | 19.5 Ų | 19.5 | 10% | 0.102 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 2.9 | 175.5 | 69.3 | 9.8 | 0 | 0 | 0 | 113.8 | L416 L420 F443 E452 N455 | L416-N418 PolarHBondContact O-N 3.22Å; L416-N418 VanDerWaalsContact O-N 3.15Å; N418-L420 PolarHBondContact O-N 3.06Å; N418-L420 VanDerWaalsContact O-N 3.08Å; N418-L420 PolarHBondContact OD1-N 3.1Å; N418-L420 VanDerWaalsContact OD1-N 3.1Å; N418-F443 HydrophobicContact CB-CE1 4.25Å; N418-F443 HydrophobicContact CB-CE2 4.27Å; N418-F443 HydrophobicContact CB-CZ 3.74Å; N418-E452 HydrophobicContact CB-CB 4.41Å; N418-E452 HydrophobicContact CB-CG 3.7Å; N418-N455 WeakPolarHBondContact O-CB 3.24Å; N418-N455 PolarHBondContact O-ND2 3.23Å |
| 419 | G | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.085 | C | C | . | . | S | Bend | trans | 75.3 | -18.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | L416 V421 L422 L423 | L416-G419 PolarHBondContact O-N 2.89Å; G419-V421 PolarHBondContact O-N 2.82Å; G419-L422 PolarHBondContact O-N 2.95Å; G419-L422 VanDerWaalsContact O-N 3.15Å; G419-L423 WeakPolarHBondContact O-CG 3.23Å; G419-L423 PolarHBondContact O-N 3.38Å |
| 420 | L | 97.6 | Very high | 95.6 | Very high | 15 Ų | 15 | 22.6 Ų | 22.6 | 8% | 0.079 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.9 | -47.5 | -172.1 | -75.7 | -178.8 | 0 | 0 | 0 | 113.5 | N418 L422 L423 Q424 W436 V439 D440 Q441 F443 | N418-L420 PolarHBondContact O-N 3.06Å; N418-L420 VanDerWaalsContact O-N 3.08Å; N418-L420 PolarHBondContact OD1-N 3.1Å; N418-L420 VanDerWaalsContact OD1-N 3.1Å; L420-L422 VanDerWaalsContact C-N 3.35Å; L420-L423 PolarHBondContact O-N 2.84Å; L420-Q424 WeakPolarHBondContact O-CG 3.46Å; L420-Q424 PolarHBondContact O-N 2.84Å; L420-W436 HydrophobicContact CD2-CZ3 4.5Å; L420-V439 HydrophobicContact CD2-CG1 3.43Å; L420-V439 VanDerWaalsContact CD2-CG1 3.43Å; L420-D440 WeakPolarHBondContact CD2-O 3.43Å; L420-Q441 HydrophobicContact CD2-CG 4.14Å; L420-F443 HydrophobicContact CD1-CE2 3.61Å; L420-F443 HydrophobicContact CD1-CZ 3.92Å; L420-F443 HydrophobicContact CG-CE2 4.26Å; L420-F443 HydrophobicContact CG-CZ 4.06Å |
| 421 | V | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 180 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | I400 V405 P407 V409 L416 G419 L423 Q424 L425 | I400-V421 HydrophobicContact CG2-CG1 3.65Å; V405-V421 HydrophobicContact CB-CG1 4.07Å; V405-V421 HydrophobicContact CG1-CG1 4.16Å; V405-V421 HydrophobicContact CG2-CG1 3.94Å; P407-V421 HydrophobicContact CG-CG2 4.48Å; V409-V421 HydrophobicContact CG2-CG1 3.91Å; V409-V421 HydrophobicContact CG2-CG2 4.17Å; L416-V421 HydrophobicContact CD2-CB 3.6Å; L416-V421 HydrophobicContact CD2-CG1 3.41Å; L416-V421 VanDerWaalsContact CD2-CG1 3.41Å; L416-V421 HydrophobicContact CD2-CG2 4.45Å; G419-V421 PolarHBondContact O-N 2.82Å; V421-L423 VanDerWaalsContact C-N 3.35Å; V421-L423 PolarHBondContact O-N 3.28Å; V421-Q424 WeakPolarHBondContact O-CB 3.21Å; V421-Q424 PolarHBondContact O-N 2.89Å; V421-L425 WeakPolarHBondContact O-CG 3.4Å; V421-L425 PolarHBondContact O-N 3.45Å |
| 422 | L | 98.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 178.5 | -64.1 | 176.7 | 0 | 0 | 0 | 111.5 | L416 G419 L420 Q424 L425 F426 V459 I478 V489 L493 | L416-L422 HydrophobicContact CB-CG 4.43Å; L416-L422 HydrophobicContact CD1-CD2 4.16Å; L416-L422 HydrophobicContact CD2-CD2 4.03Å; L416-L422 HydrophobicContact CD2-CG 4.18Å; G419-L422 PolarHBondContact O-N 2.95Å; G419-L422 VanDerWaalsContact O-N 3.15Å; L420-L422 VanDerWaalsContact C-N 3.35Å; L422-Q424 VanDerWaalsContact C-N 3.33Å; L422-Q424 PolarHBondContact O-N 3.22Å; L422-L425 HydrophobicContact CD2-CD1 4.22Å; L422-L425 WeakPolarHBondContact O-CB 3.37Å; L422-L425 PolarHBondContact O-N 2.88Å; L422-L425 VanDerWaalsContact O-N 3.1Å; L422-F426 VanDerWaalsContact O-CD2 3.24Å; L422-F426 WeakPolarHBondContact O-CD2 3.47Å; L422-F426 PolarHBondContact O-N 3.49Å; L422-F426 VanDerWaalsContact O-N 3.16Å; L422-V459 HydrophobicContact CB-CG1 4.08Å; L422-V459 HydrophobicContact CB-CG2 3.74Å; L422-V459 HydrophobicContact CD1-CG1 3.97Å; L422-V459 HydrophobicContact CD1-CG2 4.3Å; L422-I478 HydrophobicContact CD1-CD1 4.13Å; L422-I478 HydrophobicContact CD1-CG2 3.72Å; L422-V489 HydrophobicContact CD1-CG1 4.17Å; L422-V489 HydrophobicContact CD2-CG1 4.01Å; L422-L493 HydrophobicContact CD2-CD1 3.82Å |
| 423 | L | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 173.9 | -69.4 | 168.2 | 0 | 0 | 0 | 111.8 | G419 L420 V421 L425 F426 D427 V434 W436 V439 N455 L458 V459 | G419-L423 WeakPolarHBondContact O-CG 3.23Å; G419-L423 PolarHBondContact O-N 3.38Å; L420-L423 PolarHBondContact O-N 2.84Å; V421-L423 VanDerWaalsContact C-N 3.35Å; V421-L423 PolarHBondContact O-N 3.28Å; L423-L425 VanDerWaalsContact C-N 3.29Å; L423-L425 PolarHBondContact O-N 3.48Å; L423-F426 WeakPolarHBondContact O-CB 3.34Å; L423-F426 PolarHBondContact O-N 3.42Å; L423-D427 PolarHBondContact O-N 3.07Å; L423-V434 HydrophobicContact CB-CG1 4.24Å; L423-V434 HydrophobicContact CB-CG2 4.23Å; L423-V434 HydrophobicContact CD2-CG1 4.02Å; L423-V434 HydrophobicContact CD2-CG2 4.02Å; L423-V434 WeakPolarHBondContact O-CG2 3.42Å; L423-W436 HydrophobicContact CB-CH2 4.08Å; L423-V439 HydrophobicContact CD1-CB 4.44Å; L423-V439 HydrophobicContact CD1-CG1 3.73Å; L423-V439 HydrophobicContact CD1-CG2 3.79Å; L423-N455 HydrophobicContact CD1-CB 4.31Å; L423-L458 HydrophobicContact CD2-CB 4.08Å; L423-V459 HydrophobicContact CD1-CG2 4.49Å; L423-V459 HydrophobicContact CD2-CG2 3.88Å; L423-V459 HydrophobicContact CG-CG2 3.74Å |
| 424 | Q | 97.6 | Very high | 95.5 | Very high | 39 Ų | 39 | 28 Ų | 28 | 18% | 0.182 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.4 | -37.8 | 172.7 | -69.2 | 173.4 | 36.2 | 0 | 0 | 112.3 | V405 K406 L420 V421 L422 F426 D427 K428 W436 | V405-Q424 HydrophobicContact CG1-CB 4.4Å; K406-Q424 PolarHBondContact O-NE2 3.38Å; L420-Q424 WeakPolarHBondContact O-CG 3.46Å; L420-Q424 PolarHBondContact O-N 2.84Å; V421-Q424 WeakPolarHBondContact O-CB 3.21Å; V421-Q424 PolarHBondContact O-N 2.89Å; L422-Q424 VanDerWaalsContact C-N 3.33Å; L422-Q424 PolarHBondContact O-N 3.22Å; Q424-F426 VanDerWaalsContact C-N 3.32Å; Q424-F426 PolarHBondContact O-N 2.7Å; Q424-D427 PolarHBondContact O-N 3.37Å; Q424-K428 WeakPolarHBondContact O-CG 3.39Å; Q424-K428 PolarHBondContact O-N 3.37Å; Q424-W436 HydrophobicContact CG-CH2 3.54Å; Q424-W436 HydrophobicContact CG-CZ2 4.02Å |
| 425 | L | 97.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.8 | -39 | 176.7 | -62.4 | 175.4 | 0 | 0 | 0 | 111.5 | W399 I400 L403 V405 V421 L422 L423 D427 K428 I429 L493 | W399-L425 HydrophobicContact CH2-CD1 4.13Å; W399-L425 HydrophobicContact CH2-CD2 4.28Å; W399-L425 HydrophobicContact CZ3-CD1 4.1Å; I400-L425 HydrophobicContact CD1-CD1 4.29Å; I400-L425 HydrophobicContact CG1-CD1 3.99Å; I400-L425 HydrophobicContact CG1-CD2 4.47Å; I400-L425 HydrophobicContact CG2-CD2 4.46Å; L403-L425 HydrophobicContact CD1-CD2 3.72Å; V405-L425 HydrophobicContact CG1-CD2 3.93Å; V421-L425 WeakPolarHBondContact O-CG 3.4Å; V421-L425 PolarHBondContact O-N 3.45Å; L422-L425 HydrophobicContact CD2-CD1 4.22Å; L422-L425 WeakPolarHBondContact O-CB 3.37Å; L422-L425 PolarHBondContact O-N 2.88Å; L422-L425 VanDerWaalsContact O-N 3.1Å; L423-L425 VanDerWaalsContact C-N 3.29Å; L423-L425 PolarHBondContact O-N 3.48Å; L425-D427 VanDerWaalsContact C-N 3.33Å; L425-D427 PolarHBondContact O-N 3.24Å; L425-K428 WeakPolarHBondContact O-CB 3.47Å; L425-K428 PolarHBondContact O-N 3.17Å; L425-K428 VanDerWaalsContact O-N 3.12Å; L425-I429 VanDerWaalsContact O-CG1 3.31Å; L425-I429 WeakPolarHBondContact O-CG1 3.36Å; L425-I429 PolarHBondContact O-N 3.39Å; L425-L493 HydrophobicContact CB-CD1 4.36Å; L425-L493 HydrophobicContact CD1-CD1 3.99Å |
| 426 | F | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.2 | -45.7 | 172.9 | -78.5 | -73.2 | 0 | 0 | 0 | 111.8 | L422 L423 Q424 K428 I429 K430 V434 V459 A463 M466 I468 F470 L493 | L422-F426 VanDerWaalsContact O-CD2 3.24Å; L422-F426 WeakPolarHBondContact O-CD2 3.47Å; L422-F426 PolarHBondContact O-N 3.49Å; L422-F426 VanDerWaalsContact O-N 3.16Å; L423-F426 WeakPolarHBondContact O-CB 3.34Å; L423-F426 PolarHBondContact O-N 3.42Å; Q424-F426 VanDerWaalsContact C-N 3.32Å; Q424-F426 PolarHBondContact O-N 2.7Å; F426-K428 VanDerWaalsContact C-N 3.27Å; F426-K428 PolarHBondContact O-N 3.06Å; F426-I429 CarbonylContact O-C 3.53Å; F426-I429 WeakPolarHBondContact O-CA 3.26Å; F426-I429 WeakPolarHBondContact O-CB 3.47Å; F426-I429 PolarHBondContact O-N 3Å; F426-K430 PolarHBondContact O-N 3.22Å; F426-V434 HydrophobicContact CB-CG2 3.81Å; F426-V459 HydrophobicContact CE2-CG1 3.93Å; F426-V459 WeakPolarHBondContact CE2-O 3.34Å; F426-V459 WeakPolarHBondContact CZ-O 3.35Å; F426-A463 HydrophobicContact CE1-CB 4.02Å; F426-A463 HydrophobicContact CZ-CB 3.69Å; F426-M466 HydrophobicContact CD1-SD 3.68Å; F426-M466 HydrophobicContact CE1-SD 4.46Å; F426-I468 HydrophobicContact CD1-CD1 4.35Å; F426-I468 HydrophobicContact CE1-CD1 3.85Å; F426-F470 HydrophobicContact CZ-CE2 4.13Å; F426-F470 AromaticContact CZ-CZ 3.95Å; F426-F470 HydrophobicContact CZ-CZ 3.95Å; F426-L493 HydrophobicContact CD1-CD2 4.27Å; F426-L493 HydrophobicContact CE1-CD2 3.74Å; F426-L493 HydrophobicContact CE2-CD2 4.07Å; F426-L493 HydrophobicContact CZ-CD2 3.63Å |
| 427 | D | 94.7 | Very high | 95.5 | Very high | 35 Ų | 35 | 37.5 Ų | 37.5 | 19% | 0.187 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66 | -26.8 | 176 | -103.3 | 15 | 0 | 0 | 0 | 113.6 | L423 Q424 L425 K430 P431 G432 A433 V434 W436 | L423-D427 PolarHBondContact O-N 3.07Å; Q424-D427 PolarHBondContact O-N 3.37Å; L425-D427 VanDerWaalsContact C-N 3.33Å; L425-D427 PolarHBondContact O-N 3.24Å; D427-K430 CarbonylContact O-C 3.16Å; D427-P431 VanDerWaalsContact O-CA 3.27Å; D427-P431 WeakPolarHBondContact O-CA 3.25Å; D427-G432 PolarHBondContact OD1-N 3.5Å; D427-A433 PolarHBondContact OD1-N 3.33Å; D427-V434 PolarHBondContact OD1-N 2.86Å; D427-W436 PolarHBondContact OD2-NE1 2.93Å |
| 428 | K | 93.2 | Very high | 95.5 | Very high | 80 Ų | 80 | 42.2 Ų | 42.2 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -71.5 | -33.8 | 169.6 | -63.3 | -60.2 | -179.6 | -179.8 | 0 | 112.2 | L403 Q424 L425 F426 Y497 K500 | L403-K428 WeakPolarHBondContact O-CE 3.33Å; Q424-K428 WeakPolarHBondContact O-CG 3.39Å; Q424-K428 PolarHBondContact O-N 3.37Å; L425-K428 WeakPolarHBondContact O-CB 3.47Å; L425-K428 PolarHBondContact O-N 3.17Å; L425-K428 VanDerWaalsContact O-N 3.12Å; F426-K428 VanDerWaalsContact C-N 3.27Å; F426-K428 PolarHBondContact O-N 3.06Å; K428-Y497 HydrophobicContact CB-CE2 4.49Å; K428-K500 PolarHBondContact O-NZ 3.13Å |
| 429 | I | 93.9 | Very high | 95.5 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -74.4 | -48.8 | 177.2 | -63.5 | 164.3 | 0 | 0 | 0 | 109.8 | L425 F426 M466 L493 A496 Y497 K500 | L425-I429 VanDerWaalsContact O-CG1 3.31Å; L425-I429 WeakPolarHBondContact O-CG1 3.36Å; L425-I429 PolarHBondContact O-N 3.39Å; F426-I429 CarbonylContact O-C 3.53Å; F426-I429 WeakPolarHBondContact O-CA 3.26Å; F426-I429 WeakPolarHBondContact O-CB 3.47Å; F426-I429 PolarHBondContact O-N 3Å; I429-M466 HydrophobicContact CB-CE 3.98Å; I429-M466 HydrophobicContact CG2-CE 3.47Å; I429-M466 VanDerWaalsContact CG2-CE 3.47Å; I429-L493 HydrophobicContact CD1-CD2 3.92Å; I429-A496 HydrophobicContact CD1-CB 4.04Å; I429-Y497 HydrophobicContact CG1-CD2 4.17Å; I429-K500 HydrophobicContact CG2-CB 4.2Å; I429-K500 HydrophobicContact CG2-CG 4.45Å; I429-K500 WeakPolarHBondContact O-CD 3.37Å; I429-K500 WeakPolarHBondContact O-CE 3.31Å; I429-K500 VanDerWaalsContact O-CG 3.25Å; I429-K500 WeakPolarHBondContact O-CG 3.26Å |
| 430 | K | 92.1 | Very high | 95.5 | Very high | 117 Ų | 117 | 44.5 Ų | 44.5 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -137.3 | 104 | 176.8 | 179.2 | -176.9 | 177 | -170.7 | 0 | 108.4 | F426 D427 G432 A433 M466 | F426-K430 PolarHBondContact O-N 3.22Å; D427-K430 CarbonylContact O-C 3.16Å; K430-G432 PolarHBondContact O-N 2.95Å; K430-A433 HydrophobicContact CB-CB 4.01Å; K430-A433 HydrophobicContact CD-CB 4.28Å; K430-A433 HydrophobicContact CG-CB 4.21Å; K430-A433 WeakPolarHBondContact O-CB 3.37Å; K430-A433 PolarHBondContact O-N 3.38Å; K430-M466 HydrophobicContact CB-CE 3.46Å; K430-M466 VanDerWaalsContact CB-CE 3.46Å; K430-M466 HydrophobicContact CB-SD 4.07Å; K430-M466 HydrophobicContact CD-CE 4.32Å; K430-M466 HydrophobicContact CD-CG 4.43Å; K430-M466 HydrophobicContact CD-SD 4.43Å |
| 431 | P | 92.2 | Very high | 95.3 | Very high | 107 Ų | 107 | 49.2 Ų | 49.2 | 70% | 0.695 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 130.4 | 178.4 | -27.9 | 35.9 | 0 | 0 | 0 | 112.1 | D427 | D427-P431 VanDerWaalsContact O-CA 3.27Å; D427-P431 WeakPolarHBondContact O-CA 3.25Å |
| 432 | G | 91.5 | Very high | 95 | Very high | 66 Ų | 66 | 56.2 Ų | 56.2 | 68% | 0.68 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 17.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | D427 K430 V434 | D427-G432 PolarHBondContact OD1-N 3.5Å; K430-G432 PolarHBondContact O-N 2.95Å; G432-V434 VanDerWaalsContact C-N 3.33Å |
| 433 | A | 91 | Very high | 94.8 | Very high | 22 Ų | 22 | 58 Ų | 58 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | trans | -75.8 | -25 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D427 K430 M466 | D427-A433 PolarHBondContact OD1-N 3.33Å; K430-A433 HydrophobicContact CB-CB 4.01Å; K430-A433 HydrophobicContact CD-CB 4.28Å; K430-A433 HydrophobicContact CG-CB 4.21Å; K430-A433 WeakPolarHBondContact O-CB 3.37Å; K430-A433 PolarHBondContact O-N 3.38Å; A433-M466 HydrophobicContact CB-SD 3.61Å | ||
| 434 | V | 94.9 | Very high | 94.5 | Very high | 9 Ų | 9 | 61.1 Ų | 61.1 | 6% | 0.055 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -102.1 | 125.1 | 178.7 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | L423 F426 D427 G432 W436 V439 | L423-V434 HydrophobicContact CB-CG1 4.24Å; L423-V434 HydrophobicContact CB-CG2 4.23Å; L423-V434 HydrophobicContact CD2-CG1 4.02Å; L423-V434 HydrophobicContact CD2-CG2 4.02Å; L423-V434 WeakPolarHBondContact O-CG2 3.42Å; F426-V434 HydrophobicContact CB-CG2 3.81Å; D427-V434 PolarHBondContact OD1-N 2.86Å; G432-V434 VanDerWaalsContact C-N 3.33Å; V434-W436 HydrophobicContact CB-CZ2 4.41Å; V434-W436 HydrophobicContact CG1-CD2 4.23Å; V434-W436 HydrophobicContact CG1-CG 4.5Å; V434-W436 HydrophobicContact CG1-CZ2 4.32Å; V434-W436 VanDerWaalsContact O-CD1 3.28Å; V434-W436 PolarHBondContact O-N 3.3Å; V434-W436 VanDerWaalsContact O-N 3.14Å; V434-V439 HydrophobicContact CG1-CG2 3.75Å |
| 435 | D | 94.4 | Very high | 94.3 | Very high | 89 Ų | 89 | 64.8 Ų | 64.8 | 48% | 0.476 | 37% | 0.365 | S | S | . | . | trans | -78.1 | 93.7 | 166.9 | -176.7 | -4.1 | 0 | 0 | 0 | 109.7 | S437 L438 | D435-S437 VanDerWaalsContact CG-OG 3.24Å; D435-S437 PolarHBondContact O-N 3.11Å; D435-S437 VanDerWaalsContact O-N 3.11Å; D435-S437 VanDerWaalsContact OD1-CB 3.24Å; D435-S437 WeakPolarHBondContact OD1-CB 3.45Å; D435-S437 PolarHBondContact OD1-N 3.49Å; D435-S437 PolarHBondContact OD1-OG 3.42Å; D435-S437 PolarHBondContact OD2-OG 2.97Å; D435-L438 HydrophobicContact CB-CD1 4.18Å; D435-L438 HydrophobicContact CB-CG 4.3Å; D435-L438 PolarHBondContact O-N 2.94Å; D435-L438 VanDerWaalsContact O-N 3.08Å | ||
| 436 | W | 96.2 | Very high | 94.2 | Very high | 71 Ų | 71 | 73.8 Ų | 73.8 | 27% | 0.269 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -13.8 | 179.8 | -68.7 | 95.5 | 0 | 0 | 0 | 114.3 | L420 L423 Q424 D427 V434 L438 V439 | L420-W436 HydrophobicContact CD2-CZ3 4.5Å; L423-W436 HydrophobicContact CB-CH2 4.08Å; Q424-W436 HydrophobicContact CG-CH2 3.54Å; Q424-W436 HydrophobicContact CG-CZ2 4.02Å; D427-W436 PolarHBondContact OD2-NE1 2.93Å; V434-W436 HydrophobicContact CB-CZ2 4.41Å; V434-W436 HydrophobicContact CG1-CD2 4.23Å; V434-W436 HydrophobicContact CG1-CG 4.5Å; V434-W436 HydrophobicContact CG1-CZ2 4.32Å; V434-W436 VanDerWaalsContact O-CD1 3.28Å; V434-W436 PolarHBondContact O-N 3.3Å; V434-W436 VanDerWaalsContact O-N 3.14Å; W436-L438 PolarHBondContact O-N 3.36Å; W436-V439 HydrophobicContact CE3-CB 4.05Å; W436-V439 HydrophobicContact CE3-CG1 4.06Å; W436-V439 HydrophobicContact CE3-CG2 4.15Å; W436-V439 HydrophobicContact CZ3-CB 4.46Å; W436-V439 HydrophobicContact CZ3-CG1 4Å; W436-V439 PolarHBondContact O-N 2.9Å |
| 437 | S | 95.6 | Very high | 94 | Very high | 98 Ų | 98 | 81.6 Ų | 81.6 | 69% | 0.685 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -21.5 | 174.3 | 77.7 | 0 | 0 | 0 | 0 | 112.7 | D435 | D435-S437 VanDerWaalsContact CG-OG 3.24Å; D435-S437 PolarHBondContact O-N 3.11Å; D435-S437 VanDerWaalsContact O-N 3.11Å; D435-S437 VanDerWaalsContact OD1-CB 3.24Å; D435-S437 WeakPolarHBondContact OD1-CB 3.45Å; D435-S437 PolarHBondContact OD1-N 3.49Å; D435-S437 PolarHBondContact OD1-OG 3.42Å; D435-S437 PolarHBondContact OD2-OG 2.97Å |
| 438 | L | 95.9 | Very high | 94 | Very high | 103 Ų | 103 | 85.7 Ų | 85.7 | 54% | 0.539 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -91.8 | -10.9 | 176.6 | -57.4 | 179.6 | 0 | 0 | 0 | 113 | D435 W436 L458 | D435-L438 HydrophobicContact CB-CD1 4.18Å; D435-L438 HydrophobicContact CB-CG 4.3Å; D435-L438 PolarHBondContact O-N 2.94Å; D435-L438 VanDerWaalsContact O-N 3.08Å; W436-L438 PolarHBondContact O-N 3.36Å; L438-L458 HydrophobicContact CB-CD1 3.94Å; L438-L458 HydrophobicContact CB-CD2 4.36Å; L438-L458 HydrophobicContact CD1-CD2 4.37Å; L438-L458 WeakPolarHBondContact O-CD1 3.34Å |
| 439 | V | 97.3 | Very high | 94 | Very high | 11 Ų | 11 | 87 Ų | 87 | 7% | 0.067 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -91.8 | 121.5 | -172 | -178.3 | 0 | 0 | 0 | 0 | 110.6 | L420 L423 V434 W436 Q441 L458 | L420-V439 HydrophobicContact CD2-CG1 3.43Å; L420-V439 VanDerWaalsContact CD2-CG1 3.43Å; L423-V439 HydrophobicContact CD1-CB 4.44Å; L423-V439 HydrophobicContact CD1-CG1 3.73Å; L423-V439 HydrophobicContact CD1-CG2 3.79Å; V434-V439 HydrophobicContact CG1-CG2 3.75Å; W436-V439 HydrophobicContact CE3-CB 4.05Å; W436-V439 HydrophobicContact CE3-CG1 4.06Å; W436-V439 HydrophobicContact CE3-CG2 4.15Å; W436-V439 HydrophobicContact CZ3-CB 4.46Å; W436-V439 HydrophobicContact CZ3-CG1 4Å; W436-V439 PolarHBondContact O-N 2.9Å; V439-Q441 HydrophobicContact CG1-CG 4.36Å; V439-Q441 PolarHBondContact O-N 3.41Å; V439-L458 HydrophobicContact CG2-CD1 3.98Å |
| 440 | D | 97.1 | Very high | 94.1 | Very high | 56 Ų | 56 | 94 Ų | 94 | 30% | 0.299 | 49% | 0.487 | S | S | . | . | trans | -70.6 | 109.1 | 171.1 | -75.5 | -68.1 | 0 | 0 | 0 | 109.9 | L420 F443 Q451 N455 | L420-D440 WeakPolarHBondContact CD2-O 3.43Å; D440-F443 HydrophobicContact CB-CE1 4.17Å; D440-F443 VanDerWaalsContact O-CZ 3.25Å; D440-F443 WeakPolarHBondContact O-CZ 3.26Å; D440-Q451 HydrophobicContact CB-CB 3.84Å; D440-Q451 HydrophobicContact CB-CG 4.22Å; D440-Q451 PolarHBondContact OD1-NE2 3.26Å; D440-Q451 WeakPolarHBondContact OD2-CA 3.29Å; D440-Q451 WeakPolarHBondContact OD2-CB 3.4Å; D440-Q451 WeakPolarHBondContact OD2-CG 3.24Å; D440-N455 PolarHBondContact N-OD1 3.25Å; D440-N455 PolarHBondContact O-ND2 3.48Å | ||
| 441 | Q | 94.5 | Very high | 94.3 | Very high | 114 Ų | 114 | 89.7 Ų | 89.7 | 53% | 0.533 | 47% | 0.469 | S | S | . | . | trans | -97.4 | -31.2 | 176.4 | -67 | 179.2 | 66.8 | 0 | 0 | 112.5 | L420 V439 | L420-Q441 HydrophobicContact CD2-CG 4.14Å; V439-Q441 HydrophobicContact CG1-CG 4.36Å; V439-Q441 PolarHBondContact O-N 3.41Å | ||
| 442 | D | 92.3 | Very high | 94.5 | Very high | 147 Ų | 147 | 85.4 Ų | 85.4 | 79% | 0.786 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -106.8 | 109 | 175.5 | -67.7 | -44 | 0 | 0 | 0 | 109.7 | Q451 | D442-Q451 PolarHBondContact O-NE2 3.17Š|
| 443 | F | 92.9 | Very high | 94.8 | Very high | 38 Ų | 38 | 84.1 Ų | 84.1 | 17% | 0.167 | 42% | 0.418 | C | S | . | . | trans | -88 | 116.1 | -176.9 | -59.9 | -84.8 | 0 | 0 | 0 | 111 | N418 L420 D440 P445 R448 Q451 E452 N455 | N418-F443 HydrophobicContact CB-CE1 4.25Å; N418-F443 HydrophobicContact CB-CE2 4.27Å; N418-F443 HydrophobicContact CB-CZ 3.74Å; L420-F443 HydrophobicContact CD1-CE2 3.61Å; L420-F443 HydrophobicContact CD1-CZ 3.92Å; L420-F443 HydrophobicContact CG-CE2 4.26Å; L420-F443 HydrophobicContact CG-CZ 4.06Å; D440-F443 HydrophobicContact CB-CE1 4.17Å; D440-F443 VanDerWaalsContact O-CZ 3.25Å; D440-F443 WeakPolarHBondContact O-CZ 3.26Å; F443-P445 WeakPolarHBondContact O-CD 3.5Å; F443-R448 HydrophobicContact CB-CB 4.4Å; F443-R448 HydrophobicContact CB-CG 4.07Å; F443-R448 HydrophobicContact CD1-CG 4.45Å; F443-R448 HydrophobicContact CG-CG 4.49Å; F443-Q451 HydrophobicContact CD1-CB 3.72Å; F443-Q451 HydrophobicContact CE1-CB 4.04Å; F443-E452 HydrophobicContact CD1-CG 3.98Å; F443-E452 HydrophobicContact CE1-CG 3.8Å; F443-N455 WeakPolarHBondContact CZ-ND2 3.33Å | ||
| 444 | D | 93.4 | Very high | 95.1 | Very high | 66 Ų | 66 | 84.4 Ų | 84.4 | 35% | 0.353 | 42% | 0.424 | S | S | . | . | trans | -68.8 | 123 | 169.1 | 176.5 | -20.2 | 0 | 0 | 0 | 108.2 | K446 R447 R448 | D444-K446 PolarHBondContact O-N 3.24Å; D444-K446 WeakPolarHBondContact OD1-CB 3.36Å; D444-K446 PolarHBondContact OD1-N 2.79Å; D444-R447 HydrophobicContact CB-CB 4.3Å; D444-R447 CarbonylContact O-C 3.54Å; D444-R447 PolarHBondContact O-N 3.37Å; D444-R448 WeakPolarHBondContact O-CA 3.18Å; D444-R448 WeakPolarHBondContact O-CB 3.46Å; D444-R448 PolarHBondContact O-N 3.18Å | ||
| 445 | P | 92.9 | Very high | 95.3 | Very high | 117 Ų | 117 | 84 Ų | 84 | 76% | 0.76 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -32.5 | 178.8 | -28.9 | 35.5 | 0 | 0 | 0 | 114.7 | F443 | F443-P445 WeakPolarHBondContact O-CD 3.5Š|
| 446 | K | 94 | Very high | 95.5 | Very high | 191 Ų | 191 | 79.8 Ų | 79.8 | 83% | 0.83 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -24 | 179.9 | -63.6 | -179.3 | -178.6 | 176.5 | 0 | 113.7 | D444 | D444-K446 PolarHBondContact O-N 3.24Å; D444-K446 WeakPolarHBondContact OD1-CB 3.36Å; D444-K446 PolarHBondContact OD1-N 2.79Å |
| 447 | R | 94.4 | Very high | 95.5 | Very high | 164 Ų | 164 | 79.9 Ų | 79.9 | 62% | 0.619 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -1.9 | -176.2 | -62 | -179 | 176.6 | -178.1 | 0.3 | 113.4 | D444 L449 F450 Q451 | D444-R447 HydrophobicContact CB-CB 4.3Å; D444-R447 CarbonylContact O-C 3.54Å; D444-R447 PolarHBondContact O-N 3.37Å; R447-L449 VanDerWaalsContact C-N 3.29Å; R447-L449 PolarHBondContact O-N 3.22Å; R447-L449 VanDerWaalsContact O-N 3.13Å; R447-F450 WeakPolarHBondContact O-CA 3.29Å; R447-F450 WeakPolarHBondContact O-CB 3.25Å; R447-F450 PolarHBondContact O-N 2.94Å; R447-Q451 HydrophobicContact CB-CG 4.37Å; R447-Q451 PolarHBondContact O-N 3.38Å; R447-Q451 VanDerWaalsContact O-N 3.07Å |
| 448 | R | 94.2 | Very high | 95.6 | Very high | 120 Ų | 120 | 76.9 Ų | 76.9 | 45% | 0.453 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -45.3 | -50 | -173.9 | 179.9 | 167.1 | -176.1 | 140.3 | 5.2 | 113 | F443 D444 F450 Q451 E452 | F443-R448 HydrophobicContact CB-CB 4.4Å; F443-R448 HydrophobicContact CB-CG 4.07Å; F443-R448 HydrophobicContact CD1-CG 4.45Å; F443-R448 HydrophobicContact CG-CG 4.49Å; D444-R448 WeakPolarHBondContact O-CA 3.18Å; D444-R448 WeakPolarHBondContact O-CB 3.46Å; D444-R448 PolarHBondContact O-N 3.18Å; R448-F450 VanDerWaalsContact C-N 3.28Å; R448-F450 PolarHBondContact O-N 3.21Å; R448-Q451 PolarHBondContact O-N 3.08Å; R448-E452 HydrophobicContact CG-CG 4.07Å; R448-E452 WeakPolarHBondContact CG-OE1 3.2Å; R448-E452 IonicContact CZ-OE1 3.87Å; R448-E452 IonicContact NE-OE1 2.95Å; R448-E452 PolarHBondContact NE-OE1 3.32Å; R448-E452 IonicContact NH2-OE1 3.85Å; R448-E452 PolarHBondContact NH2-OE1 3.31Å; R448-E452 WeakPolarHBondContact O-CB 3.27Å; R448-E452 VanDerWaalsContact O-CG 3.23Å; R448-E452 WeakPolarHBondContact O-CG 3.3Å; R448-E452 PolarHBondContact O-N 3.26Å |
| 449 | L | 93.4 | Very high | 95.7 | Very high | 107 Ų | 107 | 72 Ų | 72 | 56% | 0.56 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.4 | -39.3 | -179.3 | -167.2 | 74.7 | 0 | 0 | 0 | 112.8 | R447 T453 Q479 | R447-L449 VanDerWaalsContact C-N 3.29Å; R447-L449 PolarHBondContact O-N 3.22Å; R447-L449 VanDerWaalsContact O-N 3.13Å; L449-T453 WeakPolarHBondContact O-CB 3.33Å; L449-T453 PolarHBondContact O-N 3.02Å; L449-T453 PolarHBondContact O-OG1 2.97Å; L449-Q479 VanDerWaalsContact CG-NE2 3.33Å; L449-Q479 PolarHBondContact O-NE2 3.45Å |
| 450 | F | 95.1 | Very high | 95.7 | Very high | 160 Ų | 160 | 72.6 Ų | 72.6 | 70% | 0.702 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -72 | -42.9 | 178.1 | -64.3 | -80.7 | 0 | 0 | 0 | 111.6 | R447 R448 T453 G454 | R447-F450 WeakPolarHBondContact O-CA 3.29Å; R447-F450 WeakPolarHBondContact O-CB 3.25Å; R447-F450 PolarHBondContact O-N 2.94Å; R448-F450 VanDerWaalsContact C-N 3.28Å; R448-F450 PolarHBondContact O-N 3.21Å; F450-T453 PolarHBondContact O-N 3.03Å; F450-G454 PolarHBondContact O-N 3.35Å |
| 451 | Q | 97.1 | Very high | 95.7 | Very high | 28 Ų | 28 | 74 Ų | 74 | 13% | 0.131 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 176.7 | -67.6 | 180 | -69.6 | 0 | 0 | 111.6 | D440 D442 F443 R447 R448 T453 G454 N455 | D440-Q451 HydrophobicContact CB-CB 3.84Å; D440-Q451 HydrophobicContact CB-CG 4.22Å; D440-Q451 PolarHBondContact OD1-NE2 3.26Å; D440-Q451 WeakPolarHBondContact OD2-CA 3.29Å; D440-Q451 WeakPolarHBondContact OD2-CB 3.4Å; D440-Q451 WeakPolarHBondContact OD2-CG 3.24Å; D442-Q451 PolarHBondContact O-NE2 3.17Å; F443-Q451 HydrophobicContact CD1-CB 3.72Å; F443-Q451 HydrophobicContact CE1-CB 4.04Å; R447-Q451 HydrophobicContact CB-CG 4.37Å; R447-Q451 PolarHBondContact O-N 3.38Å; R447-Q451 VanDerWaalsContact O-N 3.07Å; R448-Q451 PolarHBondContact O-N 3.08Å; Q451-T453 VanDerWaalsContact C-N 3.35Å; Q451-T453 PolarHBondContact O-N 3.04Å; Q451-G454 PolarHBondContact O-N 2.93Å; Q451-G454 VanDerWaalsContact O-N 3.14Å; Q451-N455 PolarHBondContact O-N 2.97Å |
| 452 | E | 97.3 | Very high | 95.7 | Very high | 17 Ų | 17 | 69 Ų | 69 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.1 | -44 | 174.4 | -70.1 | 177.6 | 166.2 | 0 | 0 | 111.3 | N418 F443 R448 G454 N455 C456 Q479 | N418-E452 HydrophobicContact CB-CB 4.41Å; N418-E452 HydrophobicContact CB-CG 3.7Å; F443-E452 HydrophobicContact CD1-CG 3.98Å; F443-E452 HydrophobicContact CE1-CG 3.8Å; R448-E452 HydrophobicContact CG-CG 4.07Å; R448-E452 WeakPolarHBondContact CG-OE1 3.2Å; R448-E452 IonicContact CZ-OE1 3.87Å; R448-E452 IonicContact NE-OE1 2.95Å; R448-E452 PolarHBondContact NE-OE1 3.32Å; R448-E452 IonicContact NH2-OE1 3.85Å; R448-E452 PolarHBondContact NH2-OE1 3.31Å; R448-E452 WeakPolarHBondContact O-CB 3.27Å; R448-E452 VanDerWaalsContact O-CG 3.23Å; R448-E452 WeakPolarHBondContact O-CG 3.3Å; R448-E452 PolarHBondContact O-N 3.26Å; E452-G454 VanDerWaalsContact C-N 3.32Å; E452-G454 PolarHBondContact O-N 3.22Å; E452-N455 PolarHBondContact O-N 3.44Å; E452-C456 WeakPolarHBondContact O-CB 3.27Å; E452-C456 PolarHBondContact O-N 2.87Å; E452-C456 PolarHBondContact O-SG 2.82Å; E452-Q479 HydrophobicContact CB-CG 4.11Å |
| 453 | T | 97 | Very high | 95.9 | Very high | 38 Ų | 38 | 62.1 Ų | 62.1 | 23% | 0.233 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 174.3 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | L449 F450 Q451 C456 N457 Q479 | L449-T453 WeakPolarHBondContact O-CB 3.33Å; L449-T453 PolarHBondContact O-N 3.02Å; L449-T453 PolarHBondContact O-OG1 2.97Å; F450-T453 PolarHBondContact O-N 3.03Å; Q451-T453 VanDerWaalsContact C-N 3.35Å; Q451-T453 PolarHBondContact O-N 3.04Å; T453-C456 PolarHBondContact O-N 3.4Å; T453-N457 VanDerWaalsContact O-CG 3.3Å; T453-N457 PolarHBondContact O-N 3.49Å; T453-N457 PolarHBondContact O-ND2 3.15Å; T453-Q479 PolarHBondContact OG1-NE2 2.89Å |
| 454 | G | 97.6 | Very high | 95.8 | Very high | 29 Ų | 29 | 66.5 Ų | 66.5 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.6 | -53.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F450 Q451 E452 C456 N457 L458 | F450-G454 PolarHBondContact O-N 3.35Å; Q451-G454 PolarHBondContact O-N 2.93Å; Q451-G454 VanDerWaalsContact O-N 3.14Å; E452-G454 VanDerWaalsContact C-N 3.32Å; E452-G454 PolarHBondContact O-N 3.22Å; G454-C456 VanDerWaalsContact C-N 3.35Å; G454-C456 PolarHBondContact O-N 3.05Å; G454-N457 WeakPolarHBondContact O-CB 3.44Å; G454-N457 PolarHBondContact O-N 2.93Å; G454-N457 VanDerWaalsContact O-N 3.11Å; G454-L458 PolarHBondContact O-N 3.25Å |
| 455 | N | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.7 | -43 | 175.3 | -74.9 | -6.1 | 0 | 0 | 0 | 112.8 | N418 L423 D440 F443 Q451 E452 N457 L458 V459 | N418-N455 WeakPolarHBondContact O-CB 3.24Å; N418-N455 PolarHBondContact O-ND2 3.23Å; L423-N455 HydrophobicContact CD1-CB 4.31Å; D440-N455 PolarHBondContact N-OD1 3.25Å; D440-N455 PolarHBondContact O-ND2 3.48Å; F443-N455 WeakPolarHBondContact CZ-ND2 3.33Å; Q451-N455 PolarHBondContact O-N 2.97Å; E452-N455 PolarHBondContact O-N 3.44Å; N455-N457 VanDerWaalsContact C-N 3.28Å; N455-N457 PolarHBondContact O-N 3.46Å; N455-L458 WeakPolarHBondContact O-CB 3.46Å; N455-L458 PolarHBondContact O-N 2.97Å; N455-L458 VanDerWaalsContact O-N 3.16Å; N455-V459 WeakPolarHBondContact O-CG2 3.44Å; N455-V459 PolarHBondContact O-N 3.28Å |
| 456 | C | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.6 | -27.2 | 177.6 | -68.7 | 0 | 0 | 0 | 0 | 113 | S417 E452 T453 G454 V459 I460 G475 I478 Q479 | S417-C456 PolarHBondContact O-SG 3.05Å; E452-C456 WeakPolarHBondContact O-CB 3.27Å; E452-C456 PolarHBondContact O-N 2.87Å; E452-C456 PolarHBondContact O-SG 2.82Å; T453-C456 PolarHBondContact O-N 3.4Å; G454-C456 VanDerWaalsContact C-N 3.35Å; G454-C456 PolarHBondContact O-N 3.05Å; C456-V459 WeakPolarHBondContact O-CB 3.34Å; C456-V459 PolarHBondContact O-N 3.34Å; C456-I460 PolarHBondContact O-N 2.94Å; C456-G475 WeakPolarHBondContact CB-O 3.42Å; C456-G475 WeakPolarHBondContact O-CA 3.46Å; C456-I478 HydrophobicContact CB-CB 4.3Å; C456-I478 HydrophobicContact CB-CG2 4.48Å; C456-Q479 HydrophobicContact CB-CB 4.5Å |
| 457 | N | 97.7 | Very high | 95.5 | Very high | 73 Ų | 73 | 61.6 Ų | 61.6 | 39% | 0.39 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.7 | -40.6 | 169.6 | -69.6 | -26.5 | 0 | 0 | 0 | 110.9 | T453 G454 N455 V459 I460 D461 G475 | T453-N457 VanDerWaalsContact O-CG 3.3Å; T453-N457 PolarHBondContact O-N 3.49Å; T453-N457 PolarHBondContact O-ND2 3.15Å; G454-N457 WeakPolarHBondContact O-CB 3.44Å; G454-N457 PolarHBondContact O-N 2.93Å; G454-N457 VanDerWaalsContact O-N 3.11Å; N455-N457 VanDerWaalsContact C-N 3.28Å; N455-N457 PolarHBondContact O-N 3.46Å; N457-V459 PolarHBondContact O-N 2.97Å; N457-I460 WeakPolarHBondContact O-CA 3.32Å; N457-I460 WeakPolarHBondContact O-CB 3.35Å; N457-I460 PolarHBondContact O-N 3.48Å; N457-D461 PolarHBondContact O-N 3.41Å; N457-G475 WeakPolarHBondContact OD1-CA 3.23Å |
| 458 | L | 97.7 | Very high | 95.4 | Very high | 35 Ų | 35 | 54.8 Ų | 54.8 | 18% | 0.183 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.2 | -31.5 | 173.2 | -66.7 | 173.9 | 0 | 0 | 0 | 112.6 | L423 L438 V439 G454 N455 I460 D461 S462 | L423-L458 HydrophobicContact CD2-CB 4.08Å; L438-L458 HydrophobicContact CB-CD1 3.94Å; L438-L458 HydrophobicContact CB-CD2 4.36Å; L438-L458 HydrophobicContact CD1-CD2 4.37Å; L438-L458 WeakPolarHBondContact O-CD1 3.34Å; V439-L458 HydrophobicContact CG2-CD1 3.98Å; G454-L458 PolarHBondContact O-N 3.25Å; N455-L458 WeakPolarHBondContact O-CB 3.46Å; N455-L458 PolarHBondContact O-N 2.97Å; N455-L458 VanDerWaalsContact O-N 3.16Å; L458-I460 VanDerWaalsContact C-N 3.34Å; L458-D461 PolarHBondContact O-N 3.23Å; L458-S462 VanDerWaalsContact O-CB 3.23Å; L458-S462 WeakPolarHBondContact O-CB 3.12Å; L458-S462 PolarHBondContact O-N 3.04Å; L458-S462 PolarHBondContact O-OG 3.32Å |
| 459 | V | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 171.3 | 168.4 | 0 | 0 | 0 | 0 | 111 | L422 L423 F426 N455 C456 N457 A463 F470 I478 | L422-V459 HydrophobicContact CB-CG1 4.08Å; L422-V459 HydrophobicContact CB-CG2 3.74Å; L422-V459 HydrophobicContact CD1-CG1 3.97Å; L422-V459 HydrophobicContact CD1-CG2 4.3Å; L423-V459 HydrophobicContact CD1-CG2 4.49Å; L423-V459 HydrophobicContact CD2-CG2 3.88Å; L423-V459 HydrophobicContact CG-CG2 3.74Å; F426-V459 HydrophobicContact CE2-CG1 3.93Å; F426-V459 WeakPolarHBondContact CE2-O 3.34Å; F426-V459 WeakPolarHBondContact CZ-O 3.35Å; N455-V459 WeakPolarHBondContact O-CG2 3.44Å; N455-V459 PolarHBondContact O-N 3.28Å; C456-V459 WeakPolarHBondContact O-CB 3.34Å; C456-V459 PolarHBondContact O-N 3.34Å; N457-V459 PolarHBondContact O-N 2.97Å; V459-A463 PolarHBondContact O-N 3.07Å; V459-A463 VanDerWaalsContact O-N 3.1Å; V459-F470 HydrophobicContact CG1-CE2 4.32Å; V459-I478 HydrophobicContact CB-CD1 4.43Å; V459-I478 HydrophobicContact CG1-CD1 3.77Å |
| 460 | I | 97.2 | Very high | 95.2 | Very high | 24 Ų | 24 | 55 Ų | 55 | 12% | 0.123 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68 | -44.2 | 177.4 | -55.7 | -55.4 | 0 | 0 | 0 | 110.4 | C456 N457 L458 S462 A463 Q464 F470 V473 I478 | C456-I460 PolarHBondContact O-N 2.94Å; N457-I460 WeakPolarHBondContact O-CA 3.32Å; N457-I460 WeakPolarHBondContact O-CB 3.35Å; N457-I460 PolarHBondContact O-N 3.48Å; L458-I460 VanDerWaalsContact C-N 3.34Å; I460-S462 PolarHBondContact O-N 2.9Å; I460-A463 WeakPolarHBondContact O-CB 3.38Å; I460-A463 PolarHBondContact O-N 3.26Å; I460-Q464 WeakPolarHBondContact O-CG 3.46Å; I460-Q464 PolarHBondContact O-N 3.01Å; I460-F470 HydrophobicContact CD1-CD2 3.92Å; I460-F470 HydrophobicContact CD1-CE2 4.45Å; I460-V473 HydrophobicContact CD1-CG1 4.19Å; I460-I478 HydrophobicContact CD1-CD1 4.11Å |
| 461 | D | 95.3 | Very high | 94.9 | Very high | 85 Ų | 85 | 52.3 Ų | 52.3 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 179.8 | -61.9 | -21.9 | 0 | 0 | 0 | 111.5 | N457 L458 A463 Q464 S465 | N457-D461 PolarHBondContact O-N 3.41Å; L458-D461 PolarHBondContact O-N 3.23Å; D461-A463 VanDerWaalsContact C-N 3.31Å; D461-A463 PolarHBondContact O-N 3.08Å; D461-Q464 PolarHBondContact O-N 2.62Å; D461-S465 PolarHBondContact O-N 3.29Å |
| 462 | S | 96.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 57.8 Ų | 57.8 | 8% | 0.077 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63 | -37.1 | 174.4 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | L458 I460 S465 M466 | L458-S462 VanDerWaalsContact O-CB 3.23Å; L458-S462 WeakPolarHBondContact O-CB 3.12Å; L458-S462 PolarHBondContact O-N 3.04Å; L458-S462 PolarHBondContact O-OG 3.32Å; I460-S462 PolarHBondContact O-N 2.9Å; S462-S465 PolarHBondContact O-OG 2.93Å; S462-M466 WeakPolarHBondContact O-CG 3.39Å; S462-M466 PolarHBondContact O-N 2.72Å |
| 463 | A | 95 | Very high | 94.7 | Very high | 2 Ų | 2 | 58 Ų | 58 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F426 V459 I460 D461 S465 M466 N467 I468 F470 | F426-A463 HydrophobicContact CE1-CB 4.02Å; F426-A463 HydrophobicContact CZ-CB 3.69Å; V459-A463 PolarHBondContact O-N 3.07Å; V459-A463 VanDerWaalsContact O-N 3.1Å; I460-A463 WeakPolarHBondContact O-CB 3.38Å; I460-A463 PolarHBondContact O-N 3.26Å; D461-A463 VanDerWaalsContact C-N 3.31Å; D461-A463 PolarHBondContact O-N 3.08Å; A463-S465 PolarHBondContact O-N 3.37Å; A463-M466 CarbonylContact O-C 3.5Å; A463-M466 PolarHBondContact O-N 2.64Å; A463-M466 VanDerWaalsContact O-N 3.16Å; A463-N467 PolarHBondContact O-N 2.96Å; A463-I468 CarbonylContact C-O 3.57Å; A463-I468 HydrophobicContact CB-CB 4.14Å; A463-I468 HydrophobicContact CB-CG2 4.29Å; A463-I468 WeakPolarHBondContact CB-O 3.46Å; A463-I468 PolarHBondContact O-N 2.98Å; A463-F470 HydrophobicContact CB-CD2 3.82Å; A463-F470 HydrophobicContact CB-CE2 3.41Å; A463-F470 VanDerWaalsContact CB-CE2 3.41Å; A463-F470 HydrophobicContact CB-CZ 4.03Å |
| 464 | Q | 92.4 | Very high | 94.6 | Very high | 129 Ų | 129 | 58.4 Ų | 58.4 | 60% | 0.603 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.3 | -42.9 | -179.8 | -69.1 | 177.5 | 8.9 | 0 | 0 | 112 | I460 D461 M466 N467 | I460-Q464 WeakPolarHBondContact O-CG 3.46Å; I460-Q464 PolarHBondContact O-N 3.01Å; D461-Q464 PolarHBondContact O-N 2.62Å; Q464-M466 PolarHBondContact O-N 3.47Å; Q464-N467 PolarHBondContact O-N 3.1Å; Q464-N467 VanDerWaalsContact O-N 3.09Å |
| 465 | S | 92.3 | Very high | 94.6 | Very high | 80 Ų | 80 | 57.1 Ų | 57.1 | 56% | 0.559 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.1 | -21.3 | 178.4 | 78.1 | 0 | 0 | 0 | 0 | 113.4 | D461 S462 A463 | D461-S465 PolarHBondContact O-N 3.29Å; S462-S465 PolarHBondContact O-OG 2.93Å; A463-S465 PolarHBondContact O-N 3.37Å |
| 466 | M | 90.7 | Very high | 94.5 | Very high | 36 Ų | 36 | 62.5 Ų | 62.5 | 18% | 0.177 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 8.1 | 177.8 | -65.8 | -177.3 | 57.3 | 0 | 0 | 113.7 | F426 I429 K430 A433 S462 A463 Q464 I468 | F426-M466 HydrophobicContact CD1-SD 3.68Å; F426-M466 HydrophobicContact CE1-SD 4.46Å; I429-M466 HydrophobicContact CB-CE 3.98Å; I429-M466 HydrophobicContact CG2-CE 3.47Å; I429-M466 VanDerWaalsContact CG2-CE 3.47Å; K430-M466 HydrophobicContact CB-CE 3.46Å; K430-M466 VanDerWaalsContact CB-CE 3.46Å; K430-M466 HydrophobicContact CB-SD 4.07Å; K430-M466 HydrophobicContact CD-CE 4.32Å; K430-M466 HydrophobicContact CD-CG 4.43Å; K430-M466 HydrophobicContact CD-SD 4.43Å; A433-M466 HydrophobicContact CB-SD 3.61Å; S462-M466 WeakPolarHBondContact O-CG 3.39Å; S462-M466 PolarHBondContact O-N 2.72Å; A463-M466 CarbonylContact O-C 3.5Å; A463-M466 PolarHBondContact O-N 2.64Å; A463-M466 VanDerWaalsContact O-N 3.16Å; Q464-M466 PolarHBondContact O-N 3.47Å; M466-I468 HydrophobicContact CB-CD1 4.06Å; M466-I468 HydrophobicContact CB-CG1 4.18Å; M466-I468 HydrophobicContact CE-CD1 4.16Å; M466-I468 PolarHBondContact O-N 2.68Å |
| 467 | N | 90.4 | Very high | 94.5 | Very high | 156 Ų | 156 | 64.7 Ų | 64.7 | 83% | 0.834 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 26.5 | -173 | -62.3 | -54.8 | 0 | 0 | 0 | 114.1 | A463 Q464 | A463-N467 PolarHBondContact O-N 2.96Å; Q464-N467 PolarHBondContact O-N 3.1Å; Q464-N467 VanDerWaalsContact O-N 3.09Å |
| 468 | I | 92.6 | Very high | 94.5 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | trans | -87.3 | 120.5 | 171.6 | -65.4 | 170.1 | 0 | 0 | 0 | 107.8 | F426 A463 M466 F470 T492 A496 | F426-I468 HydrophobicContact CD1-CD1 4.35Å; F426-I468 HydrophobicContact CE1-CD1 3.85Å; A463-I468 CarbonylContact C-O 3.57Å; A463-I468 HydrophobicContact CB-CB 4.14Å; A463-I468 HydrophobicContact CB-CG2 4.29Å; A463-I468 WeakPolarHBondContact CB-O 3.46Å; A463-I468 PolarHBondContact O-N 2.98Å; M466-I468 HydrophobicContact CB-CD1 4.06Å; M466-I468 HydrophobicContact CB-CG1 4.18Å; M466-I468 HydrophobicContact CE-CD1 4.16Å; M466-I468 PolarHBondContact O-N 2.68Å; I468-F470 HydrophobicContact CG2-CE1 4Å; I468-F470 HydrophobicContact CG2-CZ 4.21Å; I468-T492 HydrophobicContact CG2-CG2 3.5Å; I468-A496 HydrophobicContact CD1-CB 3.79Å; I468-A496 HydrophobicContact CG1-CB 4.25Å | ||
| 469 | R | 89.6 | Confident | 94.4 | Very high | 209 Ų | 209 | 60.4 Ų | 60.4 | 79% | 0.789 | 31% | 0.311 | S | S | * | . | trans | -104.8 | 111.1 | -176.6 | -172.4 | 177.4 | 179.1 | -171.3 | -1.6 | 111.6 | ||||
| 470 | F | 93.6 | Very high | 94.4 | Very high | 24 Ų | 24 | 66.9 Ų | 66.9 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | trans | -83.4 | 131.3 | 163.5 | -55.6 | -48.5 | 0 | 0 | 0 | 110.2 | F426 V459 I460 A463 I468 N472 V473 V489 T492 L493 | F426-F470 HydrophobicContact CZ-CE2 4.13Å; F426-F470 AromaticContact CZ-CZ 3.95Å; F426-F470 HydrophobicContact CZ-CZ 3.95Å; V459-F470 HydrophobicContact CG1-CE2 4.32Å; I460-F470 HydrophobicContact CD1-CD2 3.92Å; I460-F470 HydrophobicContact CD1-CE2 4.45Å; A463-F470 HydrophobicContact CB-CD2 3.82Å; A463-F470 HydrophobicContact CB-CE2 3.41Å; A463-F470 VanDerWaalsContact CB-CE2 3.41Å; A463-F470 HydrophobicContact CB-CZ 4.03Å; I468-F470 HydrophobicContact CG2-CE1 4Å; I468-F470 HydrophobicContact CG2-CZ 4.21Å; F470-N472 PolarHBondContact O-N 3.09Å; F470-V473 HydrophobicContact CB-CB 3.8Å; F470-V473 HydrophobicContact CB-CG2 3.83Å; F470-V489 HydrophobicContact CD1-CB 4.44Å; F470-V489 HydrophobicContact CD1-CG2 4.04Å; F470-V489 HydrophobicContact CD2-CG2 4.37Å; F470-V489 HydrophobicContact CE1-CB 4.2Å; F470-V489 HydrophobicContact CE1-CG1 3.94Å; F470-V489 HydrophobicContact CE1-CG2 4.2Å; F470-V489 HydrophobicContact CE2-CG1 4.36Å; F470-V489 HydrophobicContact CE2-CG2 4.49Å; F470-V489 HydrophobicContact CG-CG2 4.14Å; F470-V489 HydrophobicContact CZ-CB 4.5Å; F470-V489 HydrophobicContact CZ-CG1 3.81Å; F470-V489 HydrophobicContact CZ-CG2 4.42Å; F470-T492 HydrophobicContact CD1-CG2 3.84Å; F470-T492 HydrophobicContact CE1-CG2 3.7Å; F470-L493 HydrophobicContact CE1-CD2 4.49Å; F470-L493 HydrophobicContact CE1-CG 4.28Å; F470-L493 HydrophobicContact CZ-CD2 4.07Å; F470-L493 HydrophobicContact CZ-CG 4.11Å | ||
| 471 | V | 89.5 | Confident | 94.3 | Very high | 102 Ų | 102 | 70.8 Ų | 70.8 | 62% | 0.618 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -85.7 | 112.3 | -178.7 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | V473 | V471-V473 VanDerWaalsContact C-N 3.33Å; V471-V473 PolarHBondContact O-N 2.81Å |
| 472 | N | 92.3 | Very high | 94.3 | Very high | 143 Ų | 143 | 69.9 Ų | 69.9 | 77% | 0.765 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 55.9 | 41.5 | 177.1 | -56.8 | -27.6 | 0 | 0 | 0 | 113.8 | F470 | F470-N472 PolarHBondContact O-N 3.09Š|
| 473 | V | 96.2 | Very high | 94.3 | Very high | 21 Ų | 21 | 75.6 Ų | 75.6 | 13% | 0.127 | 37% | 0.367 | C | S | . | . | trans | -114.8 | 129.6 | 175.7 | -173 | 0 | 0 | 0 | 0 | 109.4 | I460 F470 V471 D477 I478 L485 V489 | I460-V473 HydrophobicContact CD1-CG1 4.19Å; F470-V473 HydrophobicContact CB-CB 3.8Å; F470-V473 HydrophobicContact CB-CG2 3.83Å; V471-V473 VanDerWaalsContact C-N 3.33Å; V471-V473 PolarHBondContact O-N 2.81Å; V473-D477 HydrophobicContact CG1-CB 4.49Å; V473-I478 HydrophobicContact CG1-CD1 4.19Å; V473-I478 HydrophobicContact CG1-CG1 3.93Å; V473-L485 HydrophobicContact CG2-CB 4.12Å; V473-L485 HydrophobicContact CG2-CD2 4.07Å; V473-V489 HydrophobicContact CB-CG2 4.46Å; V473-V489 HydrophobicContact CG1-CG2 3.83Å; V473-V489 HydrophobicContact CG2-CG2 4.2Å | ||
| 474 | S | 96.3 | Very high | 94.3 | Very high | 48 Ų | 48 | 83.8 Ų | 83.8 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | trans | -111.2 | 164.6 | 168.4 | 73.1 | 0 | 0 | 0 | 0 | 111.1 | K476 D477 I478 | S474-K476 PolarHBondContact O-N 2.99Å; S474-K476 PolarHBondContact OG-N 3.45Å; S474-D477 WeakPolarHBondContact CA-OD2 3.29Å; S474-D477 VanDerWaalsContact CB-OD2 3.31Å; S474-D477 WeakPolarHBondContact CB-OD2 3.44Å; S474-D477 PolarHBondContact N-OD2 3.2Å; S474-D477 WeakPolarHBondContact O-CB 3.44Å; S474-D477 PolarHBondContact O-N 2.78Å; S474-D477 VanDerWaalsContact OG-CG 3.24Å; S474-D477 PolarHBondContact OG-N 3.36Å; S474-D477 PolarHBondContact OG-OD2 3.49Å; S474-I478 PolarHBondContact O-N 3.14Å | ||
| 475 | G | 96.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 79.4 Ų | 79.4 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59 | -31.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | C456 N457 D477 I478 Q479 | C456-G475 WeakPolarHBondContact CB-O 3.42Å; C456-G475 WeakPolarHBondContact O-CA 3.46Å; N457-G475 WeakPolarHBondContact OD1-CA 3.23Å; G475-D477 VanDerWaalsContact C-N 3.33Å; G475-D477 PolarHBondContact O-N 2.81Å; G475-I478 PolarHBondContact O-N 2.93Å; G475-Q479 WeakPolarHBondContact O-CB 3.45Å; G475-Q479 PolarHBondContact O-N 2.92Å |
| 476 | K | 96.9 | Very high | 94.7 | Very high | 114 Ų | 114 | 75.7 Ų | 75.7 | 50% | 0.496 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.2 | -33.4 | 176.2 | -170.7 | 174.4 | -177 | 175.4 | 0 | 112.8 | S474 K480 | S474-K476 PolarHBondContact O-N 2.99Å; S474-K476 PolarHBondContact OG-N 3.45Å; K476-K480 VanDerWaalsContact CE-CE 3.41Å; K476-K480 HydrophobicContact CG-CD 4.06Å; K476-K480 HydrophobicContact CG-CG 4.3Å; K476-K480 WeakPolarHBondContact O-CB 3.45Å; K476-K480 VanDerWaalsContact O-CG 3.28Å; K476-K480 WeakPolarHBondContact O-CG 3.39Å; K476-K480 PolarHBondContact O-N 2.85Å |
| 477 | D | 97.4 | Very high | 95 | Very high | 45 Ų | 45 | 75.1 Ų | 75.1 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.3 | -39.2 | 179.3 | -57.6 | -48.8 | 0 | 0 | 0 | 111.2 | V473 S474 G475 R481 D482 L485 | V473-D477 HydrophobicContact CG1-CB 4.49Å; S474-D477 WeakPolarHBondContact CA-OD2 3.29Å; S474-D477 VanDerWaalsContact CB-OD2 3.31Å; S474-D477 WeakPolarHBondContact CB-OD2 3.44Å; S474-D477 PolarHBondContact N-OD2 3.2Å; S474-D477 WeakPolarHBondContact O-CB 3.44Å; S474-D477 PolarHBondContact O-N 2.78Å; S474-D477 VanDerWaalsContact OG-CG 3.24Å; S474-D477 PolarHBondContact OG-N 3.36Å; S474-D477 PolarHBondContact OG-OD2 3.49Å; G475-D477 VanDerWaalsContact C-N 3.33Å; G475-D477 PolarHBondContact O-N 2.81Å; D477-R481 PolarHBondContact O-N 3.37Å; D477-D482 HydrophobicContact CB-CB 4.38Å; D477-D482 PolarHBondContact O-N 2.92Å; D477-L485 HydrophobicContact CB-CD1 3.61Å |
| 478 | I | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.3 | -50.3 | 173.9 | -59.8 | 173 | 0 | 0 | 0 | 110 | L422 C456 V459 I460 V473 S474 G475 K480 R481 V489 | L422-I478 HydrophobicContact CD1-CD1 4.13Å; L422-I478 HydrophobicContact CD1-CG2 3.72Å; C456-I478 HydrophobicContact CB-CB 4.3Å; C456-I478 HydrophobicContact CB-CG2 4.48Å; V459-I478 HydrophobicContact CB-CD1 4.43Å; V459-I478 HydrophobicContact CG1-CD1 3.77Å; I460-I478 HydrophobicContact CD1-CD1 4.11Å; V473-I478 HydrophobicContact CG1-CD1 4.19Å; V473-I478 HydrophobicContact CG1-CG1 3.93Å; S474-I478 PolarHBondContact O-N 3.14Å; G475-I478 PolarHBondContact O-N 2.93Å; I478-K480 VanDerWaalsContact C-N 3.31Å; I478-K480 PolarHBondContact O-N 2.89Å; I478-R481 PolarHBondContact O-N 3.47Å; I478-V489 HydrophobicContact CD1-CG2 4.34Å; I478-V489 HydrophobicContact CG1-CG2 4.5Å |
| 479 | Q | 97.2 | Very high | 95.5 | Very high | 19 Ų | 19 | 68 Ų | 68 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -39.1 | -179.4 | -175.5 | -124.8 | 39.3 | 0 | 0 | 112.6 | S417 L449 E452 T453 C456 G475 R481 | S417-Q479 WeakPolarHBondContact O-CA 3.43Å; L449-Q479 VanDerWaalsContact CG-NE2 3.33Å; L449-Q479 PolarHBondContact O-NE2 3.45Å; E452-Q479 HydrophobicContact CB-CG 4.11Å; T453-Q479 PolarHBondContact OG1-NE2 2.89Å; C456-Q479 HydrophobicContact CB-CB 4.5Å; G475-Q479 WeakPolarHBondContact O-CB 3.45Å; G475-Q479 PolarHBondContact O-N 2.92Å; Q479-R481 PolarHBondContact O-N 3.06Å |
| 480 | K | 96.3 | Very high | 95.9 | Very high | 136 Ų | 136 | 58.1 Ų | 58.1 | 59% | 0.591 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 2.1 | 174.8 | -73.8 | -173 | 167.4 | -163.7 | 0 | 114.5 | K476 I478 D482 | K476-K480 VanDerWaalsContact CE-CE 3.41Å; K476-K480 HydrophobicContact CG-CD 4.06Å; K476-K480 HydrophobicContact CG-CG 4.3Å; K476-K480 WeakPolarHBondContact O-CB 3.45Å; K476-K480 VanDerWaalsContact O-CG 3.28Å; K476-K480 WeakPolarHBondContact O-CG 3.39Å; K476-K480 PolarHBondContact O-N 2.85Å; I478-K480 VanDerWaalsContact C-N 3.31Å; I478-K480 PolarHBondContact O-N 2.89Å; K480-D482 PolarHBondContact O-N 2.72Å |
| 481 | R | 95.4 | Very high | 96 | Very high | 105 Ų | 105 | 58 Ų | 58 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 37.1 | 174.2 | -54 | 176.4 | -168.8 | 169.5 | 3.8 | 112.9 | D477 I478 Q479 R483 | D477-R481 PolarHBondContact O-N 3.37Å; I478-R481 PolarHBondContact O-N 3.47Å; Q479-R481 PolarHBondContact O-N 3.06Å; R481-R483 PolarHBondContact O-N 2.84Å |
| 482 | D | 96.3 | Very high | 96.2 | Very high | 66 Ų | 66 | 54.7 Ų | 54.7 | 35% | 0.353 | 27% | 0.265 | S | S | . | . | trans | -61.2 | 108.9 | 174.2 | -175.7 | -60.2 | 0 | 0 | 0 | 109.5 | D477 K480 K484 L485 V486 | D477-D482 HydrophobicContact CB-CB 4.38Å; D477-D482 PolarHBondContact O-N 2.92Å; K480-D482 PolarHBondContact O-N 2.72Å; D482-K484 VanDerWaalsContact C-N 3.33Å; D482-K484 PolarHBondContact O-N 2.99Å; D482-K484 PolarHBondContact OD1-N 3.19Å; D482-K484 VanDerWaalsContact OD1-N 3.12Å; D482-L485 HydrophobicContact CB-CB 4.09Å; D482-L485 HydrophobicContact CB-CD1 4.13Å; D482-L485 HydrophobicContact CB-CG 4.28Å; D482-L485 PolarHBondContact O-N 3.01Å; D482-L485 WeakPolarHBondContact OD1-CG 3.37Å; D482-L485 PolarHBondContact OD1-N 2.8Å; D482-V486 WeakPolarHBondContact O-CB 3.49Å; D482-V486 VanDerWaalsContact O-CG2 3.26Å; D482-V486 WeakPolarHBondContact O-CG2 3.48Å; D482-V486 PolarHBondContact O-N 3.49Å | ||
| 483 | R | 94.8 | Very high | 96.4 | Very high | 131 Ų | 131 | 47.9 Ų | 47.9 | 49% | 0.494 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.5 | -45.9 | -170.1 | -66.2 | -169.8 | 177.4 | 173.9 | -0.4 | 112.2 | E387 Y413 R481 L487 | E387-R483 IonicContact OE2-CZ 3.45Å; E387-R483 IonicContact OE2-NH1 2.73Å; E387-R483 PolarHBondContact OE2-NH1 2.89Å; E387-R483 IonicContact OE2-NH2 3.84Å; Y413-R483 HydrophobicContact CD1-CB 4.44Å; Y413-R483 HydrophobicContact CD1-CG 4.22Å; Y413-R483 HydrophobicContact CD2-CG 4.03Å; Y413-R483 VanDerWaalsContact CE1-CA 3.41Å; Y413-R483 HydrophobicContact CE1-CB 3.77Å; Y413-R483 HydrophobicContact CE1-CG 3.9Å; Y413-R483 HydrophobicContact CE2-CB 4.25Å; Y413-R483 HydrophobicContact CE2-CG 3.67Å; Y413-R483 HydrophobicContact CG-CG 4.28Å; R481-R483 PolarHBondContact O-N 2.84Å; R483-L487 WeakPolarHBondContact O-CB 3.49Å; R483-L487 VanDerWaalsContact O-CG 3.25Å; R483-L487 WeakPolarHBondContact O-CG 3.48Å; R483-L487 PolarHBondContact O-N 3.37Å |
| 484 | K | 95.5 | Very high | 96.4 | Very high | 175 Ų | 175 | 47 Ų | 47 | 76% | 0.761 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -67.6 | -43.4 | -176.4 | -177.4 | 179.7 | 177.7 | -179 | 0 | 111.1 | D482 G488 | D482-K484 VanDerWaalsContact C-N 3.33Å; D482-K484 PolarHBondContact O-N 2.99Å; D482-K484 PolarHBondContact OD1-N 3.19Å; D482-K484 VanDerWaalsContact OD1-N 3.12Å; K484-G488 PolarHBondContact O-N 3.33Å; K484-G488 VanDerWaalsContact O-N 3.1Å |
| 485 | L | 97 | Very high | 96.2 | Very high | 37 Ų | 37 | 46.5 Ų | 46.5 | 19% | 0.194 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.9 | -40.3 | -178.6 | -62.6 | 179 | 0 | 0 | 0 | 111.5 | V473 D477 D482 G488 V489 | V473-L485 HydrophobicContact CG2-CB 4.12Å; V473-L485 HydrophobicContact CG2-CD2 4.07Å; D477-L485 HydrophobicContact CB-CD1 3.61Å; D482-L485 HydrophobicContact CB-CB 4.09Å; D482-L485 HydrophobicContact CB-CD1 4.13Å; D482-L485 HydrophobicContact CB-CG 4.28Å; D482-L485 PolarHBondContact O-N 3.01Å; D482-L485 WeakPolarHBondContact OD1-CG 3.37Å; D482-L485 PolarHBondContact OD1-N 2.8Å; L485-G488 WeakPolarHBondContact O-CA 3.29Å; L485-G488 PolarHBondContact O-N 3.45Å; L485-G488 VanDerWaalsContact O-N 3.13Å; L485-V489 WeakPolarHBondContact O-CG2 3.45Å; L485-V489 PolarHBondContact O-N 2.81Å |
| 486 | V | 97.4 | Very high | 96 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | Y413 L416 D482 G488 V489 C490 | Y413-V486 HydrophobicContact CD1-CB 3.96Å; Y413-V486 HydrophobicContact CD1-CG1 3.84Å; Y413-V486 HydrophobicContact CD1-CG2 4.48Å; Y413-V486 HydrophobicContact CE1-CB 4.16Å; Y413-V486 HydrophobicContact CE1-CG1 4.18Å; L416-V486 HydrophobicContact CD1-CG1 3.9Å; D482-V486 WeakPolarHBondContact O-CB 3.49Å; D482-V486 VanDerWaalsContact O-CG2 3.26Å; D482-V486 WeakPolarHBondContact O-CG2 3.48Å; D482-V486 PolarHBondContact O-N 3.49Å; V486-G488 VanDerWaalsContact C-N 3.27Å; V486-G488 PolarHBondContact O-N 3.48Å; V486-V489 WeakPolarHBondContact O-CB 3.39Å; V486-V489 PolarHBondContact O-N 3.48Å; V486-C490 PolarHBondContact O-N 2.93Å; V486-C490 PolarHBondContact O-SG 2.93Å; V486-C490 VanDerWaalsContact O-SG 3.36Å |
| 487 | L | 96.2 | Very high | 95.9 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 13% | 0.126 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.2 | -37.7 | 172.9 | -70.2 | 174.5 | 0 | 0 | 0 | 112.1 | E393 Y396 L412 Y413 R483 C490 F491 | E393-L487 HydrophobicContact CG-CD2 3.88Å; Y396-L487 HydrophobicContact CD2-CD2 3.59Å; Y396-L487 HydrophobicContact CE2-CB 4.39Å; Y396-L487 HydrophobicContact CE2-CD2 3.73Å; L412-L487 HydrophobicContact CD2-CD2 3.74Å; Y413-L487 HydrophobicContact CE1-CG 4.26Å; Y413-L487 WeakPolarHBondContact OH-CD1 3.45Å; R483-L487 WeakPolarHBondContact O-CB 3.49Å; R483-L487 VanDerWaalsContact O-CG 3.25Å; R483-L487 WeakPolarHBondContact O-CG 3.48Å; R483-L487 PolarHBondContact O-N 3.37Å; L487-C490 PolarHBondContact O-N 2.92Å; L487-F491 PolarHBondContact O-N 3.3Å |
| 488 | G | 96.1 | Very high | 95.6 | Very high | 26 Ų | 26 | 42.1 Ų | 42.1 | 27% | 0.268 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.2 | -46.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K484 L485 V486 F491 T492 | K484-G488 PolarHBondContact O-N 3.33Å; K484-G488 VanDerWaalsContact O-N 3.1Å; L485-G488 WeakPolarHBondContact O-CA 3.29Å; L485-G488 PolarHBondContact O-N 3.45Å; L485-G488 VanDerWaalsContact O-N 3.13Å; V486-G488 VanDerWaalsContact C-N 3.27Å; V486-G488 PolarHBondContact O-N 3.48Å; G488-F491 PolarHBondContact O-N 3.4Å; G488-T492 PolarHBondContact O-N 3.35Å; G488-T492 PolarHBondContact O-OG1 3.34Å; G488-T492 VanDerWaalsContact O-OG1 3.14Å |
| 489 | V | 97.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.8 | -48.7 | 175.7 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | L422 F470 V473 I478 L485 V486 F491 T492 L493 | L422-V489 HydrophobicContact CD1-CG1 4.17Å; L422-V489 HydrophobicContact CD2-CG1 4.01Å; F470-V489 HydrophobicContact CD1-CB 4.44Å; F470-V489 HydrophobicContact CD1-CG2 4.04Å; F470-V489 HydrophobicContact CD2-CG2 4.37Å; F470-V489 HydrophobicContact CE1-CB 4.2Å; F470-V489 HydrophobicContact CE1-CG1 3.94Å; F470-V489 HydrophobicContact CE1-CG2 4.2Å; F470-V489 HydrophobicContact CE2-CG1 4.36Å; F470-V489 HydrophobicContact CE2-CG2 4.49Å; F470-V489 HydrophobicContact CG-CG2 4.14Å; F470-V489 HydrophobicContact CZ-CB 4.5Å; F470-V489 HydrophobicContact CZ-CG1 3.81Å; F470-V489 HydrophobicContact CZ-CG2 4.42Å; V473-V489 HydrophobicContact CB-CG2 4.46Å; V473-V489 HydrophobicContact CG1-CG2 3.83Å; V473-V489 HydrophobicContact CG2-CG2 4.2Å; I478-V489 HydrophobicContact CD1-CG2 4.34Å; I478-V489 HydrophobicContact CG1-CG2 4.5Å; L485-V489 WeakPolarHBondContact O-CG2 3.45Å; L485-V489 PolarHBondContact O-N 2.81Å; V486-V489 WeakPolarHBondContact O-CB 3.39Å; V486-V489 PolarHBondContact O-N 3.48Å; V489-F491 PolarHBondContact O-N 3.19Å; V489-T492 PolarHBondContact O-N 3.14Å; V489-L493 HydrophobicContact CG1-CD1 3.9Å; V489-L493 HydrophobicContact CG1-CG 4.43Å; V489-L493 WeakPolarHBondContact O-CG 3.49Å; V489-L493 PolarHBondContact O-N 3.36Å |
| 490 | C | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 178.9 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | Y396 L416 V486 L487 L493 M494 | Y396-C490 HydrophobicContact CD1-CB 3.89Å; Y396-C490 HydrophobicContact CD2-CB 3.85Å; Y396-C490 HydrophobicContact CE1-CB 4.38Å; Y396-C490 HydrophobicContact CE2-CB 4.35Å; Y396-C490 HydrophobicContact CG-CB 3.62Å; L416-C490 VanDerWaalsContact CD1-SG 3.55Å; V486-C490 PolarHBondContact O-N 2.93Å; V486-C490 PolarHBondContact O-SG 2.93Å; V486-C490 VanDerWaalsContact O-SG 3.36Å; L487-C490 PolarHBondContact O-N 2.92Å; C490-L493 PolarHBondContact O-N 2.73Å; C490-M494 WeakPolarHBondContact O-CB 3.24Å; C490-M494 PolarHBondContact O-N 3.29Å |
| 491 | F | 95.2 | Very high | 94.6 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 10% | 0.101 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59 | -50.1 | 176.6 | 175.5 | -108.8 | 0 | 0 | 0 | 111.9 | Y396 L487 G488 V489 L493 M494 Q495 K604 M605 T608 | Y396-F491 HydrophobicContact CE1-CB 4.13Å; Y396-F491 WeakPolarHBondContact OH-CB 3.3Å; L487-F491 PolarHBondContact O-N 3.3Å; G488-F491 PolarHBondContact O-N 3.4Å; V489-F491 PolarHBondContact O-N 3.19Å; F491-L493 VanDerWaalsContact C-N 3.31Å; F491-L493 PolarHBondContact O-N 3.05Å; F491-M494 PolarHBondContact O-N 3.44Å; F491-Q495 WeakPolarHBondContact O-CB 3.41Å; F491-Q495 PolarHBondContact O-N 3.41Å; F491-K604 HydrophobicContact CD1-CD 4.27Å; F491-K604 HydrophobicContact CD2-CB 4.01Å; F491-K604 HydrophobicContact CD2-CD 3.92Å; F491-K604 HydrophobicContact CD2-CG 4.21Å; F491-K604 HydrophobicContact CE1-CD 4.32Å; F491-K604 HydrophobicContact CE1-CG 4.35Å; F491-K604 HydrophobicContact CE2-CB 3.52Å; F491-K604 HydrophobicContact CE2-CD 3.99Å; F491-K604 HydrophobicContact CE2-CG 3.77Å; F491-K604 HydrophobicContact CG-CD 4.06Å; F491-K604 HydrophobicContact CZ-CB 4.05Å; F491-K604 HydrophobicContact CZ-CD 4.19Å; F491-K604 HydrophobicContact CZ-CG 3.84Å; F491-M605 HydrophobicContact CD2-CE 4.34Å; F491-T608 HydrophobicContact CE2-CG2 4.43Å |
| 492 | T | 95 | Very high | 94.4 | Very high | 32 Ų | 32 | 34.4 Ų | 34.4 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.4 | -38.9 | -178.1 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | I468 F470 G488 V489 A496 | I468-T492 HydrophobicContact CG2-CG2 3.5Å; F470-T492 HydrophobicContact CD1-CG2 3.84Å; F470-T492 HydrophobicContact CE1-CG2 3.7Å; G488-T492 PolarHBondContact O-N 3.35Å; G488-T492 PolarHBondContact O-OG1 3.34Å; G488-T492 VanDerWaalsContact O-OG1 3.14Å; V489-T492 PolarHBondContact O-N 3.14Å; T492-A496 WeakPolarHBondContact O-CB 3.06Å; T492-A496 PolarHBondContact O-N 3.41Å |
| 493 | L | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.6 | -39.1 | 175.4 | -69.6 | 175.9 | 0 | 0 | 0 | 112.6 | W399 L422 L425 F426 I429 F470 V489 C490 F491 Q495 A496 Y497 | W399-L493 HydrophobicContact CH2-CB 4.05Å; W399-L493 HydrophobicContact CZ3-CB 4.46Å; L422-L493 HydrophobicContact CD2-CD1 3.82Å; L425-L493 HydrophobicContact CB-CD1 4.36Å; L425-L493 HydrophobicContact CD1-CD1 3.99Å; F426-L493 HydrophobicContact CD1-CD2 4.27Å; F426-L493 HydrophobicContact CE1-CD2 3.74Å; F426-L493 HydrophobicContact CE2-CD2 4.07Å; F426-L493 HydrophobicContact CZ-CD2 3.63Å; I429-L493 HydrophobicContact CD1-CD2 3.92Å; F470-L493 HydrophobicContact CE1-CD2 4.49Å; F470-L493 HydrophobicContact CE1-CG 4.28Å; F470-L493 HydrophobicContact CZ-CD2 4.07Å; F470-L493 HydrophobicContact CZ-CG 4.11Å; V489-L493 HydrophobicContact CG1-CD1 3.9Å; V489-L493 HydrophobicContact CG1-CG 4.43Å; V489-L493 WeakPolarHBondContact O-CG 3.49Å; V489-L493 PolarHBondContact O-N 3.36Å; C490-L493 PolarHBondContact O-N 2.73Å; F491-L493 VanDerWaalsContact C-N 3.31Å; F491-L493 PolarHBondContact O-N 3.05Å; L493-Q495 VanDerWaalsContact C-N 3.34Å; L493-A496 PolarHBondContact O-N 3.16Å; L493-Y497 WeakPolarHBondContact O-CB 3.25Å; L493-Y497 PolarHBondContact O-N 2.93Å |
| 494 | M | 95.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -44.9 | 174.4 | -173.8 | 178.9 | -151.7 | 0 | 0 | 111.4 | Y396 W399 C490 F491 Y497 I498 F592 T608 | Y396-M494 HydrophobicContact CD1-SD 4.09Å; Y396-M494 HydrophobicContact CE1-SD 4.05Å; W399-M494 HydrophobicContact CB-CE 3.74Å; W399-M494 HydrophobicContact CD2-CB 4.05Å; W399-M494 HydrophobicContact CD2-CE 4.18Å; W399-M494 HydrophobicContact CD2-CG 3.83Å; W399-M494 HydrophobicContact CD2-SD 4.35Å; W399-M494 HydrophobicContact CE3-CB 3.87Å; W399-M494 HydrophobicContact CE3-CG 4.13Å; W399-M494 HydrophobicContact CG-CE 3.62Å; W399-M494 HydrophobicContact CG-CG 4.24Å; W399-M494 HydrophobicContact CG-SD 4.37Å; W399-M494 VanDerWaalsContact CH2-CA 3.41Å; W399-M494 HydrophobicContact CH2-CB 3.91Å; W399-M494 VanDerWaalsContact CH2-N 3.35Å; W399-M494 VanDerWaalsContact CZ2-CA 3.48Å; W399-M494 HydrophobicContact CZ2-CB 4.04Å; W399-M494 HydrophobicContact CZ2-CG 4.3Å; W399-M494 HydrophobicContact CZ3-CB 3.8Å; C490-M494 WeakPolarHBondContact O-CB 3.24Å; C490-M494 PolarHBondContact O-N 3.29Å; F491-M494 PolarHBondContact O-N 3.44Å; M494-Y497 PolarHBondContact O-N 2.91Å; M494-I498 HydrophobicContact CG-CD1 4.45Å; M494-I498 WeakPolarHBondContact O-CG1 3.15Å; M494-I498 PolarHBondContact O-N 2.9Å; M494-I498 VanDerWaalsContact O-N 3.12Å; M494-F592 HydrophobicContact CE-CB 3.75Å; M494-F592 HydrophobicContact CE-CD2 3.93Å; M494-F592 HydrophobicContact CE-CG 3.99Å; M494-T608 HydrophobicContact SD-CG2 4.43Å |
| 495 | Q | 92 | Very high | 93.1 | Very high | 37 Ų | 37 | 27.4 Ų | 27.4 | 17% | 0.173 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.3 | -56.7 | 174.4 | -169.2 | 174.4 | 22.2 | 0 | 0 | 110 | F491 L493 Y497 I498 F499 D516 | F491-Q495 WeakPolarHBondContact O-CB 3.41Å; F491-Q495 PolarHBondContact O-N 3.41Å; L493-Q495 VanDerWaalsContact C-N 3.34Å; Q495-Y497 PolarHBondContact O-N 3.44Å; Q495-Y497 VanDerWaalsContact O-N 3.14Å; Q495-I498 PolarHBondContact O-N 3.21Å; Q495-F499 HydrophobicContact CG-CD2 3.64Å; Q495-F499 HydrophobicContact CG-CE2 3.41Å; Q495-F499 VanDerWaalsContact CG-CE2 3.41Å; Q495-F499 VanDerWaalsContact O-CD2 3.28Å; Q495-F499 WeakPolarHBondContact O-CD2 3.28Å; Q495-F499 PolarHBondContact O-N 3.4Å; Q495-D516 PolarHBondContact NE2-OD1 3.36Å |
| 496 | A | 92.9 | Very high | 92.3 | Very high | 22 Ų | 22 | 25.7 Ų | 25.7 | 18% | 0.182 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -53.7 | -38.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I429 I468 T492 L493 F499 K500 | I429-A496 HydrophobicContact CD1-CB 4.04Å; I468-A496 HydrophobicContact CD1-CB 3.79Å; I468-A496 HydrophobicContact CG1-CB 4.25Å; T492-A496 WeakPolarHBondContact O-CB 3.06Å; T492-A496 PolarHBondContact O-N 3.41Å; L493-A496 PolarHBondContact O-N 3.16Å; A496-F499 PolarHBondContact O-N 3.42Å; A496-K500 WeakPolarHBondContact O-CB 3.47Å; A496-K500 PolarHBondContact O-N 2.95Å |
| 497 | Y | 94 | Very high | 90.9 | Very high | 34 Ų | 34 | 30.2 Ų | 30.2 | 13% | 0.133 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 175 | -179.6 | -100.9 | 0 | 0 | 0 | 113 | W399 L403 K428 I429 L493 M494 Q495 K500 L501 | W399-Y497 HydrophobicContact CZ2-CD1 4.32Å; W399-Y497 HydrophobicContact CZ2-CG 4.17Å; W399-Y497 AromaticContact NE1-CD1 3.93Å; L403-Y497 HydrophobicContact CD2-CE1 4.01Å; L403-Y497 HydrophobicContact CD2-CE2 4.26Å; K428-Y497 HydrophobicContact CB-CE2 4.49Å; I429-Y497 HydrophobicContact CG1-CD2 4.17Å; L493-Y497 WeakPolarHBondContact O-CB 3.25Å; L493-Y497 PolarHBondContact O-N 2.93Å; M494-Y497 PolarHBondContact O-N 2.91Å; Q495-Y497 PolarHBondContact O-N 3.44Å; Q495-Y497 VanDerWaalsContact O-N 3.14Å; Y497-K500 WeakPolarHBondContact O-CB 3.35Å; Y497-K500 PolarHBondContact O-N 3.13Å; Y497-L501 HydrophobicContact CD1-CD1 4.15Å; Y497-L501 HydrophobicContact CE1-CD1 3.57Å; Y497-L501 HydrophobicContact CE1-CG 4.24Å; Y497-L501 WeakPolarHBondContact O-CG 3.26Å; Y497-L501 PolarHBondContact O-N 3.25Å; Y497-L501 VanDerWaalsContact O-N 3.1Å |
| 498 | I | 91.4 | Very high | 89.4 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65 | -43.1 | 177.2 | -64.8 | 167.9 | 0 | 0 | 0 | 110.8 | M494 Q495 K500 L501 L502 T608 A611 | M494-I498 HydrophobicContact CG-CD1 4.45Å; M494-I498 WeakPolarHBondContact O-CG1 3.15Å; M494-I498 PolarHBondContact O-N 2.9Å; M494-I498 VanDerWaalsContact O-N 3.12Å; Q495-I498 PolarHBondContact O-N 3.21Å; I498-K500 VanDerWaalsContact C-N 3.33Å; I498-K500 PolarHBondContact O-N 3.24Å; I498-L501 PolarHBondContact O-N 3.18Å; I498-L501 VanDerWaalsContact O-N 3.16Å; I498-L502 HydrophobicContact CG2-CD1 4.18Å; I498-L502 PolarHBondContact O-N 3.25Å; I498-T608 HydrophobicContact CD1-CG2 3.95Å; I498-A611 HydrophobicContact CG2-CB 3.6Å |
| 499 | F | 89.4 | Confident | 87.9 | Confident | 24 Ų | 24 | 34.4 Ų | 34.4 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 176.3 | -84.2 | -91.3 | 0 | 0 | 0 | 111.5 | Q495 A496 L501 L502 H503 P513 I519 | Q495-F499 HydrophobicContact CG-CD2 3.64Å; Q495-F499 HydrophobicContact CG-CE2 3.41Å; Q495-F499 VanDerWaalsContact CG-CE2 3.41Å; Q495-F499 VanDerWaalsContact O-CD2 3.28Å; Q495-F499 WeakPolarHBondContact O-CD2 3.28Å; Q495-F499 PolarHBondContact O-N 3.4Å; A496-F499 PolarHBondContact O-N 3.42Å; F499-L501 VanDerWaalsContact C-N 3.33Å; F499-L501 PolarHBondContact O-N 3.42Å; F499-L502 WeakPolarHBondContact O-CB 3.43Å; F499-L502 PolarHBondContact O-N 2.76Å; F499-L502 VanDerWaalsContact O-N 3.14Å; F499-H503 PolarHBondContact O-CD2 2.84Å; F499-H503 PolarHBondContact O-N 3.42Å; F499-P513 VanDerWaalsContact CD1-O 3.28Å; F499-P513 WeakPolarHBondContact CD1-O 3.41Å; F499-P513 HydrophobicContact CE1-CB 4.1Å; F499-P513 HydrophobicContact CE1-CG 4.4Å; F499-P513 WeakPolarHBondContact CE1-O 3.25Å; F499-I519 HydrophobicContact CE1-CD1 4.46Å; F499-I519 HydrophobicContact CE2-CD1 4.07Å; F499-I519 HydrophobicContact CZ-CD1 3.63Å; F499-I519 HydrophobicContact CZ-CG1 4.38Å |
| 500 | K | 90.6 | Very high | 86 | Confident | 44 Ų | 44 | 40.3 Ų | 40.3 | 19% | 0.191 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -54.8 | -47.4 | 172.5 | 174.5 | -119.8 | -179.5 | 177.3 | 0 | 111.9 | K428 I429 A496 Y497 I498 L502 H503 E504 | K428-K500 PolarHBondContact O-NZ 3.13Å; I429-K500 HydrophobicContact CG2-CB 4.2Å; I429-K500 HydrophobicContact CG2-CG 4.45Å; I429-K500 WeakPolarHBondContact O-CD 3.37Å; I429-K500 WeakPolarHBondContact O-CE 3.31Å; I429-K500 VanDerWaalsContact O-CG 3.25Å; I429-K500 WeakPolarHBondContact O-CG 3.26Å; A496-K500 WeakPolarHBondContact O-CB 3.47Å; A496-K500 PolarHBondContact O-N 2.95Å; Y497-K500 WeakPolarHBondContact O-CB 3.35Å; Y497-K500 PolarHBondContact O-N 3.13Å; I498-K500 VanDerWaalsContact C-N 3.33Å; I498-K500 PolarHBondContact O-N 3.24Å; K500-L502 VanDerWaalsContact C-N 3.34Å; K500-L502 PolarHBondContact O-N 3.41Å; K500-H503 PolarHBondContact O-N 2.9Å; K500-E504 WeakPolarHBondContact CE-OE1 3.43Å; K500-E504 IonicContact NZ-OE1 3.62Å; K500-E504 WeakPolarHBondContact O-CG 3.19Å; K500-E504 PolarHBondContact O-N 3.32Å; K500-E504 VanDerWaalsContact O-N 3.08Å |
| 501 | L | 91.2 | Very high | 84.5 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 176.9 | -63.8 | 179.1 | 0 | 0 | 0 | 112.4 | Y497 I498 F499 E504 V505 L615 | Y497-L501 HydrophobicContact CD1-CD1 4.15Å; Y497-L501 HydrophobicContact CE1-CD1 3.57Å; Y497-L501 HydrophobicContact CE1-CG 4.24Å; Y497-L501 WeakPolarHBondContact O-CG 3.26Å; Y497-L501 PolarHBondContact O-N 3.25Å; Y497-L501 VanDerWaalsContact O-N 3.1Å; I498-L501 PolarHBondContact O-N 3.18Å; I498-L501 VanDerWaalsContact O-N 3.16Å; F499-L501 VanDerWaalsContact C-N 3.33Å; F499-L501 PolarHBondContact O-N 3.42Å; L501-E504 PolarHBondContact O-N 3.13Å; L501-V505 PolarHBondContact O-N 2.77Å; L501-L615 HydrophobicContact CB-CD1 3.96Å; L501-L615 HydrophobicContact CB-CD2 3.67Å; L501-L615 HydrophobicContact CB-CG 4.49Å; L501-L615 HydrophobicContact CD1-CD2 3.82Å; L501-L615 HydrophobicContact CG-CD2 4.41Å; L501-L615 WeakPolarHBondContact O-CD1 3.39Å |
| 502 | L | 90.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 174.7 | -77.5 | 165.7 | 0 | 0 | 0 | 111.6 | I498 F499 K500 E504 V505 T506 P513 A611 Q614 L615 Y618 | I498-L502 HydrophobicContact CG2-CD1 4.18Å; I498-L502 PolarHBondContact O-N 3.25Å; F499-L502 WeakPolarHBondContact O-CB 3.43Å; F499-L502 PolarHBondContact O-N 2.76Å; F499-L502 VanDerWaalsContact O-N 3.14Å; K500-L502 VanDerWaalsContact C-N 3.34Å; K500-L502 PolarHBondContact O-N 3.41Å; L502-E504 VanDerWaalsContact C-N 3.31Å; L502-E504 PolarHBondContact O-N 2.97Å; L502-V505 VanDerWaalsContact O-CG2 3.31Å; L502-V505 WeakPolarHBondContact O-CG2 3.36Å; L502-V505 PolarHBondContact O-N 3.35Å; L502-T506 PolarHBondContact O-N 3.37Å; L502-T506 VanDerWaalsContact O-N 3.16Å; L502-T506 PolarHBondContact O-OG1 3.19Å; L502-P513 HydrophobicContact CD1-CG 3.97Å; L502-A611 HydrophobicContact CD1-CB 4.45Å; L502-Q614 HydrophobicContact CD2-CB 4.13Å; L502-Q614 HydrophobicContact CD2-CG 3.89Å; L502-L615 HydrophobicContact CD2-CB 3.81Å; L502-L615 HydrophobicContact CD2-CD1 4.33Å; L502-L615 HydrophobicContact CG-CB 4.31Å; L502-Y618 HydrophobicContact CD2-CD2 4.24Å |
| 503 | H | 87.1 | Confident | 82.4 | Confident | 93 Ų | 93 | 44.5 Ų | 44.5 | 43% | 0.431 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.1 | -37.9 | 175.6 | -82.3 | -75.7 | 0 | 0 | 0 | 112.7 | F499 K500 V505 I512 | F499-H503 PolarHBondContact O-CD2 2.84Å; F499-H503 PolarHBondContact O-N 3.42Å; K500-H503 PolarHBondContact O-N 2.9Å; H503-V505 VanDerWaalsContact C-N 3.32Å; H503-V505 PolarHBondContact O-N 3.42Å; H503-I512 WeakPolarHBondContact CE1-CG2 3.14Å; H503-I512 WeakPolarHBondContact ND1-CD1 3.38Å; H503-I512 WeakPolarHBondContact ND1-CG2 3.29Å |
| 504 | E | 87.2 | Confident | 81.5 | Confident | 111 Ų | 111 | 54.3 Ų | 54.3 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.1 | -29.8 | 179 | -73.3 | 176.7 | 158.5 | 0 | 0 | 113.2 | K500 L501 L502 | K500-E504 WeakPolarHBondContact CE-OE1 3.43Å; K500-E504 IonicContact NZ-OE1 3.62Å; K500-E504 WeakPolarHBondContact O-CG 3.19Å; K500-E504 PolarHBondContact O-N 3.32Å; K500-E504 VanDerWaalsContact O-N 3.08Å; L501-E504 PolarHBondContact O-N 3.13Å; L502-E504 VanDerWaalsContact C-N 3.31Å; L502-E504 PolarHBondContact O-N 2.97Å |
| 505 | V | 85.1 | Confident | 81 | Confident | 20 Ų | 20 | 57.8 Ų | 57.8 | 12% | 0.121 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -97.6 | -9.4 | -177.4 | -57 | 0 | 0 | 0 | 0 | 114.3 | L501 L502 H503 P507 L615 N619 | L501-V505 PolarHBondContact O-N 2.77Å; L502-V505 VanDerWaalsContact O-CG2 3.31Å; L502-V505 WeakPolarHBondContact O-CG2 3.36Å; L502-V505 PolarHBondContact O-N 3.35Å; H503-V505 VanDerWaalsContact C-N 3.32Å; H503-V505 PolarHBondContact O-N 3.42Å; V505-P507 WeakPolarHBondContact O-CD 3.24Å; V505-L615 HydrophobicContact CB-CD1 4.37Å; V505-L615 HydrophobicContact CG1-CD1 3.89Å; V505-L615 HydrophobicContact CG2-CD1 3.53Å; V505-N619 VanDerWaalsContact CG1-OD1 3.24Å; V505-N619 WeakPolarHBondContact CG1-OD1 3.01Å |
| 506 | T | 80.8 | Confident | 80.8 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | trans | -112.2 | 38.5 | 178.4 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | L502 G508 E509 Y618 | L502-T506 PolarHBondContact O-N 3.37Å; L502-T506 VanDerWaalsContact O-N 3.16Å; L502-T506 PolarHBondContact O-OG1 3.19Å; T506-G508 PolarHBondContact O-N 3.42Å; T506-E509 PolarHBondContact O-N 2.77Å; T506-E509 VanDerWaalsContact O-N 3.12Å; T506-Y618 HydrophobicContact CG2-CD1 3.72Å; T506-Y618 HydrophobicContact CG2-CD2 3.57Å; T506-Y618 HydrophobicContact CG2-CE1 3.95Å; T506-Y618 HydrophobicContact CG2-CE2 3.77Å; T506-Y618 HydrophobicContact CG2-CG 3.53Å | ||
| 507 | P | 66.8 | Low | 80.8 | Confident | 96 Ų | 96 | 65.6 Ų | 65.6 | 62% | 0.623 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 113.5 | -176.7 | 28.2 | -33.5 | 0 | 0 | 0 | 110.4 | V505 | V505-P507 WeakPolarHBondContact O-CD 3.24Š|
| 508 | G | 65.5 | Low | 80.7 | Confident | 81 Ų | 81 | 65.3 Ų | 65.3 | 84% | 0.835 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | 3.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | T506 | T506-G508 PolarHBondContact O-N 3.42Š|
| 509 | E | 65 | Low | 80.9 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 27% | 0.271 | 34% | 0.342 | S | S | . | . | trans | -75.2 | 134.5 | 166.8 | -68.4 | -157.5 | 165.9 | 0 | 0 | 110.6 | T506 H511 Y618 K621 | T506-E509 PolarHBondContact O-N 2.77Å; T506-E509 VanDerWaalsContact O-N 3.12Å; E509-H511 PolarHBondContact O-N 3.17Å; E509-Y618 WeakPolarHBondContact OE2-CE1 3.12Å; E509-Y618 PolarHBondContact OE2-OH 3.04Å; E509-K621 IonicContact OE1-NZ 3.07Å; E509-K621 PolarHBondContact OE1-NZ 3.16Å | ||
| 510 | S | 57.8 | Low | 81.2 | Confident | 125 Ų | 125 | 65.1 Ų | 65.1 | 87% | 0.874 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -66.6 | -21.6 | -175 | -46.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 511 | H | 64.8 | Low | 81.5 | Confident | 106 Ų | 106 | 65.6 Ų | 65.6 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | trans | -126.7 | 73.3 | -172.2 | -157.9 | 66 | 0 | 0 | 0 | 110.7 | E509 D518 | E509-H511 PolarHBondContact O-N 3.17Å; H511-D518 IonicContact CE1-OD1 3.18Å; H511-D518 IonicContact NE2-OD1 2.96Å | ||
| 512 | I | 69.4 | Low | 81.6 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 18% | 0.179 | 35% | 0.347 | C | S | . | . | trans | -79.5 | 126.9 | 167.1 | -47.5 | 176.5 | 0 | 0 | 0 | 107 | H503 R514 | H503-I512 WeakPolarHBondContact CE1-CG2 3.14Å; H503-I512 WeakPolarHBondContact ND1-CD1 3.38Å; H503-I512 WeakPolarHBondContact ND1-CG2 3.29Å; I512-R514 WeakPolarHBondContact O-CG 3.46Å; I512-R514 PolarHBondContact O-N 2.88Å | ||
| 513 | P | 77.1 | Confident | 82 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | trans | -57.3 | 136.9 | 180 | 24.4 | -35.3 | 0 | 0 | 0 | 110.2 | F499 L502 D518 I519 | F499-P513 VanDerWaalsContact CD1-O 3.28Å; F499-P513 WeakPolarHBondContact CD1-O 3.41Å; F499-P513 HydrophobicContact CE1-CB 4.1Å; F499-P513 HydrophobicContact CE1-CG 4.4Å; F499-P513 WeakPolarHBondContact CE1-O 3.25Å; L502-P513 HydrophobicContact CD1-CG 3.97Å; P513-D518 HydrophobicContact CB-CB 3.73Å; P513-I519 HydrophobicContact CB-CG1 4.09Å | ||
| 514 | R | 77.8 | Confident | 82.5 | Confident | 206 Ų | 206 | 61.8 Ų | 61.8 | 78% | 0.777 | 33% | 0.334 | S | S | * | . | trans | -112.8 | -22.2 | -178.9 | -57.2 | -178.9 | -176.8 | -180 | 0.4 | 112.5 | I512 D518 | I512-R514 WeakPolarHBondContact O-CG 3.46Å; I512-R514 PolarHBondContact O-N 2.88Å; R514-D518 WeakPolarHBondContact CB-OD2 3.43Å; R514-D518 PolarHBondContact N-OD2 3.33Å | ||
| 515 | D | 84.2 | Confident | 83 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 40% | 0.401 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -149.7 | 179.7 | -177.5 | 65.5 | 25.9 | 0 | 0 | 0 | 111.9 | K517 D518 I519 | D515-K517 PolarHBondContact O-N 3.26Å; D515-K517 WeakPolarHBondContact OD1-CA 3.48Å; D515-K517 VanDerWaalsContact OD1-CB 3.26Å; D515-K517 WeakPolarHBondContact OD1-CB 3.14Å; D515-K517 PolarHBondContact OD1-N 3.28Å; D515-D518 PolarHBondContact O-N 3.15Å; D515-D518 PolarHBondContact OD1-N 3.18Å; D515-I519 PolarHBondContact O-N 2.94Å |
| 516 | D | 89.1 | Confident | 83.5 | Confident | 73 Ų | 73 | 60.3 Ų | 60.3 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.1 | -31.4 | 178.7 | -59.9 | 10 | 0 | 0 | 0 | 112.5 | Q495 L520 F538 L607 | Q495-D516 PolarHBondContact NE2-OD1 3.36Å; D516-L520 PolarHBondContact O-N 2.92Å; D516-L520 VanDerWaalsContact O-N 3.1Å; D516-F538 HydrophobicContact CB-CE2 4.25Å; D516-F538 WeakPolarHBondContact O-CE2 3.46Å; D516-L607 HydrophobicContact CB-CD1 3.44Å; D516-L607 VanDerWaalsContact CB-CD1 3.44Å; D516-L607 VanDerWaalsContact OD1-CD1 3.23Å; D516-L607 WeakPolarHBondContact OD1-CD1 3.21Å; D516-L607 WeakPolarHBondContact OD2-CD1 2.97Å |
| 517 | K | 92.7 | Very high | 84.3 | Confident | 151 Ų | 151 | 60.2 Ų | 60.2 | 66% | 0.657 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -72.5 | -42.4 | -177.4 | -177.2 | -174.4 | 174.8 | -172.8 | 0 | 110.5 | D515 I519 L520 T521 | D515-K517 PolarHBondContact O-N 3.26Å; D515-K517 WeakPolarHBondContact OD1-CA 3.48Å; D515-K517 VanDerWaalsContact OD1-CB 3.26Å; D515-K517 WeakPolarHBondContact OD1-CB 3.14Å; D515-K517 PolarHBondContact OD1-N 3.28Å; K517-I519 VanDerWaalsContact C-N 3.28Å; K517-I519 PolarHBondContact O-N 3.43Å; K517-L520 PolarHBondContact O-N 3.49Å; K517-T521 WeakPolarHBondContact O-CB 3.5Å; K517-T521 PolarHBondContact O-N 3.34Å; K517-T521 PolarHBondContact O-OG1 3.19Å |
| 518 | D | 92.4 | Very high | 85.7 | Confident | 28 Ų | 28 | 61.1 Ų | 61.1 | 15% | 0.15 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 176.2 | -67.4 | -22 | 0 | 0 | 0 | 111.3 | H511 P513 R514 D515 T521 W522 | H511-D518 IonicContact CE1-OD1 3.18Å; H511-D518 IonicContact NE2-OD1 2.96Å; P513-D518 HydrophobicContact CB-CB 3.73Å; R514-D518 WeakPolarHBondContact CB-OD2 3.43Å; R514-D518 PolarHBondContact N-OD2 3.33Å; D515-D518 PolarHBondContact O-N 3.15Å; D515-D518 PolarHBondContact OD1-N 3.18Å; D518-T521 PolarHBondContact O-N 3.47Å; D518-W522 PolarHBondContact O-N 3.24Å |
| 519 | I | 93.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 174.7 | -62.1 | 166.5 | 0 | 0 | 0 | 110.3 | F499 P513 D515 K517 T521 W522 V523 F538 L607 F610 A611 | F499-I519 HydrophobicContact CE1-CD1 4.46Å; F499-I519 HydrophobicContact CE2-CD1 4.07Å; F499-I519 HydrophobicContact CZ-CD1 3.63Å; F499-I519 HydrophobicContact CZ-CG1 4.38Å; P513-I519 HydrophobicContact CB-CG1 4.09Å; D515-I519 PolarHBondContact O-N 2.94Å; K517-I519 VanDerWaalsContact C-N 3.28Å; K517-I519 PolarHBondContact O-N 3.43Å; I519-T521 VanDerWaalsContact C-N 3.34Å; I519-T521 PolarHBondContact O-N 3.29Å; I519-W522 PolarHBondContact O-N 3.36Å; I519-V523 HydrophobicContact CG2-CG2 4.37Å; I519-V523 VanDerWaalsContact O-CG2 3.3Å; I519-V523 WeakPolarHBondContact O-CG2 3.35Å; I519-V523 PolarHBondContact O-N 3.36Å; I519-F538 HydrophobicContact CB-CZ 4.02Å; I519-F538 HydrophobicContact CG2-CE1 4.17Å; I519-F538 HydrophobicContact CG2-CZ 3.76Å; I519-L607 HydrophobicContact CD1-CD1 4.33Å; I519-L607 HydrophobicContact CD1-CD2 4.34Å; I519-L607 HydrophobicContact CD1-CG 4.14Å; I519-F610 HydrophobicContact CG2-CB 4.11Å; I519-A611 HydrophobicContact CD1-CB 3.97Å |
| 520 | L | 96.5 | Very high | 88.6 | Confident | 32 Ų | 32 | 61.6 Ų | 61.6 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.5 | -38.7 | -179.4 | -176.6 | 63 | 0 | 0 | 0 | 112 | D516 K517 V523 N524 L535 F538 | D516-L520 PolarHBondContact O-N 2.92Å; D516-L520 VanDerWaalsContact O-N 3.1Å; K517-L520 PolarHBondContact O-N 3.49Å; L520-V523 PolarHBondContact O-N 2.79Å; L520-N524 WeakPolarHBondContact O-CB 3.44Å; L520-N524 PolarHBondContact O-N 3.47Å; L520-L535 HydrophobicContact CD1-CB 4.43Å; L520-F538 HydrophobicContact CB-CE1 4.33Å; L520-F538 HydrophobicContact CB-CE2 4.07Å; L520-F538 HydrophobicContact CB-CZ 3.72Å; L520-F538 HydrophobicContact CD1-CD1 4.44Å; L520-F538 HydrophobicContact CD1-CE1 4.12Å; L520-F538 HydrophobicContact CD1-CZ 4.31Å |
| 521 | T | 96.1 | Very high | 90.3 | Very high | 55 Ų | 55 | 67 Ų | 67 | 34% | 0.337 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.8 | -50.4 | 173.9 | -70.5 | 0 | 0 | 0 | 0 | 110.6 | K517 D518 I519 V523 N524 E525 | K517-T521 WeakPolarHBondContact O-CB 3.5Å; K517-T521 PolarHBondContact O-N 3.34Å; K517-T521 PolarHBondContact O-OG1 3.19Å; D518-T521 PolarHBondContact O-N 3.47Å; I519-T521 VanDerWaalsContact C-N 3.34Å; I519-T521 PolarHBondContact O-N 3.29Å; T521-V523 VanDerWaalsContact C-N 3.34Å; T521-V523 PolarHBondContact O-N 3.04Å; T521-N524 PolarHBondContact O-N 3.01Å; T521-E525 WeakPolarHBondContact O-CG 3.39Å; T521-E525 PolarHBondContact O-N 3.31Å |
| 522 | W | 95.2 | Very high | 91.8 | Very high | 12 Ų | 12 | 62.6 Ų | 62.6 | 5% | 0.045 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 176.2 | 175.4 | 85.7 | 0 | 0 | 0 | 112.1 | D518 I519 N524 E525 Q526 L552 I556 Q614 Y617 | D518-W522 PolarHBondContact O-N 3.24Å; I519-W522 PolarHBondContact O-N 3.36Å; W522-N524 VanDerWaalsContact C-N 3.31Å; W522-N524 PolarHBondContact O-N 2.8Å; W522-E525 PolarHBondContact O-N 3.4Å; W522-Q526 HydrophobicContact CD2-CG 4.03Å; W522-Q526 HydrophobicContact CH2-CG 4.12Å; W522-Q526 HydrophobicContact CZ2-CG 3.59Å; W522-Q526 WeakPolarHBondContact O-CG 3.39Å; W522-Q526 PolarHBondContact O-N 2.62Å; W522-L552 HydrophobicContact CZ3-CD2 4.25Å; W522-I556 HydrophobicContact CH2-CD1 3.84Å; W522-Q614 HydrophobicContact CD2-CB 4.02Å; W522-Q614 HydrophobicContact CD2-CG 3.65Å; W522-Q614 HydrophobicContact CE3-CB 3.73Å; W522-Q614 HydrophobicContact CE3-CG 3.89Å; W522-Q614 HydrophobicContact CG-CG 4.17Å; W522-Q614 HydrophobicContact CH2-CB 3.73Å; W522-Q614 HydrophobicContact CH2-CG 4.2Å; W522-Q614 HydrophobicContact CZ2-CB 3.99Å; W522-Q614 HydrophobicContact CZ2-CG 3.95Å; W522-Q614 HydrophobicContact CZ3-CB 3.58Å; W522-Q614 HydrophobicContact CZ3-CG 4.17Å; W522-Y617 HydrophobicContact CZ2-CD1 4.06Å; W522-Y617 HydrophobicContact CZ2-CD2 4.45Å; W522-Y617 AromaticContact CZ2-CG 3.85Å; W522-Y617 HydrophobicContact CZ2-CG 3.85Å |
| 523 | V | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.9 | -47.6 | 176.6 | 169 | 0 | 0 | 0 | 0 | 110.5 | I519 L520 T521 Q526 M527 L535 L552 F610 | I519-V523 HydrophobicContact CG2-CG2 4.37Å; I519-V523 VanDerWaalsContact O-CG2 3.3Å; I519-V523 WeakPolarHBondContact O-CG2 3.35Å; I519-V523 PolarHBondContact O-N 3.36Å; L520-V523 PolarHBondContact O-N 2.79Å; T521-V523 VanDerWaalsContact C-N 3.34Å; T521-V523 PolarHBondContact O-N 3.04Å; V523-Q526 PolarHBondContact O-N 2.72Å; V523-M527 HydrophobicContact CG1-CG 4.09Å; V523-M527 WeakPolarHBondContact O-CB 3.37Å; V523-M527 WeakPolarHBondContact O-CG 3.48Å; V523-M527 PolarHBondContact O-N 3.18Å; V523-L535 HydrophobicContact CG1-CD1 3.92Å; V523-L552 HydrophobicContact CG1-CD2 4.36Å; V523-F610 HydrophobicContact CB-CD1 4.47Å; V523-F610 HydrophobicContact CG1-CD1 4.01Å; V523-F610 HydrophobicContact CG1-CE1 3.92Å; V523-F610 HydrophobicContact CG1-CZ 4.33Å; V523-F610 HydrophobicContact CG2-CB 3.63Å; V523-F610 HydrophobicContact CG2-CD1 3.53Å; V523-F610 HydrophobicContact CG2-CD2 4.41Å; V523-F610 HydrophobicContact CG2-CE1 4.28Å; V523-F610 HydrophobicContact CG2-CG 3.61Å |
| 524 | N | 97.9 | Very high | 94 | Very high | 31 Ų | 31 | 73 Ų | 73 | 17% | 0.166 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.6 | -36.4 | -178.5 | -77.6 | -25 | 0 | 0 | 0 | 112.9 | L520 T521 W522 M527 M528 P534 L535 | L520-N524 WeakPolarHBondContact O-CB 3.44Å; L520-N524 PolarHBondContact O-N 3.47Å; T521-N524 PolarHBondContact O-N 3.01Å; W522-N524 VanDerWaalsContact C-N 3.31Å; W522-N524 PolarHBondContact O-N 2.8Å; N524-M527 PolarHBondContact O-N 3.05Å; N524-M528 WeakPolarHBondContact O-CB 3.22Å; N524-M528 WeakPolarHBondContact O-CE 3.47Å; N524-M528 VanDerWaalsContact O-CG 3.29Å; N524-M528 WeakPolarHBondContact O-CG 3.37Å; N524-M528 PolarHBondContact O-N 3.34Å; N524-P534 HydrophobicContact CB-CB 4.22Å; N524-P534 WeakPolarHBondContact OD1-CA 3.48Å; N524-P534 WeakPolarHBondContact OD1-CB 3.31Å; N524-L535 PolarHBondContact ND2-O 3.34Å; N524-L535 PolarHBondContact OD1-N 3.23Å; N524-L535 PolarHBondContact OD1-O 3Å |
| 525 | E | 96.8 | Very high | 95 | Very high | 92 Ų | 92 | 63.6 Ų | 63.6 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.8 | -49.7 | 171.4 | -72.4 | 172 | 178.1 | 0 | 0 | 111.1 | T521 W522 M527 M528 E529 | T521-E525 WeakPolarHBondContact O-CG 3.39Å; T521-E525 PolarHBondContact O-N 3.31Å; W522-E525 PolarHBondContact O-N 3.4Å; E525-M527 PolarHBondContact O-N 3.32Å; E525-M528 HydrophobicContact CG-CE 4.47Å; E525-M528 PolarHBondContact O-N 3.09Å; E525-E529 WeakPolarHBondContact O-CG 3.32Å; E525-E529 PolarHBondContact O-N 2.84Å |
| 526 | Q | 96.7 | Very high | 95.6 | Very high | 7 Ų | 7 | 64.2 Ų | 64.2 | 3% | 0.033 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.6 | -35.3 | 178.9 | -63.4 | -54.1 | -68.2 | 0 | 0 | 112.9 | W522 V523 E529 A530 L552 H555 | W522-Q526 HydrophobicContact CD2-CG 4.03Å; W522-Q526 HydrophobicContact CH2-CG 4.12Å; W522-Q526 HydrophobicContact CZ2-CG 3.59Å; W522-Q526 WeakPolarHBondContact O-CG 3.39Å; W522-Q526 PolarHBondContact O-N 2.62Å; V523-Q526 PolarHBondContact O-N 2.72Å; Q526-E529 PolarHBondContact NE2-OE2 3.15Å; Q526-E529 PolarHBondContact O-N 3.34Å; Q526-E529 PolarHBondContact OE1-OE2 2.87Å; Q526-A530 VanDerWaalsContact O-CB 3.27Å; Q526-A530 WeakPolarHBondContact O-CB 3.33Å; Q526-A530 PolarHBondContact O-N 3.36Å; Q526-L552 HydrophobicContact CB-CD1 3.32Å; Q526-L552 HydrophobicContact CG-CD1 4.33Å; Q526-H555 PolarHBondContact O-CD2 2.97Å; Q526-H555 PolarHBondContact OE1-CD2 2.94Å; Q526-H555 PolarHBondContact OE1-NE2 3.43Å |
| 527 | M | 97.2 | Very high | 96 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 173.8 | -72.3 | -68.6 | -77.1 | 0 | 0 | 111.4 | V523 N524 E525 A530 R531 A532 K533 P548 L552 | V523-M527 HydrophobicContact CG1-CG 4.09Å; V523-M527 WeakPolarHBondContact O-CB 3.37Å; V523-M527 WeakPolarHBondContact O-CG 3.48Å; V523-M527 PolarHBondContact O-N 3.18Å; N524-M527 PolarHBondContact O-N 3.05Å; E525-M527 PolarHBondContact O-N 3.32Å; M527-A530 CarbonylContact O-C 3.35Å; M527-A530 WeakPolarHBondContact O-CB 3.33Å; M527-A530 PolarHBondContact O-N 3.08Å; M527-R531 PolarHBondContact O-N 3.23Å; M527-A532 HydrophobicContact CB-CB 4.44Å; M527-A532 HydrophobicContact CE-CB 3.49Å; M527-A532 VanDerWaalsContact CE-CB 3.49Å; M527-A532 WeakPolarHBondContact O-CA 3.41Å; M527-A532 PolarHBondContact O-N 2.86Å; M527-A532 HydrophobicContact SD-CB 4Å; M527-K533 WeakPolarHBondContact CE-O 3.48Å; M527-P548 HydrophobicContact CE-CB 3.92Å; M527-L552 HydrophobicContact SD-CB 3.86Å |
| 528 | M | 97.2 | Very high | 96.2 | Very high | 115 Ų | 115 | 56.6 Ų | 56.6 | 57% | 0.567 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65 | -43.5 | 175.6 | -73.8 | -175.6 | -66.4 | 0 | 0 | 111.7 | N524 E525 A530 R531 | N524-M528 WeakPolarHBondContact O-CB 3.22Å; N524-M528 WeakPolarHBondContact O-CE 3.47Å; N524-M528 VanDerWaalsContact O-CG 3.29Å; N524-M528 WeakPolarHBondContact O-CG 3.37Å; N524-M528 PolarHBondContact O-N 3.34Å; E525-M528 HydrophobicContact CG-CE 4.47Å; E525-M528 PolarHBondContact O-N 3.09Å; M528-A530 VanDerWaalsContact C-N 3.27Å; M528-A530 PolarHBondContact O-N 2.84Å; M528-R531 WeakPolarHBondContact O-CA 3.42Å; M528-R531 PolarHBondContact O-N 3.03Å |
| 529 | E | 95.8 | Very high | 96.4 | Very high | 116 Ų | 116 | 63 Ų | 63 | 54% | 0.542 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | 173.4 | -71.8 | -178.7 | 178.8 | 0 | 0 | 112 | E525 Q526 R531 H555 | E525-E529 WeakPolarHBondContact O-CG 3.32Å; E525-E529 PolarHBondContact O-N 2.84Å; Q526-E529 PolarHBondContact NE2-OE2 3.15Å; Q526-E529 PolarHBondContact O-N 3.34Å; Q526-E529 PolarHBondContact OE1-OE2 2.87Å; E529-R531 PolarHBondContact O-N 2.86Å; E529-H555 WeakPolarHBondContact CB-NE2 3.13Å; E529-H555 IonicContact OE2-CE1 2.61Å; E529-H555 IonicContact OE2-NE2 3.06Å; E529-H555 PolarHBondContact OE2-NE2 3.26Å; E529-H555 VanDerWaalsContact OE2-NE2 3.1Å |
| 530 | A | 94.2 | Very high | 96.6 | Very high | 32 Ų | 32 | 64.2 Ų | 64.2 | 26% | 0.264 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -2.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q526 M527 M528 A532 H555 | Q526-A530 VanDerWaalsContact O-CB 3.27Å; Q526-A530 WeakPolarHBondContact O-CB 3.33Å; Q526-A530 PolarHBondContact O-N 3.36Å; M527-A530 CarbonylContact O-C 3.35Å; M527-A530 WeakPolarHBondContact O-CB 3.33Å; M527-A530 PolarHBondContact O-N 3.08Å; M528-A530 VanDerWaalsContact C-N 3.27Å; M528-A530 PolarHBondContact O-N 2.84Å; A530-A532 HydrophobicContact CB-CB 4.42Å; A530-A532 PolarHBondContact O-N 3.45Å; A530-H555 HydrophobicContact CB-CB 3.58Å |
| 531 | R | 95.2 | Very high | 96.7 | Very high | 238 Ų | 238 | 67.2 Ų | 67.2 | 90% | 0.898 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 30.1 | -171.6 | -52.9 | 178.9 | -178.7 | -178.6 | -0.4 | 113.2 | M527 M528 E529 | M527-R531 PolarHBondContact O-N 3.23Å; M528-R531 WeakPolarHBondContact O-CA 3.42Å; M528-R531 PolarHBondContact O-N 3.03Å; E529-R531 PolarHBondContact O-N 2.86Å |
| 532 | A | 95 | Very high | 96.7 | Very high | 14 Ų | 14 | 66.7 Ų | 66.7 | 12% | 0.116 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -97.4 | 165.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | M527 A530 Q551 | M527-A532 HydrophobicContact CB-CB 4.44Å; M527-A532 HydrophobicContact CE-CB 3.49Å; M527-A532 VanDerWaalsContact CE-CB 3.49Å; M527-A532 WeakPolarHBondContact O-CA 3.41Å; M527-A532 PolarHBondContact O-N 2.86Å; M527-A532 HydrophobicContact SD-CB 4Å; A530-A532 HydrophobicContact CB-CB 4.42Å; A530-A532 PolarHBondContact O-N 3.45Å; A532-Q551 HydrophobicContact CB-CB 4.15Å |
| 533 | K | 96.1 | Very high | 96.8 | Very high | 179 Ų | 179 | 66.1 Ų | 66.1 | 78% | 0.778 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 133.5 | 177.8 | -68.5 | -177.2 | -179.6 | 178.1 | 0 | 109.9 | M527 | M527-K533 WeakPolarHBondContact CE-O 3.48Š|
| 534 | P | 97.2 | Very high | 96.7 | Very high | 76 Ų | 76 | 67.3 Ų | 67.3 | 49% | 0.494 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 154.3 | 173.3 | 29 | -34.6 | 0 | 0 | 0 | 110.8 | N524 | N524-P534 HydrophobicContact CB-CB 4.22Å; N524-P534 WeakPolarHBondContact OD1-CA 3.48Å; N524-P534 WeakPolarHBondContact OD1-CB 3.31Å |
| 535 | L | 97.7 | Very high | 96.6 | Very high | 9 Ų | 9 | 67.4 Ų | 67.4 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -95.1 | 138.9 | 178.6 | -58.7 | 173 | 0 | 0 | 0 | 110.5 | L520 V523 N524 D540 L543 P548 F610 | L520-L535 HydrophobicContact CD1-CB 4.43Å; V523-L535 HydrophobicContact CG1-CD1 3.92Å; N524-L535 PolarHBondContact ND2-O 3.34Å; N524-L535 PolarHBondContact OD1-N 3.23Å; N524-L535 PolarHBondContact OD1-O 3Å; L535-D540 HydrophobicContact CB-CB 4.29Å; L535-D540 HydrophobicContact CD2-CB 4.04Å; L535-L543 HydrophobicContact CD1-CD1 4.39Å; L535-L543 HydrophobicContact CD1-CD2 3.86Å; L535-L543 HydrophobicContact CD1-CG 4.37Å; L535-L543 HydrophobicContact CD2-CD2 4.26Å; L535-L543 HydrophobicContact CD2-CG 4.21Å; L535-P548 HydrophobicContact CD2-CB 4.15Å; L535-P548 HydrophobicContact CD2-CG 4.3Å; L535-F610 HydrophobicContact CD1-CE2 4.02Å; L535-F610 HydrophobicContact CD1-CZ 3.7Å |
| 536 | S | 96.9 | Very high | 96.6 | Very high | 88 Ų | 88 | 63 Ų | 63 | 62% | 0.615 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -73.6 | -32.9 | 176.9 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | D540 | S536-D540 WeakPolarHBondContact CB-OD2 3.17Å; S536-D540 PolarHBondContact N-OD2 2.99Å; S536-D540 PolarHBondContact OG-OD2 3.46Å |
| 537 | S | 97.5 | Very high | 96.6 | Very high | 44 Ų | 44 | 64.5 Ų | 64.5 | 31% | 0.308 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -166.7 | 177 | 178.1 | 68.3 | 0 | 0 | 0 | 0 | 110.5 | R539 D540 | S537-R539 PolarHBondContact O-N 3.04Å; S537-R539 VanDerWaalsContact O-N 3.07Å; S537-R539 PolarHBondContact OG-N 3.31Å; S537-D540 WeakPolarHBondContact O-CB 3.32Å; S537-D540 PolarHBondContact O-N 3.3Å; S537-D540 VanDerWaalsContact O-N 3.1Å |
| 538 | F | 97.1 | Very high | 96.6 | Very high | 20 Ų | 20 | 64.8 Ų | 64.8 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 5 | 168.2 | -57.3 | -59.6 | 0 | 0 | 0 | 114.2 | D516 I519 L520 G603 I606 L607 F610 | D516-F538 HydrophobicContact CB-CE2 4.25Å; D516-F538 WeakPolarHBondContact O-CE2 3.46Å; I519-F538 HydrophobicContact CB-CZ 4.02Å; I519-F538 HydrophobicContact CG2-CE1 4.17Å; I519-F538 HydrophobicContact CG2-CZ 3.76Å; L520-F538 HydrophobicContact CB-CE1 4.33Å; L520-F538 HydrophobicContact CB-CE2 4.07Å; L520-F538 HydrophobicContact CB-CZ 3.72Å; L520-F538 HydrophobicContact CD1-CD1 4.44Å; L520-F538 HydrophobicContact CD1-CE1 4.12Å; L520-F538 HydrophobicContact CD1-CZ 4.31Å; F538-G603 WeakPolarHBondContact O-CA 3.29Å; F538-I606 HydrophobicContact CB-CB 4.32Å; F538-I606 HydrophobicContact CB-CG2 3.91Å; F538-I606 HydrophobicContact CD1-CG2 4.04Å; F538-I606 HydrophobicContact CG-CG2 4.42Å; F538-I606 VanDerWaalsContact O-CD1 3.27Å; F538-I606 WeakPolarHBondContact O-CD1 3.26Å; F538-L607 HydrophobicContact CD1-CB 4.41Å; F538-L607 HydrophobicContact CD2-CB 3.9Å; F538-L607 HydrophobicContact CD2-CD1 3.99Å; F538-L607 HydrophobicContact CD2-CG 4.41Å; F538-L607 HydrophobicContact CE2-CB 4.08Å; F538-L607 HydrophobicContact CE2-CD1 3.62Å; F538-L607 HydrophobicContact CE2-CG 4.12Å; F538-L607 HydrophobicContact CG-CB 4.08Å; F538-L607 HydrophobicContact CZ-CB 4.38Å; F538-L607 HydrophobicContact CZ-CD1 4.27Å; F538-L607 HydrophobicContact CZ-CG 4.38Å; F538-F610 AromaticContact CD1-CD2 3.8Å; F538-F610 HydrophobicContact CD1-CD2 3.8Å; F538-F610 HydrophobicContact CD1-CE2 4.35Å; F538-F610 HydrophobicContact CE1-CB 4.26Å; F538-F610 AromaticContact CE1-CD2 3.86Å; F538-F610 HydrophobicContact CE1-CD2 3.86Å; F538-F610 HydrophobicContact CE1-CG 4.38Å |
| 539 | R | 97.5 | Very high | 96.6 | Very high | 163 Ų | 163 | 59.3 Ų | 59.3 | 62% | 0.615 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | 18.5 | 171 | -60.4 | -169.9 | 172.8 | 90.4 | -0.5 | 112.2 | S537 | S537-R539 PolarHBondContact O-N 3.04Å; S537-R539 VanDerWaalsContact O-N 3.07Å; S537-R539 PolarHBondContact OG-N 3.31Å |
| 540 | D | 97.8 | Very high | 96.7 | Very high | 25 Ų | 25 | 53.8 Ų | 53.8 | 13% | 0.134 | 29% | 0.285 | C | S | . | . | trans | -59.1 | 127.3 | 177.6 | -165.5 | -64 | 0 | 0 | 0 | 110.6 | L535 S536 S537 A542 L543 L601 | L535-D540 HydrophobicContact CB-CB 4.29Å; L535-D540 HydrophobicContact CD2-CB 4.04Å; S536-D540 WeakPolarHBondContact CB-OD2 3.17Å; S536-D540 PolarHBondContact N-OD2 2.99Å; S536-D540 PolarHBondContact OG-OD2 3.46Å; S537-D540 WeakPolarHBondContact O-CB 3.32Å; S537-D540 PolarHBondContact O-N 3.3Å; S537-D540 VanDerWaalsContact O-N 3.1Å; D540-A542 PolarHBondContact O-N 3.26Å; D540-A542 WeakPolarHBondContact OD1-CB 3.35Å; D540-A542 PolarHBondContact OD1-N 3.26Å; D540-L543 HydrophobicContact CB-CD1 4.01Å; D540-L543 HydrophobicContact CB-CG 4.36Å; D540-L543 VanDerWaalsContact O-CB 3.29Å; D540-L543 WeakPolarHBondContact O-CB 3.38Å; D540-L543 PolarHBondContact O-N 3.4Å; D540-L601 WeakPolarHBondContact O-CD2 3.28Å | ||
| 541 | P | 97.5 | Very high | 96.8 | Very high | 95 Ų | 95 | 55 Ų | 55 | 62% | 0.617 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -55.6 | -27 | -177.7 | -27.5 | 35.2 | 0 | 0 | 0 | 114.6 | L543 A544 | P541-L543 PolarHBondContact O-N 3.07Å; P541-L543 VanDerWaalsContact O-N 3.16Å; P541-A544 WeakPolarHBondContact O-CB 3.39Å; P541-A544 PolarHBondContact O-N 2.92Å |
| 542 | A | 96.5 | Very high | 96.9 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -60.9 | -24.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D540 A544 T545 P548 | D540-A542 PolarHBondContact O-N 3.26Å; D540-A542 WeakPolarHBondContact OD1-CB 3.35Å; D540-A542 PolarHBondContact OD1-N 3.26Å; A542-A544 VanDerWaalsContact C-N 3.26Å; A542-A544 PolarHBondContact O-N 3.43Å; A542-T545 PolarHBondContact O-N 3.43Å; A542-T545 PolarHBondContact O-OG1 3Å; A542-P548 HydrophobicContact CB-CG 4.05Å; A542-P548 WeakPolarHBondContact O-CD 3.2Å |
| 543 | L | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -68.1 | -23.8 | -179.1 | -67.8 | 163.2 | 0 | 0 | 0 | 113.3 | L535 D540 P541 T545 G546 P548 L601 I606 F610 | L535-L543 HydrophobicContact CD1-CD1 4.39Å; L535-L543 HydrophobicContact CD1-CD2 3.86Å; L535-L543 HydrophobicContact CD1-CG 4.37Å; L535-L543 HydrophobicContact CD2-CD2 4.26Å; L535-L543 HydrophobicContact CD2-CG 4.21Å; D540-L543 HydrophobicContact CB-CD1 4.01Å; D540-L543 HydrophobicContact CB-CG 4.36Å; D540-L543 VanDerWaalsContact O-CB 3.29Å; D540-L543 WeakPolarHBondContact O-CB 3.38Å; D540-L543 PolarHBondContact O-N 3.4Å; P541-L543 PolarHBondContact O-N 3.07Å; P541-L543 VanDerWaalsContact O-N 3.16Å; L543-T545 PolarHBondContact O-N 3.48Å; L543-T545 VanDerWaalsContact O-N 3.16Å; L543-G546 PolarHBondContact O-N 2.65Å; L543-P548 HydrophobicContact CD2-CB 4.09Å; L543-P548 HydrophobicContact CD2-CG 4.36Å; L543-L601 HydrophobicContact CB-CD2 3.88Å; L543-I606 HydrophobicContact CD1-CD1 4.31Å; L543-I606 HydrophobicContact CD1-CG2 3.91Å; L543-F610 HydrophobicContact CD2-CE2 3.78Å; L543-F610 HydrophobicContact CD2-CZ 3.68Å |
| 544 | A | 96.7 | Very high | 97.1 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 21% | 0.207 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -62 | -23.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | P541 A542 R577 L598 L601 | P541-A544 WeakPolarHBondContact O-CB 3.39Å; P541-A544 PolarHBondContact O-N 2.92Å; A542-A544 VanDerWaalsContact C-N 3.26Å; A542-A544 PolarHBondContact O-N 3.43Å; A544-R577 VanDerWaalsContact O-CD 3.29Å; A544-R577 WeakPolarHBondContact O-CD 3.47Å; A544-R577 WeakPolarHBondContact O-CG 3.22Å; A544-R577 PolarHBondContact O-NH1 3.24Å; A544-L598 WeakPolarHBondContact CA-O 3.35Å; A544-L601 HydrophobicContact CB-CD2 4.18Å |
| 545 | T | 95.4 | Very high | 97.1 | Very high | 33 Ų | 33 | 34.9 Ų | 34.9 | 20% | 0.202 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -78.3 | -21.5 | 175.9 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | A542 L543 I547 I576 | A542-T545 PolarHBondContact O-N 3.43Å; A542-T545 PolarHBondContact O-OG1 3Å; L543-T545 PolarHBondContact O-N 3.48Å; L543-T545 VanDerWaalsContact O-N 3.16Å; T545-I547 PolarHBondContact O-N 3.02Å; T545-I547 WeakPolarHBondContact OG1-CB 3.07Å; T545-I547 PolarHBondContact OG1-N 3.43Å; T545-I547 VanDerWaalsContact OG1-N 3.16Å; T545-I576 WeakPolarHBondContact O-CG2 3.4Å |
| 546 | G | 96.3 | Very high | 97 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 73.5 | -9.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L543 I549 L550 | L543-G546 PolarHBondContact O-N 2.65Å; G546-I549 WeakPolarHBondContact O-CB 3.49Å; G546-I549 PolarHBondContact O-N 3.07Å; G546-L550 PolarHBondContact O-N 3.3Å |
| 547 | I | 96.4 | Very high | 96.9 | Very high | 39 Ų | 39 | 33 Ų | 33 | 20% | 0.2 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | -178.1 | -65 | 172.3 | 0 | 0 | 0 | 113 | T545 I549 L550 Q551 W566 I576 | T545-I547 PolarHBondContact O-N 3.02Å; T545-I547 WeakPolarHBondContact OG1-CB 3.07Å; T545-I547 PolarHBondContact OG1-N 3.43Å; T545-I547 VanDerWaalsContact OG1-N 3.16Å; I547-I549 PolarHBondContact O-N 3.2Å; I547-L550 PolarHBondContact O-N 3.44Å; I547-Q551 HydrophobicContact CG2-CG 4.08Å; I547-Q551 WeakPolarHBondContact O-CG 3.37Å; I547-Q551 PolarHBondContact O-N 2.93Å; I547-W566 HydrophobicContact CG2-CE3 4.05Å; I547-W566 HydrophobicContact CG2-CZ3 4.13Å; I547-I576 HydrophobicContact CG1-CG2 4.24Å |
| 548 | P | 96.9 | Very high | 96.7 | Very high | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.039 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.3 | -33.1 | 179 | -26.5 | 35.5 | 0 | 0 | 0 | 113.3 | M527 L535 A542 L543 L552 | M527-P548 HydrophobicContact CE-CB 3.92Å; L535-P548 HydrophobicContact CD2-CB 4.15Å; L535-P548 HydrophobicContact CD2-CG 4.3Å; A542-P548 HydrophobicContact CB-CG 4.05Å; A542-P548 WeakPolarHBondContact O-CD 3.2Å; L543-P548 HydrophobicContact CD2-CB 4.09Å; L543-P548 HydrophobicContact CD2-CG 4.36Å; P548-L552 WeakPolarHBondContact O-CB 3.46Å; P548-L552 PolarHBondContact O-N 2.66Å |
| 549 | I | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.9 | -44.6 | 177.2 | -63 | 166.4 | 0 | 0 | 0 | 110.1 | G546 I547 L552 L553 A580 L598 L609 F610 L613 | G546-I549 WeakPolarHBondContact O-CB 3.49Å; G546-I549 PolarHBondContact O-N 3.07Å; I547-I549 PolarHBondContact O-N 3.2Å; I549-L552 PolarHBondContact O-N 2.87Å; I549-L553 WeakPolarHBondContact O-CB 3.39Å; I549-L553 PolarHBondContact O-N 3.37Å; I549-A580 HydrophobicContact CB-CB 4.42Å; I549-A580 HydrophobicContact CG2-CB 4.24Å; I549-L598 HydrophobicContact CD1-CD1 3.57Å; I549-L598 HydrophobicContact CD1-CD2 3.63Å; I549-L598 HydrophobicContact CD1-CG 4.26Å; I549-L609 HydrophobicContact CD1-CD1 3.9Å; I549-L609 HydrophobicContact CD1-CD2 4.04Å; I549-L609 HydrophobicContact CG1-CD2 3.97Å; I549-L609 HydrophobicContact CG2-CD2 4.07Å; I549-F610 HydrophobicContact CG1-CZ 4.26Å; I549-L613 HydrophobicContact CG2-CD1 4.32Å |
| 550 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 177.7 | -70 | 166.6 | 0 | 0 | 0 | 112 | G546 I547 L553 E554 T561 W566 I576 Y579 A580 C583 | G546-L550 PolarHBondContact O-N 3.3Å; I547-L550 PolarHBondContact O-N 3.44Å; L550-L553 PolarHBondContact O-N 3.3Å; L550-E554 VanDerWaalsContact O-CB 3.26Å; L550-E554 WeakPolarHBondContact O-CB 3.47Å; L550-E554 PolarHBondContact O-N 3.49Å; L550-T561 HydrophobicContact CD2-CG2 3.65Å; L550-W566 HydrophobicContact CB-CD2 4.12Å; L550-W566 HydrophobicContact CB-CG 4.37Å; L550-W566 HydrophobicContact CB-CZ2 4.44Å; L550-W566 HydrophobicContact CD1-CB 3.64Å; L550-W566 HydrophobicContact CD1-CD2 4.21Å; L550-W566 HydrophobicContact CD1-CG 3.65Å; L550-I576 HydrophobicContact CD1-CG2 3.61Å; L550-Y579 HydrophobicContact CD1-CD1 4Å; L550-Y579 HydrophobicContact CD2-CD1 3.84Å; L550-Y579 HydrophobicContact CD2-CE1 3.92Å; L550-A580 HydrophobicContact CD1-CB 4.22Å; L550-A580 HydrophobicContact CD2-CB 4.07Å; L550-A580 HydrophobicContact CG-CB 3.84Å; L550-C583 HydrophobicContact CD2-CB 4.18Å |
| 551 | Q | 97 | Very high | 96.1 | Very high | 59 Ų | 59 | 32.8 Ų | 32.8 | 28% | 0.276 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.5 | -48.6 | 175.7 | -72.1 | 177.1 | -41.8 | 0 | 0 | 111.6 | A532 I547 H555 W566 | A532-Q551 HydrophobicContact CB-CB 4.15Å; I547-Q551 HydrophobicContact CG2-CG 4.08Å; I547-Q551 WeakPolarHBondContact O-CG 3.37Å; I547-Q551 PolarHBondContact O-N 2.93Å; Q551-H555 PolarHBondContact O-N 3.17Å; Q551-H555 VanDerWaalsContact O-N 3.17Å; Q551-W566 HydrophobicContact CG-CH2 3.77Å; Q551-W566 HydrophobicContact CG-CZ3 3.69Å |
| 552 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 177.3 | -179.2 | 59.8 | 0 | 0 | 0 | 111.6 | W522 V523 Q526 M527 P548 I549 E554 H555 I556 F610 L613 | W522-L552 HydrophobicContact CZ3-CD2 4.25Å; V523-L552 HydrophobicContact CG1-CD2 4.36Å; Q526-L552 HydrophobicContact CB-CD1 3.32Å; Q526-L552 HydrophobicContact CG-CD1 4.33Å; M527-L552 HydrophobicContact SD-CB 3.86Å; P548-L552 WeakPolarHBondContact O-CB 3.46Å; P548-L552 PolarHBondContact O-N 2.66Å; I549-L552 PolarHBondContact O-N 2.87Å; L552-E554 PolarHBondContact O-N 2.94Å; L552-H555 WeakPolarHBondContact O-CB 3.29Å; L552-H555 PolarHBondContact O-N 3.42Å; L552-I556 HydrophobicContact CD1-CD1 4.01Å; L552-I556 HydrophobicContact CD1-CG1 4.25Å; L552-I556 HydrophobicContact CD2-CD1 4.35Å; L552-I556 HydrophobicContact CG-CD1 3.74Å; L552-I556 HydrophobicContact CG-CG1 4.4Å; L552-I556 VanDerWaalsContact O-CG1 3.3Å; L552-I556 WeakPolarHBondContact O-CG1 3.45Å; L552-I556 PolarHBondContact O-N 3.11Å; L552-F610 HydrophobicContact CD2-CD1 3.57Å; L552-F610 HydrophobicContact CD2-CE1 3.56Å; L552-L613 HydrophobicContact CD2-CD1 3.97Å; L552-L613 HydrophobicContact CG-CD1 4.48Å |
| 553 | L | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | -179.7 | -176.6 | 65.3 | 0 | 0 | 0 | 112.1 | I549 L550 H555 I556 K557 S560 T561 C583 A587 L613 L616 | I549-L553 WeakPolarHBondContact O-CB 3.39Å; I549-L553 PolarHBondContact O-N 3.37Å; L550-L553 PolarHBondContact O-N 3.3Å; L553-H555 VanDerWaalsContact C-N 3.27Å; L553-H555 PolarHBondContact O-N 3.37Å; L553-I556 PolarHBondContact O-N 3.13Å; L553-K557 PolarHBondContact O-N 3.4Å; L553-S560 PolarHBondContact O-OG 2.91Å; L553-T561 HydrophobicContact CD2-CG2 4.02Å; L553-T561 HydrophobicContact CG-CG2 4.38Å; L553-C583 VanDerWaalsContact CD2-C 3.5Å; L553-C583 HydrophobicContact CD2-CB 3.61Å; L553-A587 HydrophobicContact CD1-CB 3.71Å; L553-A587 HydrophobicContact CD2-CB 4.42Å; L553-A587 HydrophobicContact CG-CB 4.47Å; L553-L613 HydrophobicContact CD1-CD2 3.8Å; L553-L616 HydrophobicContact CD1-CD2 3.96Å |
| 554 | E | 96.7 | Very high | 95.5 | Very high | 23 Ų | 23 | 40.9 Ų | 40.9 | 11% | 0.107 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.7 | -32 | 175.7 | -173.9 | 61.8 | -158.4 | 0 | 0 | 112.1 | L550 L552 K557 P558 N559 T561 K563 | L550-E554 VanDerWaalsContact O-CB 3.26Å; L550-E554 WeakPolarHBondContact O-CB 3.47Å; L550-E554 PolarHBondContact O-N 3.49Å; L552-E554 PolarHBondContact O-N 2.94Å; E554-K557 CarbonylContact O-C 3.51Å; E554-P558 VanDerWaalsContact O-CA 3.26Å; E554-P558 WeakPolarHBondContact O-CA 3.49Å; E554-N559 PolarHBondContact OE1-N 2.84Å; E554-T561 PolarHBondContact OE2-N 2.76Å; E554-T561 VanDerWaalsContact OE2-N 3.14Å; E554-T561 PolarHBondContact OE2-OG1 3.23Å; E554-K563 VanDerWaalsContact CG-CE 3.5Å |
| 555 | H | 96.3 | Very high | 95.3 | Very high | 60 Ų | 60 | 41.3 Ų | 41.3 | 28% | 0.278 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70.2 | -47.2 | 171.1 | 179 | 64.9 | 0 | 0 | 0 | 112.2 | Q526 E529 A530 Q551 L552 L553 K557 | Q526-H555 PolarHBondContact O-CD2 2.97Å; Q526-H555 PolarHBondContact OE1-CD2 2.94Å; Q526-H555 PolarHBondContact OE1-NE2 3.43Å; E529-H555 WeakPolarHBondContact CB-NE2 3.13Å; E529-H555 IonicContact OE2-CE1 2.61Å; E529-H555 IonicContact OE2-NE2 3.06Å; E529-H555 PolarHBondContact OE2-NE2 3.26Å; E529-H555 VanDerWaalsContact OE2-NE2 3.1Å; A530-H555 HydrophobicContact CB-CB 3.58Å; Q551-H555 PolarHBondContact O-N 3.17Å; Q551-H555 VanDerWaalsContact O-N 3.17Å; L552-H555 WeakPolarHBondContact O-CB 3.29Å; L552-H555 PolarHBondContact O-N 3.42Å; L553-H555 VanDerWaalsContact C-N 3.27Å; L553-H555 PolarHBondContact O-N 3.37Å; H555-K557 PolarHBondContact O-N 2.95Å |
| 556 | I | 96.2 | Very high | 95.3 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 8% | 0.077 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -43 | -179.7 | -68.3 | 167.1 | 0 | 0 | 0 | 111.7 | W522 L552 L553 L613 L616 Y617 L620 | W522-I556 HydrophobicContact CH2-CD1 3.84Å; L552-I556 HydrophobicContact CD1-CD1 4.01Å; L552-I556 HydrophobicContact CD1-CG1 4.25Å; L552-I556 HydrophobicContact CD2-CD1 4.35Å; L552-I556 HydrophobicContact CG-CD1 3.74Å; L552-I556 HydrophobicContact CG-CG1 4.4Å; L552-I556 VanDerWaalsContact O-CG1 3.3Å; L552-I556 WeakPolarHBondContact O-CG1 3.45Å; L552-I556 PolarHBondContact O-N 3.11Å; L553-I556 PolarHBondContact O-N 3.13Å; I556-L613 HydrophobicContact CD1-CB 3.99Å; I556-L616 HydrophobicContact CG2-CD2 4.36Å; I556-L616 HydrophobicContact CG2-CG 4.28Å; I556-Y617 HydrophobicContact CG1-CD2 4.17Å; I556-Y617 HydrophobicContact CG2-CD2 4.29Å; I556-L620 HydrophobicContact CG2-CD1 4.04Å |
| 557 | K | 95.2 | Very high | 94.9 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 19% | 0.191 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -136.9 | 92 | -179 | -168.8 | -176.1 | -179.8 | -161.7 | 0 | 108.9 | E187 L553 E554 H555 S560 A587 L620 | E187-K557 IonicContact OE1-NZ 2.81Å; E187-K557 PolarHBondContact OE1-NZ 3.28Å; L553-K557 PolarHBondContact O-N 3.4Å; E554-K557 CarbonylContact O-C 3.51Å; H555-K557 PolarHBondContact O-N 2.95Å; K557-S560 WeakPolarHBondContact O-CB 3.18Å; K557-S560 PolarHBondContact O-N 3.34Å; K557-S560 VanDerWaalsContact O-N 3.12Å; K557-S560 PolarHBondContact O-OG 3Å; K557-A587 HydrophobicContact CD-CB 4.01Å; K557-L620 HydrophobicContact CB-CD1 3.97Å; K557-L620 HydrophobicContact CD-CD1 4.41Å; K557-L620 HydrophobicContact CG-CD1 4.19Å |
| 558 | P | 94.1 | Very high | 94.2 | Very high | 85 Ų | 85 | 44.8 Ų | 44.8 | 55% | 0.552 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 141.5 | 179.1 | -28.4 | 36 | 0 | 0 | 0 | 113 | E554 S560 | E554-P558 VanDerWaalsContact O-CA 3.26Å; E554-P558 WeakPolarHBondContact O-CA 3.49Å; P558-S560 PolarHBondContact O-N 3.48Å |
| 559 | N | 91.7 | Very high | 93.3 | Very high | 142 Ų | 142 | 52.4 Ų | 52.4 | 76% | 0.759 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 17.3 | -175.1 | -44.3 | -68.9 | 0 | 0 | 0 | 114.8 | E554 T561 | E554-N559 PolarHBondContact OE1-N 2.84Å; N559-T561 VanDerWaalsContact C-N 3.27Å |
| 560 | S | 92.8 | Very high | 92.3 | Very high | 5 Ų | 5 | 60.3 Ų | 60.3 | 4% | 0.035 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -78.6 | -15.7 | 171.9 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | L553 K557 P558 | L553-S560 PolarHBondContact O-OG 2.91Å; K557-S560 WeakPolarHBondContact O-CB 3.18Å; K557-S560 PolarHBondContact O-N 3.34Å; K557-S560 VanDerWaalsContact O-N 3.12Å; K557-S560 PolarHBondContact O-OG 3Å; P558-S560 PolarHBondContact O-N 3.48Å |
| 561 | T | 94.8 | Very high | 91.7 | Very high | 14 Ų | 14 | 63.1 Ų | 63.1 | 9% | 0.086 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -121.5 | 161.4 | 175.2 | 76.4 | 0 | 0 | 0 | 0 | 110.8 | L550 L553 E554 N559 W566 C583 | L550-T561 HydrophobicContact CD2-CG2 3.65Å; L553-T561 HydrophobicContact CD2-CG2 4.02Å; L553-T561 HydrophobicContact CG-CG2 4.38Å; E554-T561 PolarHBondContact OE2-N 2.76Å; E554-T561 VanDerWaalsContact OE2-N 3.14Å; E554-T561 PolarHBondContact OE2-OG1 3.23Å; N559-T561 VanDerWaalsContact C-N 3.27Å; T561-W566 PolarHBondContact OG1-NE1 3.32Å; T561-W566 VanDerWaalsContact OG1-NE1 3.16Å; T561-C583 HydrophobicContact CG2-CB 4.24Å |
| 562 | N | 93.6 | Very high | 91.5 | Very high | 70 Ų | 70 | 65 Ų | 65 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | trans | -104.6 | 107.8 | 167.6 | -177.5 | -8.4 | 0 | 0 | 0 | 109.2 | D564 I565 W566 Y579 | N562-D564 PolarHBondContact O-N 3.02Å; N562-D564 WeakPolarHBondContact OD1-CB 3.18Å; N562-D564 PolarHBondContact OD1-N 3.36Å; N562-I565 HydrophobicContact CB-CD1 3.91Å; N562-I565 HydrophobicContact CB-CG1 4.08Å; N562-I565 WeakPolarHBondContact O-CB 3.44Å; N562-I565 PolarHBondContact O-N 3.06Å; N562-I565 VanDerWaalsContact O-N 3.07Å; N562-W566 PolarHBondContact O-NE1 3.15Å; N562-Y579 PolarHBondContact N-OH 3.49Å | ||
| 563 | K | 93.6 | Very high | 91.3 | Very high | 101 Ų | 101 | 68.2 Ų | 68.2 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.7 | -31.1 | -179.5 | -70.6 | -178.1 | -177.2 | 175.1 | 0 | 113.3 | E554 I565 W566 L567 | E554-K563 VanDerWaalsContact CG-CE 3.5Å; K563-I565 PolarHBondContact O-N 3.38Å; K563-W566 HydrophobicContact CB-CZ2 4.49Å; K563-W566 HydrophobicContact CG-CH2 4.47Å; K563-W566 HydrophobicContact CG-CZ2 3.68Å; K563-W566 PolarHBondContact O-N 2.91Å; K563-L567 HydrophobicContact CB-CD1 3.93Å; K563-L567 HydrophobicContact CB-CG 4.44Å; K563-L567 HydrophobicContact CD-CD1 4.37Å; K563-L567 HydrophobicContact CG-CD1 4.32Å; K563-L567 VanDerWaalsContact O-CB 3.26Å; K563-L567 WeakPolarHBondContact O-CB 3.41Å; K563-L567 PolarHBondContact O-N 3.47Å |
| 564 | D | 92.2 | Very high | 91.2 | Very high | 137 Ų | 137 | 70.3 Ų | 70.3 | 73% | 0.733 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.7 | -25.6 | 179.3 | -59.9 | -27.7 | 0 | 0 | 0 | 112.2 | N562 | N562-D564 PolarHBondContact O-N 3.02Å; N562-D564 WeakPolarHBondContact OD1-CB 3.18Å; N562-D564 PolarHBondContact OD1-N 3.36Å |
| 565 | I | 92.5 | Very high | 91.1 | Very high | 34 Ų | 34 | 71 Ų | 71 | 17% | 0.174 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -74.1 | -39.6 | 178.8 | -63.3 | 179.6 | 0 | 0 | 0 | 111.3 | R171 N562 K563 I576 Y579 | R171-I565 HydrophobicContact CB-CD1 3.8Å; N562-I565 HydrophobicContact CB-CD1 3.91Å; N562-I565 HydrophobicContact CB-CG1 4.08Å; N562-I565 WeakPolarHBondContact O-CB 3.44Å; N562-I565 PolarHBondContact O-N 3.06Å; N562-I565 VanDerWaalsContact O-N 3.07Å; K563-I565 PolarHBondContact O-N 3.38Å; I565-I576 HydrophobicContact CG2-CD1 4.04Å; I565-Y579 HydrophobicContact CB-CE1 4.31Å; I565-Y579 HydrophobicContact CD1-CD2 4.34Å; I565-Y579 HydrophobicContact CD1-CE1 4.41Å; I565-Y579 HydrophobicContact CD1-CE2 3.64Å; I565-Y579 HydrophobicContact CG2-CD1 4.05Å; I565-Y579 HydrophobicContact CG2-CD2 4.41Å; I565-Y579 HydrophobicContact CG2-CE1 4.17Å; I565-Y579 HydrophobicContact CG2-CG 4.18Å |
| 566 | W | 93.3 | Very high | 91.1 | Very high | 11 Ų | 11 | 68.3 Ų | 68.3 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -115.5 | -1.3 | -168.9 | 62.4 | -95.5 | 0 | 0 | 0 | 114.9 | I547 L550 Q551 T561 N562 K563 I571 I576 | I547-W566 HydrophobicContact CG2-CE3 4.05Å; I547-W566 HydrophobicContact CG2-CZ3 4.13Å; L550-W566 HydrophobicContact CB-CD2 4.12Å; L550-W566 HydrophobicContact CB-CG 4.37Å; L550-W566 HydrophobicContact CB-CZ2 4.44Å; L550-W566 HydrophobicContact CD1-CB 3.64Å; L550-W566 HydrophobicContact CD1-CD2 4.21Å; L550-W566 HydrophobicContact CD1-CG 3.65Å; Q551-W566 HydrophobicContact CG-CH2 3.77Å; Q551-W566 HydrophobicContact CG-CZ3 3.69Å; T561-W566 PolarHBondContact OG1-NE1 3.32Å; T561-W566 VanDerWaalsContact OG1-NE1 3.16Å; N562-W566 PolarHBondContact O-NE1 3.15Å; K563-W566 HydrophobicContact CB-CZ2 4.49Å; K563-W566 HydrophobicContact CG-CH2 4.47Å; K563-W566 HydrophobicContact CG-CZ2 3.68Å; K563-W566 PolarHBondContact O-N 2.91Å; W566-I571 WeakPolarHBondContact O-CD1 3.46Å; W566-I576 HydrophobicContact CB-CD1 4.02Å; W566-I576 HydrophobicContact CB-CG2 4.45Å |
| 567 | L | 89.8 | Confident | 91.2 | Very high | 104 Ų | 104 | 68.5 Ų | 68.5 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -108.2 | 3 | 166.5 | -63 | -179.8 | 0 | 0 | 0 | 112.8 | K563 | K563-L567 HydrophobicContact CB-CD1 3.93Å; K563-L567 HydrophobicContact CB-CG 4.44Å; K563-L567 HydrophobicContact CD-CD1 4.37Å; K563-L567 HydrophobicContact CG-CD1 4.32Å; K563-L567 VanDerWaalsContact O-CB 3.26Å; K563-L567 WeakPolarHBondContact O-CB 3.41Å; K563-L567 PolarHBondContact O-N 3.47Å |
| 568 | G | 81.8 | Confident | 91.2 | Very high | 31 Ų | 31 | 67.9 Ų | 67.9 | 32% | 0.32 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -66.9 | 168.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I571 | G568-I571 WeakPolarHBondContact O-CD1 3.41Å; G568-I571 VanDerWaalsContact O-CG1 3.29Å; G568-I571 WeakPolarHBondContact O-CG1 3.32Å |
| 569 | N | 76.3 | Confident | 91.4 | Very high | 166 Ų | 166 | 64.1 Ų | 64.1 | 89% | 0.888 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -78.4 | -23.2 | -176.5 | -65.9 | -27.6 | 0 | 0 | 0 | 114.1 | ||
| 570 | N | 78.2 | Confident | 91.7 | Very high | 165 Ų | 165 | 57.4 Ų | 57.4 | 88% | 0.882 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -117.1 | 71.5 | -176.8 | -72.8 | -12.2 | 0 | 0 | 0 | 110.2 | ||
| 571 | I | 84.5 | Confident | 92 | Very high | 59 Ų | 59 | 57.4 Ų | 57.4 | 30% | 0.303 | 31% | 0.314 | S | S | . | . | trans | -89.2 | 122.3 | -179.7 | -68.4 | 165.8 | 0 | 0 | 0 | 109.4 | W566 G568 I576 | W566-I571 WeakPolarHBondContact O-CD1 3.46Å; G568-I571 WeakPolarHBondContact O-CD1 3.41Å; G568-I571 VanDerWaalsContact O-CG1 3.29Å; G568-I571 WeakPolarHBondContact O-CG1 3.32Å; I571-I576 HydrophobicContact CG2-CB 4.49Å; I571-I576 HydrophobicContact CG2-CD1 4.29Å; I571-I576 HydrophobicContact CG2-CG1 3.41Å; I571-I576 VanDerWaalsContact CG2-CG1 3.41Å | ||
| 572 | D | 92.6 | Very high | 92.1 | Very high | 99 Ų | 99 | 56.8 Ų | 56.8 | 53% | 0.529 | 31% | 0.31 | S | S | . | . | trans | -96.2 | 116.9 | 165.1 | 169.6 | 51.3 | 0 | 0 | 0 | 109.1 | A574 S575 I576 | D572-A574 VanDerWaalsContact C-N 3.27Å; D572-A574 PolarHBondContact O-N 2.98Å; D572-S575 WeakPolarHBondContact O-CB 3.09Å; D572-S575 PolarHBondContact O-N 3.26Å; D572-S575 VanDerWaalsContact O-N 3.14Å; D572-S575 WeakPolarHBondContact OD2-CB 3.18Å; D572-S575 PolarHBondContact OD2-N 3.26Å; D572-I576 WeakPolarHBondContact O-CG1 3.34Å; D572-I576 PolarHBondContact O-N 3.05Å | ||
| 573 | D | 93.8 | Very high | 92.4 | Very high | 67 Ų | 67 | 53.4 Ų | 53.4 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.9 | -37.1 | -174.5 | -73 | -24 | 0 | 0 | 0 | 112 | I576 R577 | D573-I576 PolarHBondContact O-N 2.86Å; D573-R577 WeakPolarHBondContact O-CG 3.18Å; D573-R577 PolarHBondContact O-N 3.09Å |
| 574 | A | 94.9 | Very high | 92.6 | Very high | 45 Ų | 45 | 48.6 Ų | 48.6 | 37% | 0.372 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D572 I576 R577 Q578 | D572-A574 VanDerWaalsContact C-N 3.27Å; D572-A574 PolarHBondContact O-N 2.98Å; A574-I576 VanDerWaalsContact C-N 3.33Å; A574-I576 PolarHBondContact O-N 3.39Å; A574-R577 PolarHBondContact O-N 3.49Å; A574-Q578 PolarHBondContact O-N 3.16Å |
| 575 | S | 94.7 | Very high | 92.9 | Very high | 38 Ų | 38 | 42.2 Ų | 42.2 | 27% | 0.266 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.9 | -40.5 | 172.7 | -166.6 | 0 | 0 | 0 | 0 | 112.8 | R171 D572 Q578 Y579 | R171-S575 PolarHBondContact NH1-OG 2.9Å; R171-S575 PolarHBondContact NH2-O 3.36Å; R171-S575 PolarHBondContact NH2-OG 2.93Å; D572-S575 WeakPolarHBondContact O-CB 3.09Å; D572-S575 PolarHBondContact O-N 3.26Å; D572-S575 VanDerWaalsContact O-N 3.14Å; D572-S575 WeakPolarHBondContact OD2-CB 3.18Å; D572-S575 PolarHBondContact OD2-N 3.26Å; S575-Q578 PolarHBondContact O-N 3.08Å; S575-Y579 WeakPolarHBondContact O-CB 3.36Å; S575-Y579 PolarHBondContact O-N 3.04Å |
| 576 | I | 96.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.8 | -38.1 | 179.6 | -64.6 | -50.4 | 0 | 0 | 0 | 112.5 | T545 I547 L550 I565 W566 I571 D572 D573 A574 Q578 Y579 A580 | T545-I576 WeakPolarHBondContact O-CG2 3.4Å; I547-I576 HydrophobicContact CG1-CG2 4.24Å; L550-I576 HydrophobicContact CD1-CG2 3.61Å; I565-I576 HydrophobicContact CG2-CD1 4.04Å; W566-I576 HydrophobicContact CB-CD1 4.02Å; W566-I576 HydrophobicContact CB-CG2 4.45Å; I571-I576 HydrophobicContact CG2-CB 4.49Å; I571-I576 HydrophobicContact CG2-CD1 4.29Å; I571-I576 HydrophobicContact CG2-CG1 3.41Å; I571-I576 VanDerWaalsContact CG2-CG1 3.41Å; D572-I576 WeakPolarHBondContact O-CG1 3.34Å; D572-I576 PolarHBondContact O-N 3.05Å; D573-I576 PolarHBondContact O-N 2.86Å; A574-I576 VanDerWaalsContact C-N 3.33Å; A574-I576 PolarHBondContact O-N 3.39Å; I576-Q578 VanDerWaalsContact C-N 3.28Å; I576-Q578 PolarHBondContact O-N 3.29Å; I576-Y579 PolarHBondContact O-N 3.4Å; I576-A580 WeakPolarHBondContact O-CB 3.33Å; I576-A580 PolarHBondContact O-N 3.39Å |
| 577 | R | 97.3 | Very high | 93.4 | Very high | 19 Ų | 19 | 41.4 Ų | 41.4 | 7% | 0.072 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.3 | -46.6 | 172.6 | -71.7 | -171.1 | -67.6 | -86.6 | 12.4 | 110.7 | A544 D573 A574 Y579 A580 I581 P595 L598 E599 | A544-R577 VanDerWaalsContact O-CD 3.29Å; A544-R577 WeakPolarHBondContact O-CD 3.47Å; A544-R577 WeakPolarHBondContact O-CG 3.22Å; A544-R577 PolarHBondContact O-NH1 3.24Å; D573-R577 WeakPolarHBondContact O-CG 3.18Å; D573-R577 PolarHBondContact O-N 3.09Å; A574-R577 PolarHBondContact O-N 3.49Å; R577-Y579 PolarHBondContact O-N 3.42Å; R577-A580 PolarHBondContact O-N 3.16Å; R577-I581 WeakPolarHBondContact O-CG1 3.39Å; R577-I581 PolarHBondContact O-N 2.86Å; R577-I581 VanDerWaalsContact O-N 3.14Å; R577-P595 HydrophobicContact CB-CB 3.91Å; R577-P595 VanDerWaalsContact CD-O 3.32Å; R577-P595 WeakPolarHBondContact CD-O 3.39Å; R577-L598 HydrophobicContact CB-CD1 4.19Å; R577-L598 HydrophobicContact CG-CB 4.12Å; R577-L598 HydrophobicContact CG-CD1 4.09Å; R577-E599 IonicContact CZ-OE2 3.92Å; R577-E599 IonicContact NE-OE2 2.7Å; R577-E599 VanDerWaalsContact NH2-CD 3.32Å; R577-E599 IonicContact NH2-OE1 3.68Å; R577-E599 IonicContact NH2-OE2 3.77Å; R577-E599 PolarHBondContact NH2-OE2 3.32Å |
| 578 | Q | 96.9 | Very high | 93.7 | Very high | 32 Ų | 32 | 37.9 Ų | 37.9 | 15% | 0.15 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 177.4 | -173 | 52.3 | 53.1 | 0 | 0 | 112.4 | N166 T167 D169 A574 S575 I576 S582 P595 | N166-Q578 PolarHBondContact O-NE2 3.41Å; N166-Q578 PolarHBondContact O-OE1 3.35Å; T167-Q578 VanDerWaalsContact C-NE2 3.35Å; T167-Q578 PolarHBondContact O-NE2 3.01Å; D169-Q578 HydrophobicContact CB-CG 4.16Å; A574-Q578 PolarHBondContact O-N 3.16Å; S575-Q578 PolarHBondContact O-N 3.08Å; I576-Q578 VanDerWaalsContact C-N 3.28Å; I576-Q578 PolarHBondContact O-N 3.29Å; Q578-S582 WeakPolarHBondContact O-CB 3.25Å; Q578-S582 PolarHBondContact O-N 2.72Å; Q578-S582 VanDerWaalsContact O-N 3.15Å; Q578-S582 PolarHBondContact O-OG 3.38Å; Q578-P595 HydrophobicContact CB-CG 4.46Å |
| 579 | Y | 97.7 | Very high | 94.4 | Very high | 6 Ų | 6 | 36.5 Ų | 36.5 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -43.9 | 175 | -175.9 | -110 | 0 | 0 | 0 | 112.3 | D169 R171 L550 N562 I565 S575 I576 R577 I581 S582 C583 | D169-Y579 HydrophobicContact CB-CD2 4.31Å; R171-Y579 HydrophobicContact CB-CD2 4.33Å; R171-Y579 HydrophobicContact CB-CE2 4.21Å; L550-Y579 HydrophobicContact CD1-CD1 4Å; L550-Y579 HydrophobicContact CD2-CD1 3.84Å; L550-Y579 HydrophobicContact CD2-CE1 3.92Å; N562-Y579 PolarHBondContact N-OH 3.49Å; I565-Y579 HydrophobicContact CB-CE1 4.31Å; I565-Y579 HydrophobicContact CD1-CD2 4.34Å; I565-Y579 HydrophobicContact CD1-CE1 4.41Å; I565-Y579 HydrophobicContact CD1-CE2 3.64Å; I565-Y579 HydrophobicContact CG2-CD1 4.05Å; I565-Y579 HydrophobicContact CG2-CD2 4.41Å; I565-Y579 HydrophobicContact CG2-CE1 4.17Å; I565-Y579 HydrophobicContact CG2-CG 4.18Å; S575-Y579 WeakPolarHBondContact O-CB 3.36Å; S575-Y579 PolarHBondContact O-N 3.04Å; I576-Y579 PolarHBondContact O-N 3.4Å; R577-Y579 PolarHBondContact O-N 3.42Å; Y579-I581 PolarHBondContact O-N 3.4Å; Y579-S582 PolarHBondContact O-N 3.18Å; Y579-C583 WeakPolarHBondContact O-CB 3.33Å; Y579-C583 PolarHBondContact O-N 3.05Å |
| 580 | A | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I549 L550 I576 R577 S582 C583 C584 | I549-A580 HydrophobicContact CB-CB 4.42Å; I549-A580 HydrophobicContact CG2-CB 4.24Å; L550-A580 HydrophobicContact CD1-CB 4.22Å; L550-A580 HydrophobicContact CD2-CB 4.07Å; L550-A580 HydrophobicContact CG-CB 3.84Å; I576-A580 WeakPolarHBondContact O-CB 3.33Å; I576-A580 PolarHBondContact O-N 3.39Å; R577-A580 PolarHBondContact O-N 3.16Å; A580-S582 VanDerWaalsContact C-N 3.34Å; A580-S582 PolarHBondContact O-N 2.94Å; A580-C583 PolarHBondContact O-N 3.18Å; A580-C584 PolarHBondContact O-N 3.33Å; A580-C584 PolarHBondContact O-SG 2.72Å |
| 581 | I | 98.2 | Very high | 96 | Very high | 6 Ų | 6 | 27.3 Ų | 27.3 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 176 | -62.3 | -52.5 | 0 | 0 | 0 | 110.9 | R577 Y579 C583 C584 H585 V591 T593 L598 L609 | R577-I581 WeakPolarHBondContact O-CG1 3.39Å; R577-I581 PolarHBondContact O-N 2.86Å; R577-I581 VanDerWaalsContact O-N 3.14Å; Y579-I581 PolarHBondContact O-N 3.4Å; I581-C583 PolarHBondContact O-N 2.7Å; I581-C584 WeakPolarHBondContact O-CB 2.97Å; I581-C584 PolarHBondContact O-N 3.38Å; I581-H585 PolarHBondContact O-N 2.9Å; I581-V591 HydrophobicContact CG2-CG2 4.15Å; I581-T593 VanDerWaalsContact CD1-O 3.23Å; I581-T593 WeakPolarHBondContact CD1-O 3.3Å; I581-L598 HydrophobicContact CD1-CD1 4.21Å; I581-L609 HydrophobicContact CD1-CD1 3.64Å |
| 582 | S | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 178.7 | -53.9 | 0 | 0 | 0 | 0 | 112 | D169 L191 Q578 Y579 A580 H585 K586 | D169-S582 WeakPolarHBondContact CB-OG 3.43Å; D169-S582 PolarHBondContact N-OG 3.2Å; L191-S582 WeakPolarHBondContact CD1-O 3.25Å; Q578-S582 WeakPolarHBondContact O-CB 3.25Å; Q578-S582 PolarHBondContact O-N 2.72Å; Q578-S582 VanDerWaalsContact O-N 3.15Å; Q578-S582 PolarHBondContact O-OG 3.38Å; Y579-S582 PolarHBondContact O-N 3.18Å; A580-S582 VanDerWaalsContact C-N 3.34Å; A580-S582 PolarHBondContact O-N 2.94Å; S582-H585 PolarHBondContact O-N 3.3Å; S582-K586 WeakPolarHBondContact O-CB 3.2Å; S582-K586 PolarHBondContact O-N 3.12Å |
| 583 | C | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.9 | -38.7 | 174.1 | -81.7 | 0 | 0 | 0 | 0 | 112.4 | L550 L553 T561 Y579 A580 I581 K586 A587 | L550-C583 HydrophobicContact CD2-CB 4.18Å; L553-C583 VanDerWaalsContact CD2-C 3.5Å; L553-C583 HydrophobicContact CD2-CB 3.61Å; T561-C583 HydrophobicContact CG2-CB 4.24Å; Y579-C583 WeakPolarHBondContact O-CB 3.33Å; Y579-C583 PolarHBondContact O-N 3.05Å; A580-C583 PolarHBondContact O-N 3.18Å; I581-C583 PolarHBondContact O-N 2.7Å; C583-K586 PolarHBondContact O-N 3.03Å; C583-A587 VanDerWaalsContact O-CB 3.29Å; C583-A587 WeakPolarHBondContact O-CB 3.2Å; C583-A587 PolarHBondContact O-N 3Å |
| 584 | C | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.1 | -48.6 | 173.4 | -67.4 | 0 | 0 | 0 | 0 | 111.1 | A580 I581 K586 A587 G588 A589 V591 | A580-C584 PolarHBondContact O-N 3.33Å; A580-C584 PolarHBondContact O-SG 2.72Å; I581-C584 WeakPolarHBondContact O-CB 2.97Å; I581-C584 PolarHBondContact O-N 3.38Å; C584-K586 PolarHBondContact O-N 2.63Å; C584-A587 PolarHBondContact O-N 3.1Å; C584-G588 PolarHBondContact O-N 3.45Å; C584-A589 HydrophobicContact CB-CB 4.27Å; C584-A589 WeakPolarHBondContact O-CB 3.35Å; C584-A589 PolarHBondContact O-N 3.13Å; C584-V591 HydrophobicContact CB-CG1 4.23Å; C584-V591 HydrophobicContact CB-CG2 3.97Å |
| 585 | H | 98.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.009 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.3 | -48.9 | 175.8 | -70.9 | 165.4 | 0 | 0 | 0 | 112.2 | L191 N194 S195 I581 S582 A587 G588 V591 | L191-H585 HydrophobicContact CD1-CB 3.81Å; N194-H585 HydrophobicContact CB-CB 3.83Å; N194-H585 PolarHBondContact ND2-O 2.95Å; S195-H585 PolarHBondContact OG-ND1 3.5Å; I581-H585 PolarHBondContact O-N 2.9Å; S582-H585 PolarHBondContact O-N 3.3Å; H585-A587 VanDerWaalsContact C-N 3.3Å; H585-A587 PolarHBondContact O-N 3.39Å; H585-G588 PolarHBondContact O-N 3.45Å; H585-G588 VanDerWaalsContact O-N 3.1Å; H585-V591 VanDerWaalsContact CD2-CG2 3.41Å; H585-V591 WeakPolarHBondContact CD2-CG2 3.4Å; H585-V591 VanDerWaalsContact NE2-CG2 3.27Å; H585-V591 WeakPolarHBondContact NE2-CG2 3.31Å; H585-V591 PolarHBondContact NE2-O 3.12Å |
| 586 | K | 98.3 | Very high | 96.9 | Very high | 20 Ų | 20 | 19.1 Ų | 19.1 | 9% | 0.087 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.5 | -39.8 | 178.6 | -175.8 | -175.4 | -178.7 | 178.9 | 0 | 112.5 | S172 N174 E187 L191 S582 C583 C584 G588 | S172-K586 VanDerWaalsContact O-CD 3.24Å; S172-K586 WeakPolarHBondContact O-CD 3.35Å; S172-K586 VanDerWaalsContact O-CE 3.29Å; S172-K586 WeakPolarHBondContact O-CE 3.1Å; S172-K586 PolarHBondContact O-NZ 3.23Å; N174-K586 VanDerWaalsContact CG-NZ 3.35Å; N174-K586 VanDerWaalsContact ND2-CE 3.27Å; N174-K586 WeakPolarHBondContact ND2-CE 3.3Å; N174-K586 PolarHBondContact ND2-NZ 2.88Å; N174-K586 PolarHBondContact OD1-NZ 2.87Å; E187-K586 HydrophobicContact CB-CG 3.91Å; E187-K586 HydrophobicContact CG-CG 4.46Å; E187-K586 WeakPolarHBondContact OE2-CE 3.46Å; E187-K586 IonicContact OE2-NZ 3.19Å; L191-K586 HydrophobicContact CB-CB 4.07Å; L191-K586 HydrophobicContact CB-CG 4.44Å; L191-K586 HydrophobicContact CD1-CB 4.32Å; S582-K586 WeakPolarHBondContact O-CB 3.2Å; S582-K586 PolarHBondContact O-N 3.12Å; C583-K586 PolarHBondContact O-N 3.03Å; C584-K586 PolarHBondContact O-N 2.63Å; K586-G588 PolarHBondContact O-N 3.05Å |
| 587 | A | 97.6 | Very high | 96.9 | Very high | 8 Ų | 8 | 19 Ų | 19 | 7% | 0.066 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.5 | -21.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L553 K557 C583 C584 H585 L616 | L553-A587 HydrophobicContact CD1-CB 3.71Å; L553-A587 HydrophobicContact CD2-CB 4.42Å; L553-A587 HydrophobicContact CG-CB 4.47Å; K557-A587 HydrophobicContact CD-CB 4.01Å; C583-A587 VanDerWaalsContact O-CB 3.29Å; C583-A587 WeakPolarHBondContact O-CB 3.2Å; C583-A587 PolarHBondContact O-N 3Å; C584-A587 PolarHBondContact O-N 3.1Å; H585-A587 VanDerWaalsContact C-N 3.3Å; H585-A587 PolarHBondContact O-N 3.39Å; A587-L616 HydrophobicContact CB-CD2 3.76Å; A587-L616 WeakPolarHBondContact O-CD1 3.42Å |
| 588 | G | 95.9 | Very high | 96.9 | Very high | 31 Ų | 31 | 18.1 Ų | 18.1 | 32% | 0.32 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 113.7 | 2.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | C584 H585 K586 | C584-G588 PolarHBondContact O-N 3.45Å; H585-G588 PolarHBondContact O-N 3.45Å; H585-G588 VanDerWaalsContact O-N 3.1Å; K586-G588 PolarHBondContact O-N 3.05Å |
| 589 | A | 96.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 2% | 0.017 | 11% | 0.108 | C | C | . | . | trans | -74.9 | 128.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | C584 V591 L613 L616 | C584-A589 HydrophobicContact CB-CB 4.27Å; C584-A589 WeakPolarHBondContact O-CB 3.35Å; C584-A589 PolarHBondContact O-N 3.13Å; A589-V591 HydrophobicContact CB-CG1 4.15Å; A589-V591 PolarHBondContact O-N 3.37Å; A589-L613 HydrophobicContact CB-CD2 4.05Å; A589-L616 HydrophobicContact CB-CB 4.36Å; A589-L616 HydrophobicContact CB-CD2 4.17Å | ||
| 590 | R | 92.7 | Very high | 96.8 | Very high | 135 Ų | 135 | 26.9 Ų | 26.9 | 51% | 0.509 | 14% | 0.136 | S | C | . | . | trans | -88.3 | 78.6 | 177.6 | -71.3 | -174.8 | 174.7 | 179.5 | -0.1 | 110.5 | S612 | R590-S612 PolarHBondContact O-OG 2.95Š| ||
| 591 | V | 95.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | trans | -94.2 | 142.7 | -180 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | I581 C584 H585 A589 L609 | I581-V591 HydrophobicContact CG2-CG2 4.15Å; C584-V591 HydrophobicContact CB-CG1 4.23Å; C584-V591 HydrophobicContact CB-CG2 3.97Å; H585-V591 VanDerWaalsContact CD2-CG2 3.41Å; H585-V591 WeakPolarHBondContact CD2-CG2 3.4Å; H585-V591 VanDerWaalsContact NE2-CG2 3.27Å; H585-V591 WeakPolarHBondContact NE2-CG2 3.31Å; H585-V591 PolarHBondContact NE2-O 3.12Å; A589-V591 HydrophobicContact CB-CG1 4.15Å; A589-V591 PolarHBondContact O-N 3.37Å; V591-L609 HydrophobicContact CG1-CG 4.12Å | ||
| 592 | F | 96.6 | Very high | 96.7 | Very high | 17 Ų | 17 | 29.9 Ų | 29.9 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | trans | -114.4 | -0.2 | 171.9 | -70.1 | -94.9 | 0 | 0 | 0 | 112 | A197 T395 N398 W399 S402 M494 L594 | A197-F592 HydrophobicContact CB-CZ 4.43Å; A197-F592 WeakPolarHBondContact O-CE1 3.31Å; T395-F592 HydrophobicContact CG2-CB 3.99Å; N398-F592 HydrophobicContact CB-CD1 4.44Å; W399-F592 HydrophobicContact CB-CD1 3.87Å; W399-F592 HydrophobicContact CB-CD2 4.33Å; W399-F592 HydrophobicContact CB-CE1 4Å; W399-F592 HydrophobicContact CB-CE2 4.45Å; W399-F592 HydrophobicContact CB-CG 4.06Å; W399-F592 HydrophobicContact CB-CZ 4.3Å; W399-F592 AromaticContact CD1-CD2 3.99Å; W399-F592 AromaticContact CD1-CE2 3.69Å; W399-F592 HydrophobicContact CG-CE2 4.48Å; S402-F592 VanDerWaalsContact OG-CZ 3.24Å; S402-F592 WeakPolarHBondContact OG-CZ 3.49Å; M494-F592 HydrophobicContact CE-CB 3.75Å; M494-F592 HydrophobicContact CE-CD2 3.93Å; M494-F592 HydrophobicContact CE-CG 3.99Å; F592-L594 PolarHBondContact O-N 2.76Å | ||
| 593 | T | 95.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | trans | -66 | 115.9 | 173.8 | -49.1 | 0 | 0 | 0 | 0 | 109.1 | I581 H597 L598 M605 L609 | I581-T593 VanDerWaalsContact CD1-O 3.23Å; I581-T593 WeakPolarHBondContact CD1-O 3.3Å; T593-H597 HydrophobicContact CG2-CB 3.78Å; T593-L598 HydrophobicContact CG2-CD2 4.08Å; T593-L598 HydrophobicContact CG2-CG 4.42Å; T593-M605 HydrophobicContact CG2-CB 4.11Å; T593-M605 PolarHBondContact OG1-O 3.31Å; T593-L609 HydrophobicContact CG2-CD1 4.07Å | ||
| 594 | L | 95.1 | Very high | 96.4 | Very high | 24 Ų | 24 | 34 Ų | 34 | 13% | 0.126 | 17% | 0.172 | C | C | . | . | trans | -82.4 | 156.8 | 172.5 | -50.7 | 177 | 0 | 0 | 0 | 111.7 | L391 F592 E596 H597 | L391-L594 HydrophobicContact CD1-CB 4.48Å; L391-L594 HydrophobicContact CD1-CD1 3.68Å; F592-L594 PolarHBondContact O-N 2.76Å; L594-E596 WeakPolarHBondContact CB-OE2 3.44Å; L594-E596 PolarHBondContact O-N 3.45Å; L594-H597 PolarHBondContact N-ND1 3.41Å; L594-H597 WeakPolarHBondContact O-CB 3.33Å; L594-H597 PolarHBondContact O-N 3.5Å; L594-H597 PolarHBondContact O-ND1 2.86Å | ||
| 595 | P | 96 | Very high | 96.2 | Very high | 19 Ų | 19 | 34 Ų | 34 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -51.6 | -37.1 | 177.5 | -24.9 | 31.5 | 0 | 0 | 0 | 113.8 | R577 Q578 H597 L598 E599 | R577-P595 HydrophobicContact CB-CB 3.91Å; R577-P595 VanDerWaalsContact CD-O 3.32Å; R577-P595 WeakPolarHBondContact CD-O 3.39Å; Q578-P595 HydrophobicContact CB-CG 4.46Å; P595-H597 PolarHBondContact O-N 2.96Å; P595-L598 WeakPolarHBondContact O-CB 3.39Å; P595-L598 PolarHBondContact O-N 3.44Å; P595-E599 PolarHBondContact O-N 2.74Å; P595-E599 VanDerWaalsContact O-N 3.12Å |
| 596 | E | 95.9 | Very high | 96.1 | Very high | 75 Ų | 75 | 34 Ų | 34 | 35% | 0.35 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.6 | -29.5 | -179.4 | -53.8 | 94.6 | 140.3 | 0 | 0 | 111.7 | L391 R394 L594 L598 E599 D600 | L391-E596 HydrophobicContact CD1-CB 4.13Å; L391-E596 HydrophobicContact CD2-CB 3.7Å; R394-E596 IonicContact NH2-OE1 2.73Å; R394-E596 PolarHBondContact NH2-OE1 2.99Å; R394-E596 VanDerWaalsContact NH2-OE1 3.15Å; R394-E596 IonicContact NH2-OE2 3.71Å; L594-E596 WeakPolarHBondContact CB-OE2 3.44Å; L594-E596 PolarHBondContact O-N 3.45Å; E596-L598 VanDerWaalsContact C-N 3.32Å; E596-L598 PolarHBondContact O-N 2.64Å; E596-E599 WeakPolarHBondContact O-CB 3.4Å; E596-E599 PolarHBondContact O-N 3.29Å; E596-D600 WeakPolarHBondContact O-CB 3.38Å; E596-D600 VanDerWaalsContact O-CG 3.31Å; E596-D600 PolarHBondContact O-N 3.25Å |
| 597 | H | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.8 | -31.4 | 173.9 | -62.4 | 108.5 | 0 | 0 | 0 | 113.3 | L391 T395 T593 L594 P595 L601 N602 M605 | L391-H597 WeakPolarHBondContact CD2-CD2 3.37Å; L391-H597 WeakPolarHBondContact CD2-NE2 3.36Å; L391-H597 VanDerWaalsContact CG-NE2 3.31Å; L391-H597 WeakPolarHBondContact CG-NE2 3.46Å; T395-H597 PolarHBondContact OG1-CE1 2.97Å; T593-H597 HydrophobicContact CG2-CB 3.78Å; L594-H597 PolarHBondContact N-ND1 3.41Å; L594-H597 WeakPolarHBondContact O-CB 3.33Å; L594-H597 PolarHBondContact O-N 3.5Å; L594-H597 PolarHBondContact O-ND1 2.86Å; P595-H597 PolarHBondContact O-N 2.96Å; H597-L601 PolarHBondContact O-N 2.54Å; H597-L601 VanDerWaalsContact O-N 3.15Å; H597-N602 HydrophobicContact CB-CB 4.12Å; H597-N602 PolarHBondContact O-N 3.22Å; H597-M605 HydrophobicContact CB-CB 3.99Å; H597-M605 VanDerWaalsContact CD2-CG 3.46Å; H597-M605 WeakPolarHBondContact CD2-CG 3.41Å |
| 598 | L | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -73.5 | -39.2 | 176.4 | -58.4 | -179.4 | 0 | 0 | 0 | 109.7 | A544 I549 R577 I581 T593 P595 E596 L601 I606 L609 | A544-L598 WeakPolarHBondContact CA-O 3.35Å; I549-L598 HydrophobicContact CD1-CD1 3.57Å; I549-L598 HydrophobicContact CD1-CD2 3.63Å; I549-L598 HydrophobicContact CD1-CG 4.26Å; R577-L598 HydrophobicContact CB-CD1 4.19Å; R577-L598 HydrophobicContact CG-CB 4.12Å; R577-L598 HydrophobicContact CG-CD1 4.09Å; I581-L598 HydrophobicContact CD1-CD1 4.21Å; T593-L598 HydrophobicContact CG2-CD2 4.08Å; T593-L598 HydrophobicContact CG2-CG 4.42Å; P595-L598 WeakPolarHBondContact O-CB 3.39Å; P595-L598 PolarHBondContact O-N 3.44Å; E596-L598 VanDerWaalsContact C-N 3.32Å; E596-L598 PolarHBondContact O-N 2.64Å; L598-L601 PolarHBondContact O-N 3.14Å; L598-I606 HydrophobicContact CD2-CD1 4.33Å; L598-I606 HydrophobicContact CD2-CG1 3.81Å; L598-L609 HydrophobicContact CD2-CD1 4.49Å |
| 599 | E | 97.1 | Very high | 95.9 | Very high | 109 Ų | 109 | 31.5 Ų | 31.5 | 51% | 0.509 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.6 | -48.6 | 172.7 | -174.7 | 168.9 | 176.2 | 0 | 0 | 112 | R577 P595 E596 L601 | R577-E599 IonicContact CZ-OE2 3.92Å; R577-E599 IonicContact NE-OE2 2.7Å; R577-E599 VanDerWaalsContact NH2-CD 3.32Å; R577-E599 IonicContact NH2-OE1 3.68Å; R577-E599 IonicContact NH2-OE2 3.77Å; R577-E599 PolarHBondContact NH2-OE2 3.32Å; P595-E599 PolarHBondContact O-N 2.74Å; P595-E599 VanDerWaalsContact O-N 3.12Å; E596-E599 WeakPolarHBondContact O-CB 3.4Å; E596-E599 PolarHBondContact O-N 3.29Å; E599-L601 PolarHBondContact O-N 3.07Å |
| 600 | D | 96.7 | Very high | 96 | Very high | 114 Ų | 114 | 31.4 Ų | 31.4 | 61% | 0.61 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -2.3 | 179.6 | -67.8 | -19.9 | 0 | 0 | 0 | 113.7 | E596 N602 | E596-D600 WeakPolarHBondContact O-CB 3.38Å; E596-D600 VanDerWaalsContact O-CG 3.31Å; E596-D600 PolarHBondContact O-N 3.25Å; D600-N602 PolarHBondContact O-N 2.64Å |
| 601 | L | 97.4 | Very high | 96.1 | Very high | 40 Ų | 40 | 25 Ų | 25 | 21% | 0.209 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 44.9 | -172.8 | -62.5 | 171.7 | 0 | 0 | 0 | 112.2 | D540 L543 A544 H597 L598 E599 G603 I606 | D540-L601 WeakPolarHBondContact O-CD2 3.28Å; L543-L601 HydrophobicContact CB-CD2 3.88Å; A544-L601 HydrophobicContact CB-CD2 4.18Å; H597-L601 PolarHBondContact O-N 2.54Å; H597-L601 VanDerWaalsContact O-N 3.15Å; L598-L601 PolarHBondContact O-N 3.14Å; E599-L601 PolarHBondContact O-N 3.07Å; L601-G603 PolarHBondContact O-N 3.4Å; L601-I606 HydrophobicContact CD2-CD1 4.49Å |
| 602 | N | 96.1 | Very high | 96.1 | Very high | 29 Ų | 29 | 25.3 Ų | 25.3 | 16% | 0.155 | 13% | 0.128 | C | C | . | . | trans | -68.9 | 93.2 | 178.4 | -172.6 | -41.1 | 0 | 0 | 0 | 110 | E392 H597 D600 K604 M605 I606 | E392-N602 PolarHBondContact OE1-ND2 3.45Å; H597-N602 HydrophobicContact CB-CB 4.12Å; H597-N602 PolarHBondContact O-N 3.22Å; D600-N602 PolarHBondContact O-N 2.64Å; N602-K604 PolarHBondContact O-N 2.88Å; N602-K604 VanDerWaalsContact O-N 3.09Å; N602-K604 WeakPolarHBondContact OD1-CB 3.32Å; N602-K604 PolarHBondContact OD1-N 2.93Å; N602-M605 HydrophobicContact CB-CB 4.43Å; N602-M605 PolarHBondContact O-N 3Å; N602-M605 PolarHBondContact OD1-N 3.29Å; N602-I606 WeakPolarHBondContact O-CG1 3.42Å; N602-I606 PolarHBondContact O-N 2.95Å | ||
| 603 | G | 95.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 7% | 0.072 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.6 | -28.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | F538 L601 L607 | F538-G603 WeakPolarHBondContact O-CA 3.29Å; L601-G603 PolarHBondContact O-N 3.4Å; G603-L607 VanDerWaalsContact O-CB 3.26Å; G603-L607 WeakPolarHBondContact O-CB 3.29Å; G603-L607 PolarHBondContact O-N 3.01Å |
| 604 | K | 93.6 | Very high | 96.1 | Very high | 80 Ų | 80 | 24.7 Ų | 24.7 | 35% | 0.348 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -67.4 | -49.1 | 175.7 | -73.1 | -177.8 | 178.6 | 178.6 | 0 | 111 | F491 N602 L607 T608 | F491-K604 HydrophobicContact CD1-CD 4.27Å; F491-K604 HydrophobicContact CD2-CB 4.01Å; F491-K604 HydrophobicContact CD2-CD 3.92Å; F491-K604 HydrophobicContact CD2-CG 4.21Å; F491-K604 HydrophobicContact CE1-CD 4.32Å; F491-K604 HydrophobicContact CE1-CG 4.35Å; F491-K604 HydrophobicContact CE2-CB 3.52Å; F491-K604 HydrophobicContact CE2-CD 3.99Å; F491-K604 HydrophobicContact CE2-CG 3.77Å; F491-K604 HydrophobicContact CG-CD 4.06Å; F491-K604 HydrophobicContact CZ-CB 4.05Å; F491-K604 HydrophobicContact CZ-CD 4.19Å; F491-K604 HydrophobicContact CZ-CG 3.84Å; N602-K604 PolarHBondContact O-N 2.88Å; N602-K604 VanDerWaalsContact O-N 3.09Å; N602-K604 WeakPolarHBondContact OD1-CB 3.32Å; N602-K604 PolarHBondContact OD1-N 2.93Å; K604-L607 WeakPolarHBondContact O-CB 3.13Å; K604-L607 PolarHBondContact O-N 3.25Å; K604-T608 WeakPolarHBondContact O-CG2 3.12Å; K604-T608 PolarHBondContact O-N 3.3Å |
| 605 | M | 95.1 | Very high | 96 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -71.6 | -35.4 | -179.4 | -64.4 | -58 | 132 | 0 | 0 | 112.1 | T395 Y396 F491 T593 H597 N602 T608 L609 | T395-M605 HydrophobicContact CG2-SD 3.69Å; Y396-M605 HydrophobicContact CE1-CE 3.58Å; Y396-M605 WeakPolarHBondContact OH-CE 3.47Å; F491-M605 HydrophobicContact CD2-CE 4.34Å; T593-M605 HydrophobicContact CG2-CB 4.11Å; T593-M605 PolarHBondContact OG1-O 3.31Å; H597-M605 HydrophobicContact CB-CB 3.99Å; H597-M605 VanDerWaalsContact CD2-CG 3.46Å; H597-M605 WeakPolarHBondContact CD2-CG 3.41Å; N602-M605 HydrophobicContact CB-CB 4.43Å; N602-M605 PolarHBondContact O-N 3Å; N602-M605 PolarHBondContact OD1-N 3.29Å; M605-T608 PolarHBondContact O-N 2.97Å; M605-T608 PolarHBondContact O-OG1 3.16Å; M605-L609 PolarHBondContact O-N 2.64Å |
| 606 | I | 97 | Very high | 96 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 173.7 | -70.4 | 169.1 | 0 | 0 | 0 | 111 | F538 L543 L598 L601 N602 T608 L609 F610 | F538-I606 HydrophobicContact CB-CB 4.32Å; F538-I606 HydrophobicContact CB-CG2 3.91Å; F538-I606 HydrophobicContact CD1-CG2 4.04Å; F538-I606 HydrophobicContact CG-CG2 4.42Å; F538-I606 VanDerWaalsContact O-CD1 3.27Å; F538-I606 WeakPolarHBondContact O-CD1 3.26Å; L543-I606 HydrophobicContact CD1-CD1 4.31Å; L543-I606 HydrophobicContact CD1-CG2 3.91Å; L598-I606 HydrophobicContact CD2-CD1 4.33Å; L598-I606 HydrophobicContact CD2-CG1 3.81Å; L601-I606 HydrophobicContact CD2-CD1 4.49Å; N602-I606 WeakPolarHBondContact O-CG1 3.42Å; N602-I606 PolarHBondContact O-N 2.95Å; I606-T608 VanDerWaalsContact C-N 3.33Å; I606-T608 PolarHBondContact O-N 3.18Å; I606-L609 WeakPolarHBondContact O-CB 3.43Å; I606-L609 PolarHBondContact O-N 3.16Å; I606-F610 HydrophobicContact CG2-CD2 3.73Å; I606-F610 HydrophobicContact CG2-CE2 3.57Å; I606-F610 WeakPolarHBondContact O-CD2 3.32Å; I606-F610 PolarHBondContact O-N 2.84Å |
| 607 | L | 95.4 | Very high | 96 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.3 | -47.3 | 172.9 | 170.4 | 146.4 | 0 | 0 | 0 | 111.5 | D516 I519 F538 G603 K604 L609 F610 A611 | D516-L607 HydrophobicContact CB-CD1 3.44Å; D516-L607 VanDerWaalsContact CB-CD1 3.44Å; D516-L607 VanDerWaalsContact OD1-CD1 3.23Å; D516-L607 WeakPolarHBondContact OD1-CD1 3.21Å; D516-L607 WeakPolarHBondContact OD2-CD1 2.97Å; I519-L607 HydrophobicContact CD1-CD1 4.33Å; I519-L607 HydrophobicContact CD1-CD2 4.34Å; I519-L607 HydrophobicContact CD1-CG 4.14Å; F538-L607 HydrophobicContact CD1-CB 4.41Å; F538-L607 HydrophobicContact CD2-CB 3.9Å; F538-L607 HydrophobicContact CD2-CD1 3.99Å; F538-L607 HydrophobicContact CD2-CG 4.41Å; F538-L607 HydrophobicContact CE2-CB 4.08Å; F538-L607 HydrophobicContact CE2-CD1 3.62Å; F538-L607 HydrophobicContact CE2-CG 4.12Å; F538-L607 HydrophobicContact CG-CB 4.08Å; F538-L607 HydrophobicContact CZ-CB 4.38Å; F538-L607 HydrophobicContact CZ-CD1 4.27Å; F538-L607 HydrophobicContact CZ-CG 4.38Å; G603-L607 VanDerWaalsContact O-CB 3.26Å; G603-L607 WeakPolarHBondContact O-CB 3.29Å; G603-L607 PolarHBondContact O-N 3.01Å; K604-L607 WeakPolarHBondContact O-CB 3.13Å; K604-L607 PolarHBondContact O-N 3.25Å; L607-L609 VanDerWaalsContact C-N 3.27Å; L607-L609 PolarHBondContact O-N 3.09Å; L607-F610 PolarHBondContact O-N 3.18Å; L607-A611 WeakPolarHBondContact O-CB 3.01Å; L607-A611 PolarHBondContact O-N 2.94Å |
| 608 | T | 94.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 3% | 0.025 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.1 | -31.3 | -179.9 | 62.8 | 0 | 0 | 0 | 0 | 112.8 | F491 M494 I498 K604 M605 I606 S612 | F491-T608 HydrophobicContact CE2-CG2 4.43Å; M494-T608 HydrophobicContact SD-CG2 4.43Å; I498-T608 HydrophobicContact CD1-CG2 3.95Å; K604-T608 WeakPolarHBondContact O-CG2 3.12Å; K604-T608 PolarHBondContact O-N 3.3Å; M605-T608 PolarHBondContact O-N 2.97Å; M605-T608 PolarHBondContact O-OG1 3.16Å; I606-T608 VanDerWaalsContact C-N 3.33Å; I606-T608 PolarHBondContact O-N 3.18Å; T608-S612 WeakPolarHBondContact O-CB 3.27Å; T608-S612 PolarHBondContact O-N 3.41Å; T608-S612 PolarHBondContact O-OG 3.45Å |
| 609 | L | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64 | -50.8 | 173.1 | 179.9 | 150.4 | 0 | 0 | 0 | 110.8 | I549 I581 V591 T593 L598 M605 I606 L607 A611 S612 L613 | I549-L609 HydrophobicContact CD1-CD1 3.9Å; I549-L609 HydrophobicContact CD1-CD2 4.04Å; I549-L609 HydrophobicContact CG1-CD2 3.97Å; I549-L609 HydrophobicContact CG2-CD2 4.07Å; I581-L609 HydrophobicContact CD1-CD1 3.64Å; V591-L609 HydrophobicContact CG1-CG 4.12Å; T593-L609 HydrophobicContact CG2-CD1 4.07Å; L598-L609 HydrophobicContact CD2-CD1 4.49Å; M605-L609 PolarHBondContact O-N 2.64Å; I606-L609 WeakPolarHBondContact O-CB 3.43Å; I606-L609 PolarHBondContact O-N 3.16Å; L607-L609 VanDerWaalsContact C-N 3.27Å; L607-L609 PolarHBondContact O-N 3.09Å; L609-A611 PolarHBondContact O-N 3.3Å; L609-S612 WeakPolarHBondContact O-CB 3.41Å; L609-S612 PolarHBondContact O-N 2.99Å; L609-S612 VanDerWaalsContact O-N 3.11Å; L609-L613 HydrophobicContact CD2-CD1 3.77Å; L609-L613 HydrophobicContact CD2-CG 4.29Å; L609-L613 PolarHBondContact O-N 2.66Å |
| 610 | F | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.2 | -37.7 | -179.9 | -78.1 | -63.1 | 0 | 0 | 0 | 112.6 | I519 V523 L535 F538 L543 I549 L552 I606 L607 S612 L613 Q614 | I519-F610 HydrophobicContact CG2-CB 4.11Å; V523-F610 HydrophobicContact CB-CD1 4.47Å; V523-F610 HydrophobicContact CG1-CD1 4.01Å; V523-F610 HydrophobicContact CG1-CE1 3.92Å; V523-F610 HydrophobicContact CG1-CZ 4.33Å; V523-F610 HydrophobicContact CG2-CB 3.63Å; V523-F610 HydrophobicContact CG2-CD1 3.53Å; V523-F610 HydrophobicContact CG2-CD2 4.41Å; V523-F610 HydrophobicContact CG2-CE1 4.28Å; V523-F610 HydrophobicContact CG2-CG 3.61Å; L535-F610 HydrophobicContact CD1-CE2 4.02Å; L535-F610 HydrophobicContact CD1-CZ 3.7Å; F538-F610 AromaticContact CD1-CD2 3.8Å; F538-F610 HydrophobicContact CD1-CD2 3.8Å; F538-F610 HydrophobicContact CD1-CE2 4.35Å; F538-F610 HydrophobicContact CE1-CB 4.26Å; F538-F610 AromaticContact CE1-CD2 3.86Å; F538-F610 HydrophobicContact CE1-CD2 3.86Å; F538-F610 HydrophobicContact CE1-CG 4.38Å; L543-F610 HydrophobicContact CD2-CE2 3.78Å; L543-F610 HydrophobicContact CD2-CZ 3.68Å; I549-F610 HydrophobicContact CG1-CZ 4.26Å; L552-F610 HydrophobicContact CD2-CD1 3.57Å; L552-F610 HydrophobicContact CD2-CE1 3.56Å; I606-F610 HydrophobicContact CG2-CD2 3.73Å; I606-F610 HydrophobicContact CG2-CE2 3.57Å; I606-F610 WeakPolarHBondContact O-CD2 3.32Å; I606-F610 PolarHBondContact O-N 2.84Å; L607-F610 PolarHBondContact O-N 3.18Å; F610-S612 VanDerWaalsContact C-N 3.25Å; F610-S612 PolarHBondContact O-N 3.2Å; F610-L613 HydrophobicContact CD1-CD1 4.12Å; F610-L613 HydrophobicContact CE1-CD1 4.41Å; F610-L613 PolarHBondContact O-N 2.74Å; F610-L613 VanDerWaalsContact O-N 3.14Å; F610-Q614 PolarHBondContact O-N 3.5Å |
| 611 | A | 95.1 | Very high | 95 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.3 | -37 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I498 L502 I519 L607 L609 Q614 L615 | I498-A611 HydrophobicContact CG2-CB 3.6Å; L502-A611 HydrophobicContact CD1-CB 4.45Å; I519-A611 HydrophobicContact CD1-CB 3.97Å; L607-A611 WeakPolarHBondContact O-CB 3.01Å; L607-A611 PolarHBondContact O-N 2.94Å; L609-A611 PolarHBondContact O-N 3.3Å; A611-Q614 PolarHBondContact O-N 3.42Å; A611-L615 WeakPolarHBondContact O-CB 3.49Å; A611-L615 PolarHBondContact O-N 3.36Å |
| 612 | S | 95.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 6% | 0.056 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.5 | -34.2 | 174.9 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | R590 T608 L609 F610 L615 L616 | R590-S612 PolarHBondContact O-OG 2.95Å; T608-S612 WeakPolarHBondContact O-CB 3.27Å; T608-S612 PolarHBondContact O-N 3.41Å; T608-S612 PolarHBondContact O-OG 3.45Å; L609-S612 WeakPolarHBondContact O-CB 3.41Å; L609-S612 PolarHBondContact O-N 2.99Å; L609-S612 VanDerWaalsContact O-N 3.11Å; F610-S612 VanDerWaalsContact C-N 3.25Å; F610-S612 PolarHBondContact O-N 3.2Å; S612-L615 PolarHBondContact O-N 3.25Å; S612-L616 PolarHBondContact O-N 2.9Å |
| 613 | L | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.5 | -38.6 | 172.3 | -69.2 | -179.5 | 0 | 0 | 0 | 112 | I549 L552 L553 I556 A589 L609 F610 L615 L616 Y617 | I549-L613 HydrophobicContact CG2-CD1 4.32Å; L552-L613 HydrophobicContact CD2-CD1 3.97Å; L552-L613 HydrophobicContact CG-CD1 4.48Å; L553-L613 HydrophobicContact CD1-CD2 3.8Å; I556-L613 HydrophobicContact CD1-CB 3.99Å; A589-L613 HydrophobicContact CB-CD2 4.05Å; L609-L613 HydrophobicContact CD2-CD1 3.77Å; L609-L613 HydrophobicContact CD2-CG 4.29Å; L609-L613 PolarHBondContact O-N 2.66Å; F610-L613 HydrophobicContact CD1-CD1 4.12Å; F610-L613 HydrophobicContact CE1-CD1 4.41Å; F610-L613 PolarHBondContact O-N 2.74Å; F610-L613 VanDerWaalsContact O-N 3.14Å; L613-L615 VanDerWaalsContact C-N 3.33Å; L613-L616 WeakPolarHBondContact O-CB 3.47Å; L613-L616 PolarHBondContact O-N 3.33Å; L613-Y617 PolarHBondContact O-N 2.85Å |
| 614 | Q | 95.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.019 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 172.2 | -172.5 | 172.9 | 25.8 | 0 | 0 | 111.3 | L502 W522 F610 A611 L616 Y617 Y618 | L502-Q614 HydrophobicContact CD2-CB 4.13Å; L502-Q614 HydrophobicContact CD2-CG 3.89Å; W522-Q614 HydrophobicContact CD2-CB 4.02Å; W522-Q614 HydrophobicContact CD2-CG 3.65Å; W522-Q614 HydrophobicContact CE3-CB 3.73Å; W522-Q614 HydrophobicContact CE3-CG 3.89Å; W522-Q614 HydrophobicContact CG-CG 4.17Å; W522-Q614 HydrophobicContact CH2-CB 3.73Å; W522-Q614 HydrophobicContact CH2-CG 4.2Å; W522-Q614 HydrophobicContact CZ2-CB 3.99Å; W522-Q614 HydrophobicContact CZ2-CG 3.95Å; W522-Q614 HydrophobicContact CZ3-CB 3.58Å; W522-Q614 HydrophobicContact CZ3-CG 4.17Å; F610-Q614 PolarHBondContact O-N 3.5Å; A611-Q614 PolarHBondContact O-N 3.42Å; Q614-L616 VanDerWaalsContact C-N 3.32Å; Q614-L616 PolarHBondContact O-N 3.41Å; Q614-Y617 WeakPolarHBondContact O-CB 3.4Å; Q614-Y617 PolarHBondContact O-N 3.49Å; Q614-Y618 HydrophobicContact CG-CD2 3.83Å; Q614-Y618 HydrophobicContact CG-CE2 3.47Å; Q614-Y618 VanDerWaalsContact CG-CE2 3.47Å; Q614-Y618 WeakPolarHBondContact O-CD2 3.41Å; Q614-Y618 PolarHBondContact O-N 3.42Å |
| 615 | L | 94.2 | Very high | 93.3 | Very high | 25 Ų | 25 | 31.7 Ų | 31.7 | 13% | 0.131 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60 | -42.4 | 174 | 177.9 | 62.2 | 0 | 0 | 0 | 111.6 | L501 L502 V505 A611 S612 L613 N619 | L501-L615 HydrophobicContact CB-CD1 3.96Å; L501-L615 HydrophobicContact CB-CD2 3.67Å; L501-L615 HydrophobicContact CB-CG 4.49Å; L501-L615 HydrophobicContact CD1-CD2 3.82Å; L501-L615 HydrophobicContact CG-CD2 4.41Å; L501-L615 WeakPolarHBondContact O-CD1 3.39Å; L502-L615 HydrophobicContact CD2-CB 3.81Å; L502-L615 HydrophobicContact CD2-CD1 4.33Å; L502-L615 HydrophobicContact CG-CB 4.31Å; V505-L615 HydrophobicContact CB-CD1 4.37Å; V505-L615 HydrophobicContact CG1-CD1 3.89Å; V505-L615 HydrophobicContact CG2-CD1 3.53Å; A611-L615 WeakPolarHBondContact O-CB 3.49Å; A611-L615 PolarHBondContact O-N 3.36Å; S612-L615 PolarHBondContact O-N 3.25Å; L613-L615 VanDerWaalsContact C-N 3.33Å; L615-N619 WeakPolarHBondContact O-CB 3.24Å; L615-N619 PolarHBondContact O-N 2.96Å; L615-N619 PolarHBondContact O-ND2 3.48Å |
| 616 | L | 95.5 | Very high | 92.7 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 6% | 0.063 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.7 | -47.6 | 175 | 173.8 | 63.3 | 0 | 0 | 0 | 111.4 | L553 I556 A587 A589 S612 L613 Q614 Y618 N619 L620 | L553-L616 HydrophobicContact CD1-CD2 3.96Å; I556-L616 HydrophobicContact CG2-CD2 4.36Å; I556-L616 HydrophobicContact CG2-CG 4.28Å; A587-L616 HydrophobicContact CB-CD2 3.76Å; A587-L616 WeakPolarHBondContact O-CD1 3.42Å; A589-L616 HydrophobicContact CB-CB 4.36Å; A589-L616 HydrophobicContact CB-CD2 4.17Å; S612-L616 PolarHBondContact O-N 2.9Å; L613-L616 WeakPolarHBondContact O-CB 3.47Å; L613-L616 PolarHBondContact O-N 3.33Å; Q614-L616 VanDerWaalsContact C-N 3.32Å; Q614-L616 PolarHBondContact O-N 3.41Å; L616-Y618 PolarHBondContact O-N 3.09Å; L616-N619 PolarHBondContact O-N 3.02Å; L616-L620 HydrophobicContact CD1-CD1 4.02Å; L616-L620 HydrophobicContact CD1-CG 4.06Å; L616-L620 HydrophobicContact CG-CD1 4.06Å; L616-L620 HydrophobicContact CG-CG 4.47Å; L616-L620 WeakPolarHBondContact O-CG 3.45Å; L616-L620 PolarHBondContact O-N 3.41Å |
| 617 | Y | 95.2 | Very high | 91.9 | Very high | 60 Ų | 60 | 42.2 Ų | 42.2 | 24% | 0.235 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.6 | -51.8 | 178.4 | 171.9 | -93.4 | 0 | 0 | 0 | 111.9 | W522 I556 L613 Q614 N619 L620 K621 | W522-Y617 HydrophobicContact CZ2-CD1 4.06Å; W522-Y617 HydrophobicContact CZ2-CD2 4.45Å; W522-Y617 AromaticContact CZ2-CG 3.85Å; W522-Y617 HydrophobicContact CZ2-CG 3.85Å; I556-Y617 HydrophobicContact CG1-CD2 4.17Å; I556-Y617 HydrophobicContact CG2-CD2 4.29Å; L613-Y617 PolarHBondContact O-N 2.85Å; Q614-Y617 WeakPolarHBondContact O-CB 3.4Å; Q614-Y617 PolarHBondContact O-N 3.49Å; Y617-N619 PolarHBondContact O-N 3.39Å; Y617-L620 PolarHBondContact O-N 3.16Å; Y617-K621 HydrophobicContact CE1-CD 4.36Å; Y617-K621 PolarHBondContact O-N 3.42Å |
| 618 | Y | 93.2 | Very high | 90.9 | Very high | 19 Ų | 19 | 47.1 Ų | 47.1 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.9 | -37.8 | -179.7 | -72.9 | -59.2 | 0 | 0 | 0 | 113.1 | L502 T506 E509 Q614 L616 L620 K621 Q622 | L502-Y618 HydrophobicContact CD2-CD2 4.24Å; T506-Y618 HydrophobicContact CG2-CD1 3.72Å; T506-Y618 HydrophobicContact CG2-CD2 3.57Å; T506-Y618 HydrophobicContact CG2-CE1 3.95Å; T506-Y618 HydrophobicContact CG2-CE2 3.77Å; T506-Y618 HydrophobicContact CG2-CG 3.53Å; E509-Y618 WeakPolarHBondContact OE2-CE1 3.12Å; E509-Y618 PolarHBondContact OE2-OH 3.04Å; Q614-Y618 HydrophobicContact CG-CD2 3.83Å; Q614-Y618 HydrophobicContact CG-CE2 3.47Å; Q614-Y618 VanDerWaalsContact CG-CE2 3.47Å; Q614-Y618 WeakPolarHBondContact O-CD2 3.41Å; Q614-Y618 PolarHBondContact O-N 3.42Å; L616-Y618 PolarHBondContact O-N 3.09Å; Y618-L620 VanDerWaalsContact C-N 3.33Å; Y618-L620 PolarHBondContact O-N 3.5Å; Y618-K621 HydrophobicContact CD1-CD 4.49Å; Y618-K621 PolarHBondContact O-N 3.49Å; Y618-Q622 WeakPolarHBondContact O-CB 3.42Å; Y618-Q622 PolarHBondContact O-N 3.27Å |
| 619 | N | 92 | Very high | 90 | Very high | 50 Ų | 50 | 52.8 Ų | 52.8 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 172.6 | -85.1 | -59.3 | 0 | 0 | 0 | 112.4 | V505 L615 L616 Y617 K623 | V505-N619 VanDerWaalsContact CG1-OD1 3.24Å; V505-N619 WeakPolarHBondContact CG1-OD1 3.01Å; L615-N619 WeakPolarHBondContact O-CB 3.24Å; L615-N619 PolarHBondContact O-N 2.96Å; L615-N619 PolarHBondContact O-ND2 3.48Å; L616-N619 PolarHBondContact O-N 3.02Å; Y617-N619 PolarHBondContact O-N 3.39Å; N619-K623 WeakPolarHBondContact O-CB 3.24Å; N619-K623 VanDerWaalsContact O-CG 3.29Å; N619-K623 WeakPolarHBondContact O-CG 3.04Å; N619-K623 PolarHBondContact O-N 2.86Å |
| 620 | L | 92.3 | Very high | 88.8 | Confident | 52 Ų | 52 | 61.8 Ų | 61.8 | 27% | 0.272 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 177.7 | -69.4 | 175 | 0 | 0 | 0 | 111.3 | I556 K557 L616 Y617 Y618 K623 A624 | I556-L620 HydrophobicContact CG2-CD1 4.04Å; K557-L620 HydrophobicContact CB-CD1 3.97Å; K557-L620 HydrophobicContact CD-CD1 4.41Å; K557-L620 HydrophobicContact CG-CD1 4.19Å; L616-L620 HydrophobicContact CD1-CD1 4.02Å; L616-L620 HydrophobicContact CD1-CG 4.06Å; L616-L620 HydrophobicContact CG-CD1 4.06Å; L616-L620 HydrophobicContact CG-CG 4.47Å; L616-L620 WeakPolarHBondContact O-CG 3.45Å; L616-L620 PolarHBondContact O-N 3.41Å; Y617-L620 PolarHBondContact O-N 3.16Å; Y618-L620 VanDerWaalsContact C-N 3.33Å; Y618-L620 PolarHBondContact O-N 3.5Å; L620-K623 PolarHBondContact O-N 3.17Å; L620-A624 PolarHBondContact O-N 3.48Å |
| 621 | K | 90.5 | Very high | 87.5 | Confident | 72 Ų | 72 | 65.9 Ų | 65.9 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.9 | -50.3 | 175.3 | -174.1 | -177.7 | 173.9 | -170.2 | 0 | 111.5 | E509 Y617 Y618 K623 A624 E625 | E509-K621 IonicContact OE1-NZ 3.07Å; E509-K621 PolarHBondContact OE1-NZ 3.16Å; Y617-K621 HydrophobicContact CE1-CD 4.36Å; Y617-K621 PolarHBondContact O-N 3.42Å; Y618-K621 HydrophobicContact CD1-CD 4.49Å; Y618-K621 PolarHBondContact O-N 3.49Å; K621-K623 VanDerWaalsContact C-N 3.33Å; K621-K623 PolarHBondContact O-N 2.76Å; K621-A624 WeakPolarHBondContact O-CB 3.47Å; K621-A624 PolarHBondContact O-N 2.8Å; K621-A624 VanDerWaalsContact O-N 3.11Å; K621-E625 WeakPolarHBondContact CE-OE1 3.37Å; K621-E625 WeakPolarHBondContact O-CG 3.49Å; K621-E625 PolarHBondContact O-N 3.43Å |
| 622 | Q | 86.6 | Confident | 86.3 | Confident | 64 Ų | 64 | 71 Ų | 71 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 178.3 | -167.5 | -170.4 | 62.2 | 0 | 0 | 112 | Y618 E625 N626 | Y618-Q622 WeakPolarHBondContact O-CB 3.42Å; Y618-Q622 PolarHBondContact O-N 3.27Å; Q622-E625 PolarHBondContact O-N 3.19Å; Q622-N626 WeakPolarHBondContact O-CB 3.49Å; Q622-N626 VanDerWaalsContact O-CG 3.25Å; Q622-N626 PolarHBondContact O-N 3.01Å; Q622-N626 PolarHBondContact O-ND2 3.38Å |
| 623 | K | 86.9 | Confident | 85.1 | Confident | 143 Ų | 143 | 76.9 Ų | 76.9 | 62% | 0.622 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 174.3 | -77 | 176.4 | -178.8 | 179.7 | 0 | 112 | N619 L620 K621 K627 | N619-K623 WeakPolarHBondContact O-CB 3.24Å; N619-K623 VanDerWaalsContact O-CG 3.29Å; N619-K623 WeakPolarHBondContact O-CG 3.04Å; N619-K623 PolarHBondContact O-N 2.86Å; L620-K623 PolarHBondContact O-N 3.17Å; K621-K623 VanDerWaalsContact C-N 3.33Å; K621-K623 PolarHBondContact O-N 2.76Å; K623-K627 WeakPolarHBondContact O-CB 3.44Å; K623-K627 PolarHBondContact O-N 2.86Å |
| 624 | A | 86.8 | Confident | 83.4 | Confident | 61 Ų | 61 | 83.1 Ų | 83.1 | 50% | 0.504 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L620 K621 K627 H628 | L620-A624 PolarHBondContact O-N 3.48Å; K621-A624 WeakPolarHBondContact O-CB 3.47Å; K621-A624 PolarHBondContact O-N 2.8Å; K621-A624 VanDerWaalsContact O-N 3.11Å; A624-K627 WeakPolarHBondContact O-CB 3.41Å; A624-K627 PolarHBondContact O-N 2.86Å; A624-H628 PolarHBondContact O-N 3.01Å |
| 625 | E | 86.1 | Confident | 81.7 | Confident | 87 Ų | 87 | 88.5 Ų | 88.5 | 41% | 0.407 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 176.7 | -71.6 | 177 | -173.4 | 0 | 0 | 112.2 | K621 Q622 K627 H628 K629 | K621-E625 WeakPolarHBondContact CE-OE1 3.37Å; K621-E625 WeakPolarHBondContact O-CG 3.49Å; K621-E625 PolarHBondContact O-N 3.43Å; Q622-E625 PolarHBondContact O-N 3.19Å; E625-K627 VanDerWaalsContact C-N 3.32Å; E625-K627 PolarHBondContact O-N 3.32Å; E625-H628 PolarHBondContact O-N 3.08Å; E625-K629 WeakPolarHBondContact O-CG 3.48Å; E625-K629 PolarHBondContact O-N 3.26Å |
| 626 | N | 83.2 | Confident | 80.4 | Confident | 74 Ų | 74 | 92.1 Ų | 92.1 | 40% | 0.396 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 176.9 | -75.3 | -21.9 | 0 | 0 | 0 | 112 | Q622 R630 | Q622-N626 WeakPolarHBondContact O-CB 3.49Å; Q622-N626 VanDerWaalsContact O-CG 3.25Å; Q622-N626 PolarHBondContact O-N 3.01Å; Q622-N626 PolarHBondContact O-ND2 3.38Å; N626-R630 WeakPolarHBondContact O-CG 3.38Å; N626-R630 PolarHBondContact O-N 3.08Å |
| 627 | K | 79.5 | Confident | 79 | Confident | 147 Ų | 147 | 100.9 Ų | 100.9 | 64% | 0.639 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63 | -44.6 | 172.8 | -174.3 | -179.7 | 178.3 | -176.6 | 0 | 111.1 | K623 A624 E625 R630 I631 | K623-K627 WeakPolarHBondContact O-CB 3.44Å; K623-K627 PolarHBondContact O-N 2.86Å; A624-K627 WeakPolarHBondContact O-CB 3.41Å; A624-K627 PolarHBondContact O-N 2.86Å; E625-K627 VanDerWaalsContact C-N 3.32Å; E625-K627 PolarHBondContact O-N 3.32Å; K627-R630 PolarHBondContact O-N 3.34Å; K627-I631 HydrophobicContact CG-CD1 4.22Å; K627-I631 WeakPolarHBondContact O-CG1 3.47Å; K627-I631 PolarHBondContact O-N 2.96Å |
| 628 | H | 75 | Confident | 77.6 | Confident | 106 Ų | 106 | 108.3 Ų | 108.3 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 179.6 | -162.2 | 73.4 | 0 | 0 | 0 | 112.4 | A624 E625 R630 I631 K632 | A624-H628 PolarHBondContact O-N 3.01Å; E625-H628 PolarHBondContact O-N 3.08Å; H628-R630 PolarHBondContact O-N 3.06Å; H628-I631 PolarHBondContact O-N 3.06Å; H628-K632 WeakPolarHBondContact NE2-CE 3.36Å; H628-K632 PolarHBondContact O-N 3.45Å |
| 629 | K | 76.2 | Confident | 75.7 | Confident | 123 Ų | 123 | 112.6 Ų | 112.6 | 54% | 0.535 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 172.8 | -72.4 | 176.8 | -175.5 | 171.6 | 0 | 112.3 | E625 K632 N633 | E625-K629 WeakPolarHBondContact O-CG 3.48Å; E625-K629 PolarHBondContact O-N 3.26Å; K629-K632 PolarHBondContact O-N 3.31Å; K629-N633 WeakPolarHBondContact O-CB 3.46Å; K629-N633 PolarHBondContact O-N 3.12Å |
| 630 | R | 70.7 | Confident | 74 | Confident | 190 Ų | 190 | 119.1 Ų | 119.1 | 72% | 0.717 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63 | -40.8 | 175.2 | -77.3 | 179.5 | 176 | -173.8 | -0.5 | 112.4 | N626 K627 H628 N633 N634 | N626-R630 WeakPolarHBondContact O-CG 3.38Å; N626-R630 PolarHBondContact O-N 3.08Å; K627-R630 PolarHBondContact O-N 3.34Å; H628-R630 PolarHBondContact O-N 3.06Å; R630-N633 PolarHBondContact O-N 3.5Å; R630-N634 WeakPolarHBondContact O-CB 3.47Å; R630-N634 PolarHBondContact O-N 3.43Å |
| 631 | I | 70.7 | Confident | 72.2 | Confident | 85 Ų | 85 | 123.6 Ų | 123.6 | 44% | 0.436 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.4 | -50.6 | 176 | -66.5 | 165.4 | 0 | 0 | 0 | 109.9 | K627 H628 N633 N634 E635 | K627-I631 HydrophobicContact CG-CD1 4.22Å; K627-I631 WeakPolarHBondContact O-CG1 3.47Å; K627-I631 PolarHBondContact O-N 2.96Å; H628-I631 PolarHBondContact O-N 3.06Å; I631-N633 VanDerWaalsContact C-N 3.27Å; I631-N633 PolarHBondContact O-N 3.44Å; I631-N634 CarbonylContact O-C 3.4Å; I631-N634 PolarHBondContact O-N 3.08Å; I631-E635 PolarHBondContact O-N 3.37Å |
| 632 | K | 69.5 | Low | 70.2 | Confident | 110 Ų | 110 | 126.6 Ų | 126.6 | 48% | 0.478 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -58.9 | -34 | 177.1 | -75 | -174.5 | 172.8 | 175.7 | 0 | 114.1 | H628 K629 | H628-K632 WeakPolarHBondContact NE2-CE 3.36Å; H628-K632 PolarHBondContact O-N 3.45Å; K629-K632 PolarHBondContact O-N 3.31Å |
| 633 | N | 70.2 | Confident | 68.4 | Low | 130 Ų | 130 | 131.3 Ų | 131.3 | 70% | 0.695 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -77.6 | -27.4 | 176.5 | -74.9 | -6.5 | 0 | 0 | 0 | 113 | K629 R630 I631 | K629-N633 WeakPolarHBondContact O-CB 3.46Å; K629-N633 PolarHBondContact O-N 3.12Å; R630-N633 PolarHBondContact O-N 3.5Å; I631-N633 VanDerWaalsContact C-N 3.27Å; I631-N633 PolarHBondContact O-N 3.44Å |
| 634 | N | 60.6 | Low | 66.3 | Low | 132 Ų | 132 | 131 Ų | 131 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -90.1 | -8.2 | 176.8 | -74.7 | -1.7 | 0 | 0 | 0 | 113.3 | R630 I631 L636 | R630-N634 WeakPolarHBondContact O-CB 3.47Å; R630-N634 PolarHBondContact O-N 3.43Å; I631-N634 CarbonylContact O-C 3.4Å; I631-N634 PolarHBondContact O-N 3.08Å; N634-L636 PolarHBondContact O-N 2.89Å |
| 635 | E | 61.5 | Low | 64.3 | Low | 117 Ų | 117 | 137.1 Ų | 137.1 | 55% | 0.547 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -57.3 | 112.9 | 167.1 | -81.9 | 174.2 | -175.4 | 0 | 0 | 108.4 | I631 K637 | I631-E635 PolarHBondContact O-N 3.37Å; E635-K637 PolarHBondContact O-N 2.95Å |
| 636 | L | 65 | Low | 62.2 | Low | 101 Ų | 101 | 142.9 Ų | 142.9 | 53% | 0.529 | 67% | 0.671 | S | S | . | * | trans | -65.1 | 87.1 | 175.4 | -72.7 | 170.6 | 0 | 0 | 0 | 107.8 | N634 W638 L639 | N634-L636 PolarHBondContact O-N 2.89Å; L636-W638 HydrophobicContact CD2-CZ2 4.29Å; L636-W638 VanDerWaalsContact CD2-NE1 3.33Å; L636-W638 PolarHBondContact O-N 2.66Å; L636-L639 HydrophobicContact CB-CB 3.9Å; L636-L639 WeakPolarHBondContact O-CB 3.28Å; L636-L639 PolarHBondContact O-N 3.27Å | ||
| 637 | K | 66.2 | Low | 60.3 | Low | 195 Ų | 195 | 145.8 Ų | 145.8 | 85% | 0.848 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -19.4 | -174.3 | -64.2 | -175 | -179.8 | 179.4 | 0 | 114.6 | E635 | E635-K637 PolarHBondContact O-N 2.95Š|
| 638 | W | 65.7 | Low | 58.4 | Low | 217 Ų | 217 | 146.6 Ų | 146.6 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -8.5 | 175.1 | 53.6 | 16.1 | 0 | 0 | 0 | 115.1 | L636 K640 | L636-W638 HydrophobicContact CD2-CZ2 4.29Å; L636-W638 VanDerWaalsContact CD2-NE1 3.33Å; L636-W638 PolarHBondContact O-N 2.66Å; W638-K640 PolarHBondContact O-N 3.35Å |
| 639 | L | 55.3 | Low | 57 | Low | 109 Ų | 109 | 145.5 Ų | 145.5 | 57% | 0.571 | 72% | 0.72 | S | S | * | * | trans | -93.9 | 90.9 | -178.2 | -162.6 | 83 | 0 | 0 | 0 | 107.1 | L636 L641 | L636-L639 HydrophobicContact CB-CB 3.9Å; L636-L639 WeakPolarHBondContact O-CB 3.28Å; L636-L639 PolarHBondContact O-N 3.27Å; L639-L641 PolarHBondContact O-N 3.35Å | ||
| 640 | K | 54.3 | Low | 55.2 | Low | 186 Ų | 186 | 144.5 Ų | 144.5 | 81% | 0.809 | 74% | 0.735 | S | S | * | * | trans | -68 | 102.6 | 166.7 | -70.5 | -175.2 | 178.4 | -177.2 | 0 | 107.3 | W638 N642 | W638-K640 PolarHBondContact O-N 3.35Å; K640-N642 PolarHBondContact O-N 3.07Å | ||
| 641 | L | 55.1 | Low | 53.9 | Low | 146 Ų | 146 | 148.2 Ų | 148.2 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | -62.6 | 114 | 159.1 | -71.9 | 164.5 | 0 | 0 | 0 | 105.6 | L639 D643 | L639-L641 PolarHBondContact O-N 3.35Å; L641-D643 PolarHBondContact O-N 2.8Å | ||
| 642 | N | 48.6 | Very low | 53.1 | Low | 136 Ų | 136 | 151.4 Ų | 151.4 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -66.7 | 100.5 | 175 | -74.1 | -13.6 | 0 | 0 | 0 | 108 | K640 D644 | K640-N642 PolarHBondContact O-N 3.07Å; N642-D644 PolarHBondContact O-N 3.06Å | ||
| 643 | D | 48.6 | Very low | 52.2 | Low | 162 Ų | 162 | 153.6 Ų | 153.6 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | -73.4 | 74.2 | 162.4 | -88.3 | -26.5 | 0 | 0 | 0 | 108.8 | L641 | L641-D643 PolarHBondContact O-N 2.8Š| ||
| 644 | D | 44.2 | Very low | 51.2 | Low | 136 Ų | 136 | 154.9 Ų | 154.9 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -126.7 | 60.7 | 173.5 | -81.7 | -33.9 | 0 | 0 | 0 | 110.5 | N642 | N642-D644 PolarHBondContact O-N 3.06Š| ||
| 645 | Q | 43.5 | Very low | 50.7 | Low | 190 Ų | 190 | 156.2 Ų | 156.2 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -148.4 | 48.2 | 156.3 | -74.8 | -157.6 | -18.7 | 0 | 0 | 112.2 | ||||
| 646 | K | 41.7 | Very low | 50 | Low | 209 Ų | 209 | 158.7 Ų | 158.7 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -120.7 | 65.9 | 156.4 | -78.2 | -171.5 | 179.4 | 178 | 0 | 109.4 | N648 | K646-N648 PolarHBondContact O-N 3.22Š| ||
| 647 | T | 43.9 | Very low | 49 | Very low | 134 Ų | 134 | 162.5 Ų | 162.5 | 82% | 0.822 | 84% | 0.839 | S | S | * | * | trans | -82.9 | 107.1 | 162.1 | 45.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 648 | N | 40.9 | Very low | 47.8 | Very low | 165 Ų | 165 | 160.2 Ų | 160.2 | 88% | 0.882 | 84% | 0.838 | S | S | * | * | trans | -2.1 | 116.6 | 144.5 | -63.3 | -26.8 | 0 | 0 | 0 | 115.6 | K646 | K646-N648 PolarHBondContact O-N 3.22Š| ||
| 649 | G | 44.8 | Very low | 46.4 | Very low | 82 Ų | 82 | 155.8 Ų | 155.8 | 85% | 0.845 | 84% | 0.84 | S | S | * | * | trans | -133.8 | 83.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 650 | A | 37.6 | Very low | 45.6 | Very low | 103 Ų | 103 | 159.8 Ų | 159.8 | 85% | 0.851 | 86% | 0.862 | S | S | * | * | trans | -87.5 | 107.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 651 | E | 44.6 | Very low | 44.9 | Very low | 268 Ų | 268 | 157.4 Ų | 157.4 | 100% | 1.252 | 87% | 0.867 | S | S | * | * | trans | -151.2 | 0 | 146.6 | -98.5 | -172.7 | 177.7 | 0 | 0 | 107.8 |
Retrieved 651 of 651 residues in 438.7 ms
(Link to these results)