| 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 | 65 | Low | 79.5 | Confident | 130 Ų | 130 | 48.7 Ų | 48.7 | 64% | 0.64 | 30% | 0.3 | S | S | * | . | 0 | -50.9 | 0 | -83.4 | 177.1 | 74.2 | 0 | 0 | 113.1 | A3 G4 L5 | M1-A3 PolarHBondContact O-N 2.76Å; M1-G4 PolarHBondContact O-N 3.1Å; M1-L5 PolarHBondContact O-N 2.96Å | |||
| 2 | H | 69.1 | Low | 80.4 | Confident | 57 Ų | 57 | 46.8 Ų | 46.8 | 26% | 0.264 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.8 | -50.1 | -176 | -84.3 | 79.7 | 0 | 0 | 0 | 113.3 | G4 L5 L6 E106 R162 F166 | H2-G4 PolarHBondContact O-N 3.07Å; H2-G4 VanDerWaalsContact O-N 3.15Å; H2-L5 WeakPolarHBondContact O-CA 3.35Å; H2-L5 WeakPolarHBondContact O-CB 3.33Å; H2-L5 PolarHBondContact O-N 2.87Å; H2-L6 PolarHBondContact O-N 3.1Å; H2-E106 IonicContact CD2-OE2 3.99Å; H2-R162 PolarHBondContact NE2-NH2 3.23Å; H2-F166 AromaticContact NE2-CE2 3.8Å; H2-F166 AromaticContact NE2-CZ 3.78Å |
| 3 | A | 71.2 | Confident | 80.9 | Confident | 36 Ų | 36 | 43.5 Ų | 43.5 | 30% | 0.298 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -53.4 | -37.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | M1 L6 G7 | M1-A3 PolarHBondContact O-N 2.76Å; A3-L6 PolarHBondContact O-N 3.17Å; A3-G7 PolarHBondContact O-N 2.86Å |
| 4 | G | 78 | Confident | 81.6 | Confident | 44 Ų | 44 | 43.1 Ų | 43.1 | 45% | 0.454 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.4 | -29.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | M1 H2 L8 | M1-G4 PolarHBondContact O-N 3.1Å; H2-G4 PolarHBondContact O-N 3.07Å; H2-G4 VanDerWaalsContact O-N 3.15Å; G4-L8 WeakPolarHBondContact O-CB 3.28Å; G4-L8 PolarHBondContact O-N 2.97Å; G4-L8 VanDerWaalsContact O-N 3.15Å |
| 5 | L | 80.9 | Confident | 82.3 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.7 | -47.7 | 170.6 | -170.8 | 90.1 | 0 | 0 | 0 | 110.5 | M1 H2 G7 L8 S9 W155 W176 L179 | M1-L5 PolarHBondContact O-N 2.96Å; H2-L5 WeakPolarHBondContact O-CA 3.35Å; H2-L5 WeakPolarHBondContact O-CB 3.33Å; H2-L5 PolarHBondContact O-N 2.87Å; L5-G7 VanDerWaalsContact C-N 3.32Å; L5-G7 PolarHBondContact O-N 3.48Å; L5-L8 PolarHBondContact O-N 3.09Å; L5-S9 PolarHBondContact O-N 3.27Å; L5-S9 PolarHBondContact O-OG 3.26Å; L5-S9 VanDerWaalsContact O-OG 3.12Å; L5-W155 HydrophobicContact CD1-CH2 3.66Å; L5-W155 HydrophobicContact CD1-CZ2 3.55Å; L5-W155 HydrophobicContact CG-CZ2 4.06Å; L5-W176 HydrophobicContact CD1-CH2 4.47Å; L5-W176 HydrophobicContact CD1-CZ3 4.18Å; L5-L179 HydrophobicContact CD1-CD1 3.85Å |
| 6 | L | 79.3 | Confident | 82.9 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -40 | 179.3 | -62.5 | 174.8 | 0 | 0 | 0 | 111.3 | H2 A3 S9 A10 H82 V86 A89 E106 | H2-L6 PolarHBondContact O-N 3.1Å; A3-L6 PolarHBondContact O-N 3.17Å; L6-S9 WeakPolarHBondContact O-CB 3.28Å; L6-S9 PolarHBondContact O-N 3.16Å; L6-A10 WeakPolarHBondContact O-CB 3.16Å; L6-A10 PolarHBondContact O-N 2.89Å; L6-H82 PolarHBondContact O-CE1 3.45Å; L6-V86 HydrophobicContact CB-CG2 3.77Å; L6-A89 HydrophobicContact CD1-CB 4.03Å; L6-E106 HydrophobicContact CD2-CG 4.14Å |
| 7 | G | 83.3 | Confident | 83.3 | Confident | 33 Ų | 33 | 38.2 Ų | 38.2 | 34% | 0.34 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A3 L5 A10 L11 | A3-G7 PolarHBondContact O-N 2.86Å; L5-G7 VanDerWaalsContact C-N 3.32Å; L5-G7 PolarHBondContact O-N 3.48Å; G7-A10 PolarHBondContact O-N 3.18Å; G7-L11 WeakPolarHBondContact O-CB 3.44Å; G7-L11 PolarHBondContact O-N 3.02Å |
| 8 | L | 85.9 | Confident | 83.8 | Confident | 74 Ų | 74 | 39.9 Ų | 39.9 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 174.9 | -177.6 | 63.5 | 0 | 0 | 0 | 111.9 | G4 L5 L11 L12 W155 | G4-L8 WeakPolarHBondContact O-CB 3.28Å; G4-L8 PolarHBondContact O-N 2.97Å; G4-L8 VanDerWaalsContact O-N 3.15Å; L5-L8 PolarHBondContact O-N 3.09Å; L8-L11 PolarHBondContact O-N 2.96Å; L8-L12 VanDerWaalsContact O-CB 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.27Å; L8-L12 PolarHBondContact O-N 2.88Å; L8-W155 HydrophobicContact CD2-CH2 3.71Å; L8-W155 HydrophobicContact CD2-CZ2 3.83Å; L8-W155 HydrophobicContact CD2-CZ3 4.33Å; L8-W155 HydrophobicContact CG-CZ2 4.26Å |
| 9 | S | 86.9 | Confident | 84.2 | Confident | 17 Ų | 17 | 38.5 Ų | 38.5 | 12% | 0.119 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.5 | -48 | 173.5 | -62.9 | 0 | 0 | 0 | 0 | 111.8 | L5 L6 L12 Q13 H82 W155 | L5-S9 PolarHBondContact O-N 3.27Å; L5-S9 PolarHBondContact O-OG 3.26Å; L5-S9 VanDerWaalsContact O-OG 3.12Å; L6-S9 WeakPolarHBondContact O-CB 3.28Å; L6-S9 PolarHBondContact O-N 3.16Å; S9-L12 PolarHBondContact O-N 3.34Å; S9-Q13 WeakPolarHBondContact O-CB 3.45Å; S9-Q13 PolarHBondContact O-N 3.01Å; S9-H82 WeakPolarHBondContact CB-NE2 3.07Å; S9-W155 PolarHBondContact OG-NE1 3.38Å |
| 10 | A | 85.9 | Confident | 84.6 | Confident | 12 Ų | 12 | 36.6 Ų | 36.6 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -47.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L6 G7 L12 Q13 A14 W79 H82 | L6-A10 WeakPolarHBondContact O-CB 3.16Å; L6-A10 PolarHBondContact O-N 2.89Å; G7-A10 PolarHBondContact O-N 3.18Å; A10-L12 VanDerWaalsContact C-N 3.32Å; A10-L12 PolarHBondContact O-N 3.25Å; A10-Q13 PolarHBondContact O-N 2.9Å; A10-A14 PolarHBondContact O-N 3.42Å; A10-W79 HydrophobicContact CB-CH2 3.96Å; A10-W79 HydrophobicContact CB-CZ3 4.19Å; A10-W79 VanDerWaalsContact O-CH2 3.29Å; A10-W79 WeakPolarHBondContact O-CH2 3.39Å; A10-W79 WeakPolarHBondContact O-CZ3 3.39Å; A10-H82 PolarHBondContact N-NE2 3Å |
| 11 | L | 89.6 | Confident | 84.9 | Confident | 122 Ų | 122 | 39.9 Ų | 39.9 | 64% | 0.639 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.7 | -41 | 178.6 | -175.8 | 146.2 | 0 | 0 | 0 | 112 | G7 L8 A14 A15 | G7-L11 WeakPolarHBondContact O-CB 3.44Å; G7-L11 PolarHBondContact O-N 3.02Å; L8-L11 PolarHBondContact O-N 2.96Å; L11-A14 PolarHBondContact O-N 2.99Å; L11-A15 WeakPolarHBondContact O-CB 3.14Å; L11-A15 PolarHBondContact O-N 2.66Å |
| 12 | L | 90 | Very high | 86.3 | Confident | 26 Ų | 26 | 40.4 Ų | 40.4 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72.8 | -28.1 | 178 | -173.5 | 60.3 | 0 | 0 | 0 | 113.1 | L8 S9 A10 E16 S152 W155 | L8-L12 VanDerWaalsContact O-CB 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.27Å; L8-L12 PolarHBondContact O-N 2.88Å; S9-L12 PolarHBondContact O-N 3.34Å; A10-L12 VanDerWaalsContact C-N 3.32Å; A10-L12 PolarHBondContact O-N 3.25Å; L12-E16 WeakPolarHBondContact O-CB 3.32Å; L12-E16 PolarHBondContact O-N 3.49Å; L12-S152 PolarHBondContact O-OG 3.31Å; L12-W155 HydrophobicContact CD2-CB 3.5Å; L12-W155 HydrophobicContact CD2-CD2 4.43Å; L12-W155 HydrophobicContact CD2-CG 3.71Å |
| 13 | Q | 87 | Confident | 87.4 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.1 | -48.5 | 168.4 | 177.6 | 165.8 | 11.1 | 0 | 0 | 110.6 | S9 A10 A15 E16 Q17 W79 E116 | S9-Q13 WeakPolarHBondContact O-CB 3.45Å; S9-Q13 PolarHBondContact O-N 3.01Å; A10-Q13 PolarHBondContact O-N 2.9Å; Q13-A15 VanDerWaalsContact C-N 3.3Å; Q13-A15 PolarHBondContact O-N 3.34Å; Q13-E16 PolarHBondContact O-N 3.02Å; Q13-E16 VanDerWaalsContact O-N 3.13Å; Q13-Q17 HydrophobicContact CG-CG 4.04Å; Q13-Q17 VanDerWaalsContact O-CG 3.23Å; Q13-Q17 WeakPolarHBondContact O-CG 3.24Å; Q13-Q17 PolarHBondContact O-N 3.14Å; Q13-W79 HydrophobicContact CB-CE3 4.49Å; Q13-W79 HydrophobicContact CB-CZ3 4.1Å; Q13-W79 HydrophobicContact CG-CE3 4.02Å; Q13-W79 HydrophobicContact CG-CZ3 4.13Å; Q13-E116 PolarHBondContact NE2-OE2 3.05Å |
| 14 | A | 89.7 | Confident | 88.5 | Confident | 38 Ų | 38 | 36.8 Ų | 36.8 | 31% | 0.314 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A10 L11 S18 W79 | A10-A14 PolarHBondContact O-N 3.42Å; L11-A14 PolarHBondContact O-N 2.99Å; A14-S18 VanDerWaalsContact O-CB 3.29Å; A14-S18 WeakPolarHBondContact O-CB 3.31Å; A14-S18 PolarHBondContact O-N 3.08Å; A14-S18 PolarHBondContact O-OG 3.49Å; A14-W79 HydrophobicContact CB-CH2 3.68Å; A14-W79 HydrophobicContact CB-CZ2 4.45Å; A14-W79 HydrophobicContact CB-CZ3 3.91Å |
| 15 | A | 92.2 | Very high | 89.2 | Confident | 18 Ų | 18 | 37.1 Ų | 37.1 | 15% | 0.149 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L11 Q13 S18 A19 F148 | L11-A15 WeakPolarHBondContact O-CB 3.14Å; L11-A15 PolarHBondContact O-N 2.66Å; Q13-A15 VanDerWaalsContact C-N 3.3Å; Q13-A15 PolarHBondContact O-N 3.34Å; A15-S18 PolarHBondContact O-OG 3.34Å; A15-A19 WeakPolarHBondContact O-CB 3.28Å; A15-A19 PolarHBondContact O-N 3.19Å; A15-F148 HydrophobicContact CB-CD1 3.71Å; A15-F148 HydrophobicContact CB-CE1 3.83Å; A15-F148 HydrophobicContact CB-CG 4.16Å; A15-F148 HydrophobicContact CB-CZ 4.33Å |
| 16 | E | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.8 | -46.7 | 176.4 | -179.8 | -96.2 | 160.5 | 0 | 0 | 112.2 | L12 Q13 A19 R20 R113 T121 | L12-E16 WeakPolarHBondContact O-CB 3.32Å; L12-E16 PolarHBondContact O-N 3.49Å; Q13-E16 PolarHBondContact O-N 3.02Å; Q13-E16 VanDerWaalsContact O-N 3.13Å; E16-A19 PolarHBondContact O-N 3.24Å; E16-R20 WeakPolarHBondContact O-CB 3.2Å; E16-R20 PolarHBondContact O-N 2.81Å; E16-R20 IonicContact OE1-CZ 2.74Å; E16-R20 IonicContact OE1-NE 3.46Å; E16-R20 IonicContact OE1-NH1 2.84Å; E16-R20 PolarHBondContact OE1-NH1 3.44Å; E16-R20 IonicContact OE2-NH1 3.57Å; E16-R113 IonicContact OE2-CZ 3.22Å; E16-R113 IonicContact OE2-NH1 2.78Å; E16-R113 PolarHBondContact OE2-NH1 3.09Å; E16-R113 IonicContact OE2-NH2 2.65Å; E16-R113 PolarHBondContact OE2-NH2 3.4Å; E16-T121 VanDerWaalsContact CD-OG1 3.3Å; E16-T121 HydrophobicContact CG-CG2 3.83Å; E16-T121 WeakPolarHBondContact OE1-CB 3.44Å; E16-T121 WeakPolarHBondContact OE1-CG2 3.37Å; E16-T121 PolarHBondContact OE1-OG1 3.24Å |
| 17 | Q | 89.8 | Confident | 90.5 | Very high | 27 Ų | 27 | 38.9 Ų | 38.9 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 178.8 | -62.5 | -66.3 | -51.2 | 0 | 0 | 112 | Q13 R20 L21 E116 | Q13-Q17 HydrophobicContact CG-CG 4.04Å; Q13-Q17 VanDerWaalsContact O-CG 3.23Å; Q13-Q17 WeakPolarHBondContact O-CG 3.24Å; Q13-Q17 PolarHBondContact O-N 3.14Å; Q17-R20 VanDerWaalsContact NE2-CZ 3.32Å; Q17-R20 PolarHBondContact O-N 3.44Å; Q17-L21 WeakPolarHBondContact O-CG 3.42Å; Q17-L21 PolarHBondContact O-N 3.29Å; Q17-E116 PolarHBondContact NE2-OE1 2.95Å |
| 18 | S | 91.4 | Very high | 91 | Very high | 70 Ų | 70 | 40.6 Ų | 40.6 | 49% | 0.49 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.2 | -43.3 | 179 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | A14 A15 R20 L21 Y22 | A14-S18 VanDerWaalsContact O-CB 3.29Å; A14-S18 WeakPolarHBondContact O-CB 3.31Å; A14-S18 PolarHBondContact O-N 3.08Å; A14-S18 PolarHBondContact O-OG 3.49Å; A15-S18 PolarHBondContact O-OG 3.34Å; S18-R20 VanDerWaalsContact C-N 3.31Å; S18-R20 PolarHBondContact O-N 2.86Å; S18-L21 PolarHBondContact O-N 2.88Å; S18-Y22 WeakPolarHBondContact O-CB 3.37Å; S18-Y22 PolarHBondContact O-N 3.45Å |
| 19 | A | 92.8 | Very high | 91.4 | Very high | 12 Ų | 12 | 42.8 Ų | 42.8 | 10% | 0.099 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -34.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A15 E16 T23 S145 F148 | A15-A19 WeakPolarHBondContact O-CB 3.28Å; A15-A19 PolarHBondContact O-N 3.19Å; E16-A19 PolarHBondContact O-N 3.24Å; A19-T23 PolarHBondContact O-N 2.83Å; A19-T23 PolarHBondContact O-OG1 3.31Å; A19-S145 PolarHBondContact O-OG 2.74Å; A19-F148 HydrophobicContact CB-CD2 3.93Å |
| 20 | R | 91.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.3 | -52.5 | 175.6 | -176.7 | 167.5 | 76.3 | -178.7 | 17.9 | 111.8 | E16 Q17 S18 Y22 T23 V24 L43 E116 Q120 T121 | E16-R20 WeakPolarHBondContact O-CB 3.2Å; E16-R20 PolarHBondContact O-N 2.81Å; E16-R20 IonicContact OE1-CZ 2.74Å; E16-R20 IonicContact OE1-NE 3.46Å; E16-R20 IonicContact OE1-NH1 2.84Å; E16-R20 PolarHBondContact OE1-NH1 3.44Å; E16-R20 IonicContact OE2-NH1 3.57Å; Q17-R20 VanDerWaalsContact NE2-CZ 3.32Å; Q17-R20 PolarHBondContact O-N 3.44Å; S18-R20 VanDerWaalsContact C-N 3.31Å; S18-R20 PolarHBondContact O-N 2.86Å; R20-Y22 VanDerWaalsContact C-N 3.33Å; R20-Y22 PolarHBondContact O-N 3.27Å; R20-T23 WeakPolarHBondContact CA-OG1 3.46Å; R20-T23 PolarHBondContact O-N 3.4Å; R20-T23 PolarHBondContact O-OG1 2.97Å; R20-V24 PolarHBondContact O-N 3.48Å; R20-L43 HydrophobicContact CG-CD2 3.88Å; R20-E116 IonicContact CZ-OE1 3.29Å; R20-E116 IonicContact NH1-OE1 3.64Å; R20-E116 IonicContact NH2-OE1 3.06Å; R20-E116 PolarHBondContact NH2-OE1 3.49Å; R20-Q120 VanDerWaalsContact NH2-NE2 3.12Å; R20-T121 PolarHBondContact NH1-OG1 2.95Å |
| 21 | L | 91.4 | Very high | 91.7 | Very high | 105 Ų | 105 | 47.1 Ų | 47.1 | 55% | 0.55 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 175 | -69.3 | 172.1 | 0 | 0 | 0 | 111.9 | Q17 S18 V24 A25 | Q17-L21 WeakPolarHBondContact O-CG 3.42Å; Q17-L21 PolarHBondContact O-N 3.29Å; S18-L21 PolarHBondContact O-N 2.88Å; L21-V24 PolarHBondContact O-N 3.31Å; L21-A25 PolarHBondContact O-N 2.88Å |
| 22 | Y | 93.6 | Very high | 91.8 | Very high | 141 Ų | 141 | 44.3 Ų | 44.3 | 55% | 0.553 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.9 | -40.5 | 176.6 | -176.1 | -102.4 | 0 | 0 | 0 | 112.3 | S18 R20 V24 A25 Y26 V141 | S18-Y22 WeakPolarHBondContact O-CB 3.37Å; S18-Y22 PolarHBondContact O-N 3.45Å; R20-Y22 VanDerWaalsContact C-N 3.33Å; R20-Y22 PolarHBondContact O-N 3.27Å; Y22-V24 VanDerWaalsContact C-N 3.34Å; Y22-V24 PolarHBondContact O-N 2.98Å; Y22-A25 PolarHBondContact O-N 2.94Å; Y22-Y26 WeakPolarHBondContact O-CB 3.49Å; Y22-Y26 PolarHBondContact O-N 2.88Å; Y22-V141 HydrophobicContact CD1-CG1 3.67Å; Y22-V141 HydrophobicContact CE1-CB 4.37Å; Y22-V141 HydrophobicContact CE1-CG1 3.54Å; Y22-V141 HydrophobicContact CE1-CG2 3.87Å |
| 23 | T | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 172.6 | 32.9 | 0 | 0 | 0 | 0 | 112.9 | A19 R20 Y26 Y27 H124 V141 S145 | A19-T23 PolarHBondContact O-N 2.83Å; A19-T23 PolarHBondContact O-OG1 3.31Å; R20-T23 WeakPolarHBondContact CA-OG1 3.46Å; R20-T23 PolarHBondContact O-N 3.4Å; R20-T23 PolarHBondContact O-OG1 2.97Å; T23-Y26 PolarHBondContact O-N 2.85Å; T23-Y27 HydrophobicContact CG2-CE2 4.47Å; T23-Y27 WeakPolarHBondContact O-CD2 3.23Å; T23-Y27 PolarHBondContact O-N 3Å; T23-H124 PolarHBondContact OG1-CE1 3.4Å; T23-V141 HydrophobicContact CG2-CG1 3.91Å; T23-S145 VanDerWaalsContact CG2-CB 3.48Å; T23-S145 PolarHBondContact OG1-OG 3.43Å |
| 24 | V | 93.1 | Very high | 92.1 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.3 | -51.1 | 176.6 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | R20 L21 Y22 Y26 Y27 F28 A39 L40 | R20-V24 PolarHBondContact O-N 3.48Å; L21-V24 PolarHBondContact O-N 3.31Å; Y22-V24 VanDerWaalsContact C-N 3.34Å; Y22-V24 PolarHBondContact O-N 2.98Å; V24-Y26 VanDerWaalsContact C-N 3.35Å; V24-Y26 PolarHBondContact O-N 3.44Å; V24-Y27 PolarHBondContact O-N 3.37Å; V24-F28 HydrophobicContact CG1-CD2 3.92Å; V24-F28 HydrophobicContact CG1-CE2 3.68Å; V24-F28 WeakPolarHBondContact O-CD2 3.46Å; V24-F28 PolarHBondContact O-N 3.24Å; V24-A39 HydrophobicContact CG2-CB 3.82Å; V24-L40 HydrophobicContact CG1-CB 4.42Å |
| 25 | A | 93.4 | Very high | 92.2 | Very high | 52 Ų | 52 | 54.8 Ų | 54.8 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59 | -44.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L21 Y22 Y27 F28 T29 | L21-A25 PolarHBondContact O-N 2.88Å; Y22-A25 PolarHBondContact O-N 2.94Å; A25-Y27 PolarHBondContact O-N 3.11Å; A25-F28 PolarHBondContact O-N 2.95Å; A25-T29 PolarHBondContact O-N 2.84Å; A25-T29 PolarHBondContact O-OG1 3.35Å |
| 26 | Y | 93.8 | Very high | 92.2 | Very high | 46 Ų | 46 | 53.9 Ų | 53.9 | 18% | 0.18 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60 | -41.6 | 178.8 | 174.5 | -103.9 | 0 | 0 | 0 | 113 | Y22 T23 V24 T29 T30 R32 D139 V141 | Y22-Y26 WeakPolarHBondContact O-CB 3.49Å; Y22-Y26 PolarHBondContact O-N 2.88Å; T23-Y26 PolarHBondContact O-N 2.85Å; V24-Y26 VanDerWaalsContact C-N 3.35Å; V24-Y26 PolarHBondContact O-N 3.44Å; Y26-T29 PolarHBondContact O-OG1 3.44Å; Y26-T30 VanDerWaalsContact O-CB 3.27Å; Y26-T30 WeakPolarHBondContact O-CB 3.46Å; Y26-T30 PolarHBondContact O-N 2.75Å; Y26-T30 PolarHBondContact O-OG1 2.78Å; Y26-R32 PolarHBondContact OH-NH2 3.46Å; Y26-D139 PolarHBondContact OH-OD1 2.95Å; Y26-V141 HydrophobicContact CD1-CB 4.16Å; Y26-V141 HydrophobicContact CD1-CG1 3.91Å; Y26-V141 HydrophobicContact CD2-CG2 4.33Å; Y26-V141 HydrophobicContact CE1-CB 4.17Å; Y26-V141 HydrophobicContact CE1-CG1 4.43Å; Y26-V141 HydrophobicContact CE2-CG2 4.25Å; Y26-V141 HydrophobicContact CG-CB 4.4Å; Y26-V141 HydrophobicContact CG-CG1 3.96Å |
| 27 | Y | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.6 | -37.6 | 176.3 | -67.3 | -51.8 | 0 | 0 | 0 | 112.4 | T23 V24 A25 G31 R32 W35 A39 Q128 V131 P142 | T23-Y27 HydrophobicContact CG2-CE2 4.47Å; T23-Y27 WeakPolarHBondContact O-CD2 3.23Å; T23-Y27 PolarHBondContact O-N 3Å; V24-Y27 PolarHBondContact O-N 3.37Å; A25-Y27 PolarHBondContact O-N 3.11Å; Y27-G31 PolarHBondContact O-N 2.73Å; Y27-R32 HydrophobicContact CD1-CB 4.15Å; Y27-R32 CarbonylContact O-C 3.58Å; Y27-R32 WeakPolarHBondContact O-CA 3.18Å; Y27-R32 PolarHBondContact O-N 2.9Å; Y27-W35 HydrophobicContact CD1-CB 3.76Å; Y27-W35 HydrophobicContact CD2-CB 4.07Å; Y27-W35 HydrophobicContact CE1-CB 4.05Å; Y27-W35 HydrophobicContact CE2-CB 4.36Å; Y27-W35 HydrophobicContact CG-CB 3.78Å; Y27-A39 HydrophobicContact CD2-CB 4.35Å; Y27-Q128 PolarHBondContact OH-OE1 3.12Å; Y27-V131 HydrophobicContact CE1-CG1 4.12Å; Y27-V131 WeakPolarHBondContact OH-CG1 3.41Å; Y27-P142 HydrophobicContact CE1-CG 4.48Å; Y27-P142 VanDerWaalsContact OH-CG 3.29Å; Y27-P142 WeakPolarHBondContact OH-CG 3.4Å |
| 28 | F | 93.8 | Very high | 92.4 | Very high | 70 Ų | 70 | 63.9 Ų | 63.9 | 31% | 0.307 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 174.9 | -74.7 | -64.1 | 0 | 0 | 0 | 112.5 | V24 A25 T30 G31 L33 W37 L40 | V24-F28 HydrophobicContact CG1-CD2 3.92Å; V24-F28 HydrophobicContact CG1-CE2 3.68Å; V24-F28 WeakPolarHBondContact O-CD2 3.46Å; V24-F28 PolarHBondContact O-N 3.24Å; A25-F28 PolarHBondContact O-N 2.95Å; F28-T30 VanDerWaalsContact C-N 3.33Å; F28-T30 PolarHBondContact O-N 2.88Å; F28-G31 PolarHBondContact O-N 3.21Å; F28-G31 VanDerWaalsContact O-N 3.11Å; F28-L33 HydrophobicContact CD1-CD2 3.75Å; F28-L33 HydrophobicContact CE1-CD2 4.18Å; F28-W37 HydrophobicContact CE1-CD2 4.49Å; F28-W37 HydrophobicContact CZ-CD2 4.26Å; F28-W37 HydrophobicContact CZ-CG 4.47Å; F28-L40 HydrophobicContact CZ-CD2 4.49Å |
| 29 | T | 93.2 | Very high | 92.4 | Very high | 120 Ų | 120 | 60.5 Ų | 60.5 | 74% | 0.736 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -69 | -29.4 | 178.1 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | A25 Y26 G31 | A25-T29 PolarHBondContact O-N 2.84Å; A25-T29 PolarHBondContact O-OG1 3.35Å; Y26-T29 PolarHBondContact O-OG1 3.44Å; T29-G31 PolarHBondContact O-N 3.48Å |
| 30 | T | 90.6 | Very high | 92.3 | Very high | 64 Ų | 64 | 63.3 Ų | 63.3 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 6.5 | 173.5 | -42.9 | 0 | 0 | 0 | 0 | 112.4 | Y26 F28 R32 | Y26-T30 VanDerWaalsContact O-CB 3.27Å; Y26-T30 WeakPolarHBondContact O-CB 3.46Å; Y26-T30 PolarHBondContact O-N 2.75Å; Y26-T30 PolarHBondContact O-OG1 2.78Å; F28-T30 VanDerWaalsContact C-N 3.33Å; F28-T30 PolarHBondContact O-N 2.88Å; T30-R32 HydrophobicContact CG2-CG 4.27Å; T30-R32 PolarHBondContact O-N 3.26Å; T30-R32 VanDerWaalsContact O-N 3.09Å |
| 31 | G | 89.2 | Confident | 92.4 | Very high | 55 Ų | 55 | 66 Ų | 66 | 57% | 0.567 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 8.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y27 F28 T29 L33 | Y27-G31 PolarHBondContact O-N 2.73Å; F28-G31 PolarHBondContact O-N 3.21Å; F28-G31 VanDerWaalsContact O-N 3.11Å; T29-G31 PolarHBondContact O-N 3.48Å; G31-L33 PolarHBondContact O-N 3.46Å |
| 32 | R | 90.9 | Very high | 92.3 | Very high | 64 Ų | 64 | 61.9 Ų | 61.9 | 24% | 0.242 | 33% | 0.328 | C | S | . | . | trans | -80.8 | 55 | -178.9 | -73.2 | -161.8 | -93.9 | -167.9 | -5 | 110.9 | Y26 Y27 T30 L34 W35 G36 D139 | Y26-R32 PolarHBondContact OH-NH2 3.46Å; Y27-R32 HydrophobicContact CD1-CB 4.15Å; Y27-R32 CarbonylContact O-C 3.58Å; Y27-R32 WeakPolarHBondContact O-CA 3.18Å; Y27-R32 PolarHBondContact O-N 2.9Å; T30-R32 HydrophobicContact CG2-CG 4.27Å; T30-R32 PolarHBondContact O-N 3.26Å; T30-R32 VanDerWaalsContact O-N 3.09Å; R32-L34 VanDerWaalsContact C-N 3.33Å; R32-L34 PolarHBondContact O-N 3.16Å; R32-L34 VanDerWaalsContact O-N 3.16Å; R32-W35 PolarHBondContact O-N 3.1Å; R32-G36 PolarHBondContact O-N 3.35Å; R32-G36 VanDerWaalsContact O-N 3.13Å; R32-D139 IonicContact CZ-OD1 3.38Å; R32-D139 IonicContact CZ-OD2 2.73Å; R32-D139 IonicContact NH1-OD1 3.2Å; R32-D139 IonicContact NH1-OD2 2.95Å; R32-D139 PolarHBondContact NH1-OD2 2.75Å; R32-D139 IonicContact NH2-OD1 3.87Å; R32-D139 PolarHBondContact NH2-OD1 2.92Å; R32-D139 IonicContact NH2-OD2 3.54Å; R32-D139 PolarHBondContact NH2-OD2 2.82Å | ||
| 33 | L | 91.4 | Very high | 92.1 | Very high | 97 Ų | 97 | 55.8 Ų | 55.8 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -52.4 | -41.6 | -167.4 | -62.1 | -177.4 | 0 | 0 | 0 | 114.3 | F28 G31 W35 G36 W37 | F28-L33 HydrophobicContact CD1-CD2 3.75Å; F28-L33 HydrophobicContact CE1-CD2 4.18Å; G31-L33 PolarHBondContact O-N 3.46Å; L33-W35 VanDerWaalsContact C-N 3.31Å; L33-W35 PolarHBondContact O-N 3.04Å; L33-G36 PolarHBondContact O-N 2.98Å; L33-W37 PolarHBondContact O-N 2.92Å |
| 34 | L | 92.6 | Very high | 91.9 | Very high | 125 Ų | 125 | 61.8 Ų | 61.8 | 65% | 0.654 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.2 | -43.4 | 178.3 | -178.5 | 66 | 0 | 0 | 0 | 112.1 | R32 L38 | R32-L34 VanDerWaalsContact C-N 3.33Å; R32-L34 PolarHBondContact O-N 3.16Å; R32-L34 VanDerWaalsContact O-N 3.16Å; L34-L38 VanDerWaalsContact O-CB 3.29Å; L34-L38 WeakPolarHBondContact O-CB 3.31Å; L34-L38 PolarHBondContact O-N 3Å |
| 35 | W | 91.8 | Very high | 91.6 | Very high | 65 Ų | 65 | 63.5 Ų | 63.5 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -73 | -33.6 | 178.9 | -59.6 | 111.3 | 0 | 0 | 0 | 111.8 | Y27 R32 L33 L38 A39 L127 Y130 V131 | Y27-W35 HydrophobicContact CD1-CB 3.76Å; Y27-W35 HydrophobicContact CD2-CB 4.07Å; Y27-W35 HydrophobicContact CE1-CB 4.05Å; Y27-W35 HydrophobicContact CE2-CB 4.36Å; Y27-W35 HydrophobicContact CG-CB 3.78Å; R32-W35 PolarHBondContact O-N 3.1Å; L33-W35 VanDerWaalsContact C-N 3.31Å; L33-W35 PolarHBondContact O-N 3.04Å; W35-L38 HydrophobicContact CE3-CD2 4.28Å; W35-L38 HydrophobicContact CZ3-CD2 4.03Å; W35-A39 VanDerWaalsContact O-CB 3.23Å; W35-A39 WeakPolarHBondContact O-CB 3.2Å; W35-A39 PolarHBondContact O-N 3.4Å; W35-L127 HydrophobicContact CE3-CD1 3.9Å; W35-L127 HydrophobicContact CZ3-CD1 3.81Å; W35-Y130 AromaticContact CH2-CD1 3.83Å; W35-Y130 HydrophobicContact CH2-CD1 3.83Å; W35-Y130 AromaticContact CH2-CE1 3.44Å; W35-Y130 HydrophobicContact CH2-CE1 3.44Å; W35-Y130 VanDerWaalsContact CH2-CE1 3.44Å; W35-Y130 HydrophobicContact CZ2-CE1 4.06Å; W35-Y130 HydrophobicContact CZ3-CD1 4.04Å; W35-Y130 HydrophobicContact CZ3-CE1 4.13Å; W35-V131 HydrophobicContact CD2-CG2 3.91Å; W35-V131 HydrophobicContact CE3-CG2 3.55Å; W35-V131 HydrophobicContact CZ3-CG2 3.9Å |
| 36 | G | 91.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.2 | -49.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R32 L33 A39 L40 | R32-G36 PolarHBondContact O-N 3.35Å; R32-G36 VanDerWaalsContact O-N 3.13Å; L33-G36 PolarHBondContact O-N 2.98Å; G36-A39 PolarHBondContact O-N 3.25Å; G36-L40 VanDerWaalsContact O-CB 3.28Å; G36-L40 WeakPolarHBondContact O-CB 3.49Å; G36-L40 PolarHBondContact O-N 2.96Å |
| 37 | W | 93.4 | Very high | 90.8 | Very high | 159 Ų | 159 | 63.1 Ų | 63.1 | 60% | 0.602 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64 | -40.1 | 176.2 | -76.7 | 117.3 | 0 | 0 | 0 | 112.8 | F28 L33 L40 A41 | F28-W37 HydrophobicContact CE1-CD2 4.49Å; F28-W37 HydrophobicContact CZ-CD2 4.26Å; F28-W37 HydrophobicContact CZ-CG 4.47Å; L33-W37 PolarHBondContact O-N 2.92Å; W37-L40 HydrophobicContact CE3-CD2 3.89Å; W37-L40 HydrophobicContact CZ3-CD2 3.75Å; W37-L40 PolarHBondContact O-N 3.49Å; W37-A41 WeakPolarHBondContact O-CB 3.41Å; W37-A41 PolarHBondContact O-N 3.48Å |
| 38 | L | 93.4 | Very high | 90.5 | Very high | 77 Ų | 77 | 68.3 Ų | 68.3 | 40% | 0.403 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.9 | -40.2 | 178.3 | -173.2 | 53.6 | 0 | 0 | 0 | 111.9 | L34 W35 L40 A41 V42 L127 | L34-L38 VanDerWaalsContact O-CB 3.29Å; L34-L38 WeakPolarHBondContact O-CB 3.31Å; L34-L38 PolarHBondContact O-N 3Å; W35-L38 HydrophobicContact CE3-CD2 4.28Å; W35-L38 HydrophobicContact CZ3-CD2 4.03Å; L38-L40 VanDerWaalsContact C-N 3.34Å; L38-A41 PolarHBondContact O-N 3.25Å; L38-V42 WeakPolarHBondContact O-CG2 3.49Å; L38-V42 PolarHBondContact O-N 2.99Å; L38-V42 VanDerWaalsContact O-N 3.12Å; L38-L127 HydrophobicContact CB-CD2 4.43Å; L38-L127 HydrophobicContact CD2-CD1 3.56Å; L38-L127 HydrophobicContact CG-CD1 3.88Å; L38-L127 HydrophobicContact CG-CD2 3.99Å |
| 39 | A | 90.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.2 | -33.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V24 Y27 W35 G36 L127 | V24-A39 HydrophobicContact CG2-CB 3.82Å; Y27-A39 HydrophobicContact CD2-CB 4.35Å; W35-A39 VanDerWaalsContact O-CB 3.23Å; W35-A39 WeakPolarHBondContact O-CB 3.2Å; W35-A39 PolarHBondContact O-N 3.4Å; G36-A39 PolarHBondContact O-N 3.25Å; A39-L127 HydrophobicContact CB-CD2 4Å |
| 40 | L | 91.4 | Very high | 89.8 | Confident | 70 Ų | 70 | 59.4 Ų | 59.4 | 37% | 0.366 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.5 | -41.3 | 173.6 | -178.9 | 58.6 | 0 | 0 | 0 | 112.2 | V24 F28 G36 W37 L38 V42 L43 | V24-L40 HydrophobicContact CG1-CB 4.42Å; F28-L40 HydrophobicContact CZ-CD2 4.49Å; G36-L40 VanDerWaalsContact O-CB 3.28Å; G36-L40 WeakPolarHBondContact O-CB 3.49Å; G36-L40 PolarHBondContact O-N 2.96Å; W37-L40 HydrophobicContact CE3-CD2 3.89Å; W37-L40 HydrophobicContact CZ3-CD2 3.75Å; W37-L40 PolarHBondContact O-N 3.49Å; L38-L40 VanDerWaalsContact C-N 3.34Å; L40-V42 VanDerWaalsContact C-N 3.27Å; L40-V42 PolarHBondContact O-N 3.49Å; L40-L43 HydrophobicContact CD1-CD1 4.1Å; L40-L43 VanDerWaalsContact O-CB 3.32Å; L40-L43 WeakPolarHBondContact O-CB 3.36Å; L40-L43 PolarHBondContact O-N 3.2Å |
| 41 | A | 92.4 | Very high | 89.5 | Confident | 57 Ų | 57 | 58.2 Ų | 58.2 | 47% | 0.471 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W37 L38 L43 L44 | W37-A41 WeakPolarHBondContact O-CB 3.41Å; W37-A41 PolarHBondContact O-N 3.48Å; L38-A41 PolarHBondContact O-N 3.25Å; A41-L43 PolarHBondContact O-N 2.81Å; A41-L44 VanDerWaalsContact O-CB 3.22Å; A41-L44 WeakPolarHBondContact O-CB 3.26Å; A41-L44 PolarHBondContact O-N 3.44Å |
| 42 | V | 91.1 | Very high | 89.3 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 12% | 0.115 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.2 | 171.6 | 163.8 | 0 | 0 | 0 | 0 | 112.9 | L38 L40 L44 P45 Q120 P123 H124 L127 | L38-V42 WeakPolarHBondContact O-CG2 3.49Å; L38-V42 PolarHBondContact O-N 2.99Å; L38-V42 VanDerWaalsContact O-N 3.12Å; L40-V42 VanDerWaalsContact C-N 3.27Å; L40-V42 PolarHBondContact O-N 3.49Å; V42-L44 VanDerWaalsContact C-N 3.34Å; V42-P45 WeakPolarHBondContact O-CD 3.35Å; V42-Q120 WeakPolarHBondContact CG1-O 3.38Å; V42-Q120 WeakPolarHBondContact O-CG 3.47Å; V42-P123 HydrophobicContact CG1-CB 4.12Å; V42-P123 HydrophobicContact CG2-CB 4.12Å; V42-H124 HydrophobicContact CG1-CB 3.72Å; V42-L127 HydrophobicContact CG2-CD2 4.32Å |
| 43 | L | 88.2 | Confident | 89.1 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -15.4 | 172.9 | -48.5 | -174.3 | 0 | 0 | 0 | 113.7 | R20 L40 A41 G46 Q75 Q120 | R20-L43 HydrophobicContact CG-CD2 3.88Å; L40-L43 HydrophobicContact CD1-CD1 4.1Å; L40-L43 VanDerWaalsContact O-CB 3.32Å; L40-L43 WeakPolarHBondContact O-CB 3.36Å; L40-L43 PolarHBondContact O-N 3.2Å; A41-L43 PolarHBondContact O-N 2.81Å; L43-G46 PolarHBondContact O-N 3.34Å; L43-G46 VanDerWaalsContact O-N 3.13Å; L43-Q75 PolarHBondContact O-NE2 2.99Å; L43-Q120 HydrophobicContact CD2-CG 4.41Å |
| 44 | L | 88.8 | Confident | 88.7 | Confident | 125 Ų | 125 | 54 Ų | 54 | 65% | 0.654 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -42.7 | -173.5 | -168.6 | 71.1 | 0 | 0 | 0 | 113.8 | A41 V42 G46 F47 | A41-L44 VanDerWaalsContact O-CB 3.22Å; A41-L44 WeakPolarHBondContact O-CB 3.26Å; A41-L44 PolarHBondContact O-N 3.44Å; V42-L44 VanDerWaalsContact C-N 3.34Å; L44-G46 PolarHBondContact O-N 2.89Å; L44-F47 HydrophobicContact CD1-CD2 4.15Å; L44-F47 HydrophobicContact CD1-CE2 4.41Å; L44-F47 WeakPolarHBondContact O-CD2 3.06Å; L44-F47 PolarHBondContact O-N 2.94Å |
| 45 | P | 87.6 | Confident | 88.3 | Confident | 53 Ų | 53 | 51.5 Ų | 51.5 | 34% | 0.344 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24.2 | 174 | -24.5 | 36.5 | 0 | 0 | 0 | 113.8 | V42 F47 L48 L119 | V42-P45 WeakPolarHBondContact O-CD 3.35Å; P45-F47 VanDerWaalsContact C-N 3.25Å; P45-F47 PolarHBondContact O-N 3.46Å; P45-L48 WeakPolarHBondContact O-CB 3.42Å; P45-L48 PolarHBondContact O-N 3.37Å; P45-L119 HydrophobicContact CB-CB 3.97Å; P45-L119 HydrophobicContact CB-CD2 4.41Å; P45-L119 HydrophobicContact CB-CG 4.34Å |
| 46 | G | 84.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.4 | -35.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L43 L44 L48 V49 Q50 | L43-G46 PolarHBondContact O-N 3.34Å; L43-G46 VanDerWaalsContact O-N 3.13Å; L44-G46 PolarHBondContact O-N 2.89Å; G46-L48 PolarHBondContact O-N 2.89Å; G46-V49 PolarHBondContact O-N 3.43Å; G46-V49 VanDerWaalsContact O-N 3.08Å; G46-Q50 WeakPolarHBondContact O-CG 3.4Å; G46-Q50 PolarHBondContact O-N 3.12Å |
| 47 | F | 86.3 | Confident | 87 | Confident | 90 Ų | 90 | 49.3 Ų | 49.3 | 40% | 0.395 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62 | -29.7 | 178.8 | -67.8 | -72.6 | 0 | 0 | 0 | 113.5 | L44 P45 Q50 G51 L73 Q75 | L44-F47 HydrophobicContact CD1-CD2 4.15Å; L44-F47 HydrophobicContact CD1-CE2 4.41Å; L44-F47 WeakPolarHBondContact O-CD2 3.06Å; L44-F47 PolarHBondContact O-N 2.94Å; P45-F47 VanDerWaalsContact C-N 3.25Å; P45-F47 PolarHBondContact O-N 3.46Å; F47-Q50 PolarHBondContact O-N 3.42Å; F47-G51 PolarHBondContact O-N 2.97Å; F47-L73 WeakPolarHBondContact CE1-O 3.25Å; F47-Q75 HydrophobicContact CD1-CG 4.37Å; F47-Q75 HydrophobicContact CE1-CG 3.98Å; F47-Q75 VanDerWaalsContact CE2-NE2 3.31Å; F47-Q75 HydrophobicContact CZ-CG 4.29Å |
| 48 | L | 86.6 | Confident | 86.3 | Confident | 111 Ų | 111 | 49.8 Ų | 49.8 | 58% | 0.581 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66 | -41.8 | 175.3 | -165.6 | 159 | 0 | 0 | 0 | 110.5 | P45 G46 G51 L52 | P45-L48 WeakPolarHBondContact O-CB 3.42Å; P45-L48 PolarHBondContact O-N 3.37Å; G46-L48 PolarHBondContact O-N 2.89Å; L48-G51 PolarHBondContact O-N 2.93Å; L48-L52 HydrophobicContact CD2-CD1 3.84Å; L48-L52 HydrophobicContact CD2-CG 4.44Å; L48-L52 PolarHBondContact O-N 3.42Å |
| 49 | V | 85.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.7 | -35.6 | 176.3 | -168.9 | 0 | 0 | 0 | 0 | 111.6 | G46 G51 L52 S53 L112 L115 E116 L119 | G46-V49 PolarHBondContact O-N 3.43Å; G46-V49 VanDerWaalsContact O-N 3.08Å; V49-G51 VanDerWaalsContact C-N 3.35Å; V49-L52 PolarHBondContact O-N 3.27Å; V49-S53 WeakPolarHBondContact O-CB 3.33Å; V49-S53 PolarHBondContact O-N 3Å; V49-L112 HydrophobicContact CG1-CD2 4.13Å; V49-L115 HydrophobicContact CG1-CB 4.36Å; V49-L115 HydrophobicContact CG1-CD2 4.28Å; V49-L115 HydrophobicContact CG1-CG 4.47Å; V49-L115 HydrophobicContact CG2-CB 4.45Å; V49-L115 HydrophobicContact CG2-CD2 3.96Å; V49-L115 HydrophobicContact CG2-CG 3.85Å; V49-E116 HydrophobicContact CG1-CB 4.05Å; V49-L119 HydrophobicContact CG2-CD2 3.9Å |
| 50 | Q | 86.9 | Confident | 84.4 | Confident | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 172.1 | -61.3 | -65.9 | -24 | 0 | 0 | 111.8 | G46 F47 S53 Y54 H72 Q75 G77 | G46-Q50 WeakPolarHBondContact O-CG 3.4Å; G46-Q50 PolarHBondContact O-N 3.12Å; F47-Q50 PolarHBondContact O-N 3.42Å; Q50-S53 PolarHBondContact O-N 3.45Å; Q50-Y54 WeakPolarHBondContact O-CB 3.44Å; Q50-Y54 PolarHBondContact O-N 3.19Å; Q50-H72 HydrophobicContact CB-CB 4.39Å; Q50-H72 PolarHBondContact O-ND1 3.2Å; Q50-Q75 HydrophobicContact CG-CB 4.25Å; Q50-Q75 HydrophobicContact CG-CG 4.3Å; Q50-Q75 PolarHBondContact NE2-O 2.76Å; Q50-G77 VanDerWaalsContact OE1-CA 3.26Å; Q50-G77 VanDerWaalsContact OE1-N 3.1Å |
| 51 | G | 84.3 | Confident | 83.3 | Confident | 39 Ų | 39 | 50.8 Ų | 50.8 | 40% | 0.402 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F47 L48 V49 Y54 L55 | F47-G51 PolarHBondContact O-N 2.97Å; L48-G51 PolarHBondContact O-N 2.93Å; V49-G51 VanDerWaalsContact C-N 3.35Å; G51-Y54 PolarHBondContact O-N 2.94Å; G51-L55 PolarHBondContact O-N 2.99Å |
| 52 | L | 84.1 | Confident | 82.1 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 170.5 | -74 | 167 | 0 | 0 | 0 | 111.4 | L48 V49 Y54 L55 W56 L112 L115 | L48-L52 HydrophobicContact CD2-CD1 3.84Å; L48-L52 HydrophobicContact CD2-CG 4.44Å; L48-L52 PolarHBondContact O-N 3.42Å; V49-L52 PolarHBondContact O-N 3.27Å; L52-Y54 VanDerWaalsContact C-N 3.28Å; L52-Y54 PolarHBondContact O-N 3.45Å; L52-L55 PolarHBondContact O-N 3.12Å; L52-W56 VanDerWaalsContact O-CD1 3.25Å; L52-W56 PolarHBondContact O-N 2.87Å; L52-L112 HydrophobicContact CB-CD2 4.17Å; L52-L115 HydrophobicContact CD1-CD2 3.61Å |
| 53 | S | 86.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.2 | -32.5 | 177.8 | -173.3 | 0 | 0 | 0 | 0 | 113 | V49 Q50 F57 | V49-S53 WeakPolarHBondContact O-CB 3.33Å; V49-S53 PolarHBondContact O-N 3Å; Q50-S53 PolarHBondContact O-N 3.45Å; S53-F57 WeakPolarHBondContact O-CB 3.25Å; S53-F57 PolarHBondContact O-N 2.99Å |
| 54 | Y | 83.6 | Confident | 79.5 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 27% | 0.271 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.4 | -43 | 175.9 | 174.1 | -109.1 | 0 | 0 | 0 | 111.7 | Q50 G51 L52 W56 F57 R58 L68 V69 H72 | Q50-Y54 WeakPolarHBondContact O-CB 3.44Å; Q50-Y54 PolarHBondContact O-N 3.19Å; G51-Y54 PolarHBondContact O-N 2.94Å; L52-Y54 VanDerWaalsContact C-N 3.28Å; L52-Y54 PolarHBondContact O-N 3.45Å; Y54-W56 VanDerWaalsContact C-N 3.26Å; Y54-W56 PolarHBondContact O-N 3.03Å; Y54-F57 PolarHBondContact O-N 3.26Å; Y54-R58 PolarHBondContact O-N 2.74Å; Y54-L68 HydrophobicContact CD2-CD2 4.07Å; Y54-L68 HydrophobicContact CD2-CG 4.17Å; Y54-L68 HydrophobicContact CE2-CD2 3.85Å; Y54-L68 HydrophobicContact CE2-CG 4.16Å; Y54-V69 HydrophobicContact CE2-CG2 4Å; Y54-H72 VanDerWaalsContact CA-CE1 3.46Å; Y54-H72 WeakPolarHBondContact CA-CE1 3.4Å; Y54-H72 AromaticContact CD2-CD2 3.66Å; Y54-H72 AromaticContact CD2-NE2 3.94Å; Y54-H72 PolarHBondContact N-CE1 2.99Å; Y54-H72 VanDerWaalsContact N-CE1 3.3Å |
| 55 | L | 83.3 | Confident | 79 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 38% | 0.382 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.1 | -43.7 | 174.4 | -178.3 | 61.7 | 0 | 0 | 0 | 110.5 | G51 L52 R58 A59 | G51-L55 PolarHBondContact O-N 2.99Å; L52-L55 PolarHBondContact O-N 3.12Å; L55-R58 PolarHBondContact O-N 3.28Å; L55-A59 PolarHBondContact O-N 3.34Å; L55-A59 VanDerWaalsContact O-N 3.12Å |
| 56 | W | 79.8 | Confident | 78.6 | Confident | 13 Ų | 13 | 62.9 Ų | 62.9 | 5% | 0.049 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.3 | -44.1 | 177 | -58.9 | 3.2 | 0 | 0 | 0 | 112 | L52 Y54 R58 A59 D60 D108 L112 H403 W407 | L52-W56 VanDerWaalsContact O-CD1 3.25Å; L52-W56 PolarHBondContact O-N 2.87Å; Y54-W56 VanDerWaalsContact C-N 3.26Å; Y54-W56 PolarHBondContact O-N 3.03Å; W56-R58 PolarHBondContact O-N 3.31Å; W56-A59 CarbonylContact O-C 3.6Å; W56-A59 PolarHBondContact O-N 2.85Å; W56-D60 PolarHBondContact O-N 3.4Å; W56-D60 VanDerWaalsContact O-OD2 3.05Å; W56-D108 HydrophobicContact CE3-CB 4.03Å; W56-D108 HydrophobicContact CZ3-CB 3.72Å; W56-L112 HydrophobicContact CD2-CD1 4.36Å; W56-L112 HydrophobicContact CE3-CD1 3.57Å; W56-L112 HydrophobicContact CE3-CD2 4.3Å; W56-L112 HydrophobicContact CE3-CG 3.89Å; W56-L112 HydrophobicContact CH2-CD1 4.41Å; W56-L112 HydrophobicContact CH2-CD2 3.94Å; W56-L112 HydrophobicContact CH2-CG 3.79Å; W56-L112 HydrophobicContact CZ2-CD2 4.3Å; W56-L112 HydrophobicContact CZ3-CD1 3.62Å; W56-L112 HydrophobicContact CZ3-CD2 3.99Å; W56-L112 HydrophobicContact CZ3-CG 3.43Å; W56-L112 VanDerWaalsContact CZ3-CG 3.43Å; W56-H403 VanDerWaalsContact CA-CD2 3.45Å; W56-H403 WeakPolarHBondContact CA-CD2 3.43Å; W56-H403 AromaticContact CD1-CD2 3.28Å; W56-H403 AromaticContact CD1-CE1 3.99Å; W56-H403 AromaticContact CD1-CG 3.77Å; W56-H403 AromaticContact CD1-NE2 3.41Å; W56-H403 AromaticContact CG-CD2 3.54Å; W56-W407 AromaticContact CH2-CD1 3.86Å; W56-W407 AromaticContact CH2-NE1 3.16Å; W56-W407 AromaticContact CZ2-NE1 3.32Å; W56-W407 VanDerWaalsContact CZ2-NE1 3.32Å |
| 57 | F | 78.1 | Confident | 78.4 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.5 | -32.5 | 176.6 | -151.5 | -84 | 0 | 0 | 0 | 112.8 | S53 Y54 H62 L68 K80 D84 | S53-F57 WeakPolarHBondContact O-CB 3.25Å; S53-F57 PolarHBondContact O-N 2.99Å; Y54-F57 PolarHBondContact O-N 3.26Å; F57-H62 HydrophobicContact CD1-CB 3.58Å; F57-H62 AromaticContact CD1-CG 3.78Å; F57-H62 HydrophobicContact CE1-CB 3.43Å; F57-H62 VanDerWaalsContact CE1-CB 3.43Å; F57-H62 AromaticContact CE1-CD2 3.37Å; F57-H62 WeakPolarHBondContact CE1-CD2 3.35Å; F57-H62 AromaticContact CE1-CG 3.24Å; F57-H62 AromaticContact CE1-ND1 3.74Å; F57-H62 AromaticContact CE1-NE2 3.9Å; F57-H62 AromaticContact CZ-CD2 3.72Å; F57-H62 AromaticContact CZ-CE1 3.98Å; F57-H62 AromaticContact CZ-CG 3.9Å; F57-H62 AromaticContact CZ-NE2 3.77Å; F57-H62 WeakPolarHBondContact O-CB 3.34Å; F57-L68 HydrophobicContact CD1-CD1 3.66Å; F57-L68 HydrophobicContact CD1-CD2 3.4Å; F57-L68 HydrophobicContact CD1-CG 4.19Å; F57-L68 HydrophobicContact CE1-CD1 3.8Å; F57-L68 HydrophobicContact CE1-CD2 3.95Å; F57-L68 HydrophobicContact CG-CD1 4.06Å; F57-L68 HydrophobicContact CG-CD2 4.22Å; F57-L68 HydrophobicContact CZ-CD1 4.36Å; F57-K80 HydrophobicContact CE2-CD 4.22Å; F57-K80 HydrophobicContact CE2-CG 4.47Å; F57-K80 HydrophobicContact CZ-CD 4.11Å; F57-K80 VanDerWaalsContact CZ-CE 3.42Å; F57-D84 WeakPolarHBondContact CE2-OD2 3.35Å |
| 58 | R | 79.1 | Confident | 78.1 | Confident | 168 Ų | 168 | 62.4 Ų | 62.4 | 63% | 0.634 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -72 | -38.5 | 173.8 | -176.9 | -179.4 | 176.7 | -170 | -2.1 | 112.8 | Y54 L55 W56 D60 G61 | Y54-R58 PolarHBondContact O-N 2.74Å; L55-R58 PolarHBondContact O-N 3.28Å; W56-R58 PolarHBondContact O-N 3.31Å; R58-D60 VanDerWaalsContact C-N 3.35Å; R58-G61 PolarHBondContact O-N 2.96Å |
| 59 | A | 73.4 | Confident | 77.9 | Confident | 44 Ų | 44 | 59.7 Ų | 59.7 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -73 | -28 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L55 W56 G61 H403 | L55-A59 PolarHBondContact O-N 3.34Å; L55-A59 VanDerWaalsContact O-N 3.12Å; W56-A59 CarbonylContact O-C 3.6Å; W56-A59 PolarHBondContact O-N 2.85Å; A59-G61 PolarHBondContact O-N 3.27Å; A59-H403 VanDerWaalsContact CB-CD2 3.47Å; A59-H403 WeakPolarHBondContact CB-CD2 3.44Å; A59-H403 WeakPolarHBondContact CB-NE2 3.41Å |
| 60 | D | 70.9 | Confident | 77.7 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 31% | 0.31 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 24.3 | 168.3 | -59.2 | -38.9 | 0 | 0 | 0 | 112.7 | W56 R58 H62 R81 | W56-D60 PolarHBondContact O-N 3.4Å; W56-D60 VanDerWaalsContact O-OD2 3.05Å; R58-D60 VanDerWaalsContact C-N 3.35Å; D60-H62 VanDerWaalsContact C-N 3.27Å; D60-H62 PolarHBondContact O-N 3.18Å; D60-H62 VanDerWaalsContact O-N 3.16Å; D60-H62 PolarHBondContact O-ND1 3.32Å; D60-R81 IonicContact OD1-NH2 2.77Å; D60-R81 IonicContact OD2-CZ 3.86Å; D60-R81 VanDerWaalsContact OD2-CZ 3.29Å; D60-R81 IonicContact OD2-NH1 3.26Å; D60-R81 PolarHBondContact OD2-NH1 3.17Å; D60-R81 IonicContact OD2-NH2 3.56Å; D60-R81 PolarHBondContact OD2-NH2 3.15Å |
| 61 | G | 67 | Low | 77.5 | Confident | 66 Ų | 66 | 67.8 Ų | 67.8 | 68% | 0.68 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | -3.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | R58 A59 | R58-G61 PolarHBondContact O-N 2.96Å; A59-G61 PolarHBondContact O-N 3.27Å |
| 62 | H | 68.4 | Low | 77.4 | Confident | 92 Ų | 92 | 66.5 Ų | 66.5 | 43% | 0.426 | 37% | 0.37 | S | S | . | . | trans | -79.5 | 130 | -175.5 | -66.8 | 77.5 | 0 | 0 | 0 | 111.8 | F57 D60 | F57-H62 HydrophobicContact CD1-CB 3.58Å; F57-H62 AromaticContact CD1-CG 3.78Å; F57-H62 HydrophobicContact CE1-CB 3.43Å; F57-H62 VanDerWaalsContact CE1-CB 3.43Å; F57-H62 AromaticContact CE1-CD2 3.37Å; F57-H62 WeakPolarHBondContact CE1-CD2 3.35Å; F57-H62 AromaticContact CE1-CG 3.24Å; F57-H62 AromaticContact CE1-ND1 3.74Å; F57-H62 AromaticContact CE1-NE2 3.9Å; F57-H62 AromaticContact CZ-CD2 3.72Å; F57-H62 AromaticContact CZ-CE1 3.98Å; F57-H62 AromaticContact CZ-CG 3.9Å; F57-H62 AromaticContact CZ-NE2 3.77Å; F57-H62 WeakPolarHBondContact O-CB 3.34Å; D60-H62 VanDerWaalsContact C-N 3.27Å; D60-H62 PolarHBondContact O-N 3.18Å; D60-H62 VanDerWaalsContact O-N 3.16Å; D60-H62 PolarHBondContact O-ND1 3.32Å | ||
| 63 | Q | 62.9 | Low | 77.3 | Confident | 153 Ų | 153 | 69.4 Ų | 69.4 | 72% | 0.715 | 39% | 0.385 | S | S | * | . | trans | -68.4 | 146.2 | 175.1 | -63.2 | -157.2 | 5 | 0 | 0 | 111.8 | H65 | Q63-H65 PolarHBondContact O-CD2 3.48Å; Q63-H65 PolarHBondContact O-N 3.3Å | ||
| 64 | G | 62.1 | Low | 77 | Confident | 50 Ų | 50 | 75 Ų | 75 | 52% | 0.515 | 41% | 0.414 | S | S | . | . | trans | -74.4 | 58.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 65 | H | 77.9 | Confident | 76.9 | Confident | 119 Ų | 119 | 72.6 Ų | 72.6 | 55% | 0.551 | 41% | 0.405 | S | S | * | . | trans | -58.7 | 141.8 | 175 | -61.8 | -77.6 | 0 | 0 | 0 | 111 | Q63 S67 L68 V69 | Q63-H65 PolarHBondContact O-CD2 3.48Å; Q63-H65 PolarHBondContact O-N 3.3Å; H65-S67 PolarHBondContact O-N 2.86Å; H65-S67 VanDerWaalsContact O-N 3.11Å; H65-L68 WeakPolarHBondContact O-CB 3.14Å; H65-L68 PolarHBondContact O-N 3.45Å; H65-V69 PolarHBondContact O-N 3.16Å | ||
| 66 | C | 79.2 | Confident | 76.8 | Confident | 109 Ų | 109 | 72.1 Ų | 72.1 | 74% | 0.736 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -54.5 | -34.9 | -179.1 | -172.7 | 0 | 0 | 0 | 0 | 112.9 | L68 V69 M70 | C66-L68 VanDerWaalsContact C-N 3.32Å; C66-L68 PolarHBondContact O-N 3.4Å; C66-V69 PolarHBondContact O-N 3.47Å; C66-M70 WeakPolarHBondContact O-CB 3.38Å; C66-M70 PolarHBondContact O-N 3.42Å |
| 67 | S | 79.4 | Confident | 76.8 | Confident | 75 Ų | 75 | 71.5 Ų | 71.5 | 52% | 0.524 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.6 | -33.9 | 174.2 | 52 | 0 | 0 | 0 | 0 | 114 | H65 L71 | H65-S67 PolarHBondContact O-N 2.86Å; H65-S67 VanDerWaalsContact O-N 3.11Å; S67-L71 WeakPolarHBondContact O-CG 3.37Å; S67-L71 PolarHBondContact O-N 2.98Å; S67-L71 VanDerWaalsContact O-N 3.1Å |
| 68 | L | 81.3 | Confident | 77 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.026 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.7 | -49.1 | 174.5 | 179.5 | 66.3 | 0 | 0 | 0 | 110.4 | Y54 F57 H65 C66 M70 L71 H72 K80 | Y54-L68 HydrophobicContact CD2-CD2 4.07Å; Y54-L68 HydrophobicContact CD2-CG 4.17Å; Y54-L68 HydrophobicContact CE2-CD2 3.85Å; Y54-L68 HydrophobicContact CE2-CG 4.16Å; F57-L68 HydrophobicContact CD1-CD1 3.66Å; F57-L68 HydrophobicContact CD1-CD2 3.4Å; F57-L68 HydrophobicContact CD1-CG 4.19Å; F57-L68 HydrophobicContact CE1-CD1 3.8Å; F57-L68 HydrophobicContact CE1-CD2 3.95Å; F57-L68 HydrophobicContact CG-CD1 4.06Å; F57-L68 HydrophobicContact CG-CD2 4.22Å; F57-L68 HydrophobicContact CZ-CD1 4.36Å; H65-L68 WeakPolarHBondContact O-CB 3.14Å; H65-L68 PolarHBondContact O-N 3.45Å; C66-L68 VanDerWaalsContact C-N 3.32Å; C66-L68 PolarHBondContact O-N 3.4Å; L68-M70 VanDerWaalsContact C-N 3.27Å; L68-M70 PolarHBondContact O-N 2.94Å; L68-L71 WeakPolarHBondContact O-CB 3.29Å; L68-L71 PolarHBondContact O-N 3.14Å; L68-H72 PolarHBondContact O-CD2 3.13Å; L68-H72 VanDerWaalsContact O-CD2 3.24Å; L68-H72 PolarHBondContact O-N 3.46Å; L68-H72 VanDerWaalsContact O-N 3.08Å; L68-K80 HydrophobicContact CD1-CD 4.15Å |
| 69 | V | 81.6 | Confident | 77 | Confident | 54 Ų | 54 | 66.7 Ų | 66.7 | 33% | 0.327 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 177.7 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | Y54 H65 C66 L71 H72 L73 | Y54-V69 HydrophobicContact CE2-CG2 4Å; H65-V69 PolarHBondContact O-N 3.16Å; C66-V69 PolarHBondContact O-N 3.47Å; V69-L71 VanDerWaalsContact C-N 3.34Å; V69-L71 PolarHBondContact O-N 2.91Å; V69-H72 PolarHBondContact O-N 3.36Å; V69-L73 HydrophobicContact CG1-CD1 4.07Å; V69-L73 HydrophobicContact CG1-CG 4.47Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 3.32Å |
| 70 | M | 82.3 | Confident | 77.5 | Confident | 120 Ų | 120 | 67.2 Ų | 67.2 | 59% | 0.591 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.8 | -38.3 | 175.4 | -168.2 | 178.9 | 74.5 | 0 | 0 | 112.9 | C66 L68 L73 L74 | C66-M70 WeakPolarHBondContact O-CB 3.38Å; C66-M70 PolarHBondContact O-N 3.42Å; L68-M70 VanDerWaalsContact C-N 3.27Å; L68-M70 PolarHBondContact O-N 2.94Å; M70-L73 PolarHBondContact O-N 3.16Å; M70-L74 WeakPolarHBondContact O-CB 3.28Å; M70-L74 PolarHBondContact O-N 3.45Å |
| 71 | L | 82.5 | Confident | 78 | Confident | 52 Ų | 52 | 64.6 Ų | 64.6 | 27% | 0.272 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 175 | -75.6 | 166.5 | 0 | 0 | 0 | 112.5 | S67 L68 V69 L74 Q75 L76 G77 K80 | S67-L71 WeakPolarHBondContact O-CG 3.37Å; S67-L71 PolarHBondContact O-N 2.98Å; S67-L71 VanDerWaalsContact O-N 3.1Å; L68-L71 WeakPolarHBondContact O-CB 3.29Å; L68-L71 PolarHBondContact O-N 3.14Å; V69-L71 VanDerWaalsContact C-N 3.34Å; V69-L71 PolarHBondContact O-N 2.91Å; L71-L74 CarbonylContact O-C 3.58Å; L71-L74 PolarHBondContact O-N 3.03Å; L71-Q75 PolarHBondContact O-N 2.9Å; L71-L76 HydrophobicContact CB-CB 4.48Å; L71-L76 HydrophobicContact CD2-CB 3.8Å; L71-L76 HydrophobicContact CD2-CD1 4.02Å; L71-L76 CarbonylContact O-C 3.44Å; L71-L76 WeakPolarHBondContact O-CA 3.24Å; L71-L76 PolarHBondContact O-N 3.06Å; L71-G77 PolarHBondContact O-N 2.94Å; L71-K80 HydrophobicContact CD1-CD 4.01Å |
| 72 | H | 82.7 | Confident | 78.5 | Confident | 12 Ų | 12 | 61.9 Ų | 61.9 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.2 | -37.9 | 174.9 | -73.9 | -84.5 | 0 | 0 | 0 | 112.1 | Q50 Y54 L68 V69 L74 Q75 | Q50-H72 HydrophobicContact CB-CB 4.39Å; Q50-H72 PolarHBondContact O-ND1 3.2Å; Y54-H72 VanDerWaalsContact CA-CE1 3.46Å; Y54-H72 WeakPolarHBondContact CA-CE1 3.4Å; Y54-H72 AromaticContact CD2-CD2 3.66Å; Y54-H72 AromaticContact CD2-NE2 3.94Å; Y54-H72 PolarHBondContact N-CE1 2.99Å; Y54-H72 VanDerWaalsContact N-CE1 3.3Å; L68-H72 PolarHBondContact O-CD2 3.13Å; L68-H72 VanDerWaalsContact O-CD2 3.24Å; L68-H72 PolarHBondContact O-N 3.46Å; L68-H72 VanDerWaalsContact O-N 3.08Å; V69-H72 PolarHBondContact O-N 3.36Å; H72-L74 VanDerWaalsContact C-N 3.31Å; H72-L74 PolarHBondContact O-N 3.15Å; H72-Q75 PolarHBondContact O-N 2.94Å; H72-Q75 VanDerWaalsContact O-N 3.1Å |
| 73 | L | 80.9 | Confident | 79 | Confident | 119 Ų | 119 | 64.5 Ų | 64.5 | 62% | 0.623 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.4 | -32.3 | 172.1 | -71.2 | 170.3 | 0 | 0 | 0 | 112.8 | F47 V69 M70 Q75 | F47-L73 WeakPolarHBondContact CE1-O 3.25Å; V69-L73 HydrophobicContact CG1-CD1 4.07Å; V69-L73 HydrophobicContact CG1-CG 4.47Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 3.32Å; M70-L73 PolarHBondContact O-N 3.16Å; L73-Q75 PolarHBondContact O-N 2.8Å |
| 74 | L | 81 | Confident | 79.8 | Confident | 116 Ų | 116 | 59.1 Ų | 59.1 | 61% | 0.607 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 7.6 | 174.1 | -166.9 | 50.9 | 0 | 0 | 0 | 113.1 | M70 L71 H72 L76 | M70-L74 WeakPolarHBondContact O-CB 3.28Å; M70-L74 PolarHBondContact O-N 3.45Å; L71-L74 CarbonylContact O-C 3.58Å; L71-L74 PolarHBondContact O-N 3.03Å; H72-L74 VanDerWaalsContact C-N 3.31Å; H72-L74 PolarHBondContact O-N 3.15Å; L74-L76 HydrophobicContact CB-CD1 4.48Å; L74-L76 HydrophobicContact CB-CG 4.45Å; L74-L76 HydrophobicContact CD2-CD1 3.84Å; L74-L76 HydrophobicContact CG-CD1 3.98Å; L74-L76 HydrophobicContact CG-CG 4.19Å; L74-L76 PolarHBondContact O-N 3.12Å |
| 75 | Q | 80.4 | Confident | 80.5 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 9% | 0.089 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 15.8 | -175.6 | -51.2 | -166.5 | -16.8 | 0 | 0 | 115.4 | L43 F47 Q50 L71 H72 L73 | L43-Q75 PolarHBondContact O-NE2 2.99Å; F47-Q75 HydrophobicContact CD1-CG 4.37Å; F47-Q75 HydrophobicContact CE1-CG 3.98Å; F47-Q75 VanDerWaalsContact CE2-NE2 3.31Å; F47-Q75 HydrophobicContact CZ-CG 4.29Å; Q50-Q75 HydrophobicContact CG-CB 4.25Å; Q50-Q75 HydrophobicContact CG-CG 4.3Å; Q50-Q75 PolarHBondContact NE2-O 2.76Å; L71-Q75 PolarHBondContact O-N 2.9Å; H72-Q75 PolarHBondContact O-N 2.94Å; H72-Q75 VanDerWaalsContact O-N 3.1Å; L73-Q75 PolarHBondContact O-N 2.8Å |
| 76 | L | 81.1 | Confident | 80.5 | Confident | 63 Ų | 63 | 52.8 Ų | 52.8 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | trans | -91.4 | 4.7 | 176.4 | -63.4 | 177.9 | 0 | 0 | 0 | 113.7 | L71 L74 W79 K80 | L71-L76 HydrophobicContact CB-CB 4.48Å; L71-L76 HydrophobicContact CD2-CB 3.8Å; L71-L76 HydrophobicContact CD2-CD1 4.02Å; L71-L76 CarbonylContact O-C 3.44Å; L71-L76 WeakPolarHBondContact O-CA 3.24Å; L71-L76 PolarHBondContact O-N 3.06Å; L74-L76 HydrophobicContact CB-CD1 4.48Å; L74-L76 HydrophobicContact CB-CG 4.45Å; L74-L76 HydrophobicContact CD2-CD1 3.84Å; L74-L76 HydrophobicContact CG-CD1 3.98Å; L74-L76 HydrophobicContact CG-CG 4.19Å; L74-L76 PolarHBondContact O-N 3.12Å; L76-W79 HydrophobicContact CB-CB 4.49Å; L76-W79 HydrophobicContact CD2-CB 4.34Å; L76-W79 WeakPolarHBondContact O-CB 3.24Å; L76-W79 PolarHBondContact O-N 2.86Å; L76-K80 PolarHBondContact O-N 3.44Å | ||
| 77 | G | 81.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q50 L71 W79 K80 R81 | Q50-G77 VanDerWaalsContact OE1-CA 3.26Å; Q50-G77 VanDerWaalsContact OE1-N 3.1Å; L71-G77 PolarHBondContact O-N 2.94Å; G77-W79 VanDerWaalsContact C-N 3.29Å; G77-W79 PolarHBondContact O-N 2.85Å; G77-K80 PolarHBondContact O-N 2.83Å; G77-R81 PolarHBondContact O-N 3.21Å |
| 78 | V | 80.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.6 | -37.4 | 173.1 | -178.6 | 0 | 0 | 0 | 0 | 111.2 | R81 H82 L109 | V78-R81 PolarHBondContact O-N 3.29Å; V78-H82 PolarHBondContact O-N 3.04Å; V78-L109 HydrophobicContact CG1-CD1 4.41Å |
| 79 | W | 80.8 | Confident | 79.8 | Confident | 75 Ų | 75 | 48.9 Ų | 48.9 | 28% | 0.284 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 174.9 | -177.8 | -101.7 | 0 | 0 | 0 | 111.7 | A10 Q13 A14 L76 G77 H82 W83 | A10-W79 HydrophobicContact CB-CH2 3.96Å; A10-W79 HydrophobicContact CB-CZ3 4.19Å; A10-W79 VanDerWaalsContact O-CH2 3.29Å; A10-W79 WeakPolarHBondContact O-CH2 3.39Å; A10-W79 WeakPolarHBondContact O-CZ3 3.39Å; Q13-W79 HydrophobicContact CB-CE3 4.49Å; Q13-W79 HydrophobicContact CB-CZ3 4.1Å; Q13-W79 HydrophobicContact CG-CE3 4.02Å; Q13-W79 HydrophobicContact CG-CZ3 4.13Å; A14-W79 HydrophobicContact CB-CH2 3.68Å; A14-W79 HydrophobicContact CB-CZ2 4.45Å; A14-W79 HydrophobicContact CB-CZ3 3.91Å; L76-W79 HydrophobicContact CB-CB 4.49Å; L76-W79 HydrophobicContact CD2-CB 4.34Å; L76-W79 WeakPolarHBondContact O-CB 3.24Å; L76-W79 PolarHBondContact O-N 2.86Å; G77-W79 VanDerWaalsContact C-N 3.29Å; G77-W79 PolarHBondContact O-N 2.85Å; W79-H82 WeakPolarHBondContact O-CB 3.38Å; W79-H82 PolarHBondContact O-N 3.34Å; W79-W83 PolarHBondContact O-N 3.47Å |
| 80 | K | 84.1 | Confident | 79.4 | Confident | 55 Ų | 55 | 52.5 Ų | 52.5 | 24% | 0.239 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.8 | -50.8 | 173.8 | 179.3 | -180 | 176.7 | -167.2 | 0 | 111.3 | F57 L68 L71 L76 G77 H82 W83 D84 | F57-K80 HydrophobicContact CE2-CD 4.22Å; F57-K80 HydrophobicContact CE2-CG 4.47Å; F57-K80 HydrophobicContact CZ-CD 4.11Å; F57-K80 VanDerWaalsContact CZ-CE 3.42Å; L68-K80 HydrophobicContact CD1-CD 4.15Å; L71-K80 HydrophobicContact CD1-CD 4.01Å; L76-K80 PolarHBondContact O-N 3.44Å; G77-K80 PolarHBondContact O-N 2.83Å; K80-H82 PolarHBondContact O-N 2.75Å; K80-H82 VanDerWaalsContact O-N 3.17Å; K80-W83 PolarHBondContact O-N 3.01Å; K80-D84 WeakPolarHBondContact CE-OD2 3.44Å; K80-D84 WeakPolarHBondContact CG-OD2 3.25Å; K80-D84 VanDerWaalsContact O-CG 3.26Å; K80-D84 PolarHBondContact O-N 3.08Å |
| 81 | R | 81.1 | Confident | 79 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 1% | 0.011 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.5 | -34.8 | 178.1 | -165.2 | -175.6 | -171.6 | 82.2 | -1.3 | 111.6 | D60 G77 V78 A85 D108 L109 | D60-R81 IonicContact OD1-NH2 2.77Å; D60-R81 IonicContact OD2-CZ 3.86Å; D60-R81 VanDerWaalsContact OD2-CZ 3.29Å; D60-R81 IonicContact OD2-NH1 3.26Å; D60-R81 PolarHBondContact OD2-NH1 3.17Å; D60-R81 IonicContact OD2-NH2 3.56Å; D60-R81 PolarHBondContact OD2-NH2 3.15Å; G77-R81 PolarHBondContact O-N 3.21Å; V78-R81 PolarHBondContact O-N 3.29Å; R81-A85 WeakPolarHBondContact O-CB 3.45Å; R81-A85 PolarHBondContact O-N 2.93Å; R81-D108 IonicContact NH2-OD2 3.88Å; R81-L109 HydrophobicContact CB-CD1 4.17Å; R81-L109 HydrophobicContact CG-CD1 4.17Å |
| 82 | H | 77.1 | Confident | 78 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.6 | -41.4 | 174.8 | -159 | -20.6 | 0 | 0 | 0 | 113.1 | L6 S9 A10 V78 W79 K80 V86 L109 | L6-H82 PolarHBondContact O-CE1 3.45Å; S9-H82 WeakPolarHBondContact CB-NE2 3.07Å; A10-H82 PolarHBondContact N-NE2 3Å; V78-H82 PolarHBondContact O-N 3.04Å; W79-H82 WeakPolarHBondContact O-CB 3.38Å; W79-H82 PolarHBondContact O-N 3.34Å; K80-H82 PolarHBondContact O-N 2.75Å; K80-H82 VanDerWaalsContact O-N 3.17Å; H82-V86 WeakPolarHBondContact O-CG2 3.39Å; H82-V86 PolarHBondContact O-N 3.04Å; H82-L109 HydrophobicContact CB-CD1 4.09Å; H82-L109 HydrophobicContact CB-CD2 4.06Å |
| 83 | W | 78.9 | Confident | 76.7 | Confident | 148 Ų | 148 | 59.1 Ų | 59.1 | 56% | 0.561 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66.5 | -45.2 | 177.9 | -172.1 | -97.9 | 0 | 0 | 0 | 112.1 | W79 K80 A85 V86 L87 | W79-W83 PolarHBondContact O-N 3.47Å; K80-W83 PolarHBondContact O-N 3.01Å; W83-A85 VanDerWaalsContact C-N 3.3Å; W83-A85 PolarHBondContact O-N 3.21Å; W83-V86 PolarHBondContact O-N 2.93Å; W83-L87 WeakPolarHBondContact O-CB 3.42Å; W83-L87 PolarHBondContact O-N 3.24Å |
| 84 | D | 79.9 | Confident | 75.3 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 21% | 0.214 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 177.2 | -62.9 | -19.2 | 0 | 0 | 0 | 111.1 | F57 K80 T88 | F57-D84 WeakPolarHBondContact CE2-OD2 3.35Å; K80-D84 WeakPolarHBondContact CE-OD2 3.44Å; K80-D84 WeakPolarHBondContact CG-OD2 3.25Å; K80-D84 VanDerWaalsContact O-CG 3.26Å; K80-D84 PolarHBondContact O-N 3.08Å; D84-T88 WeakPolarHBondContact O-CB 3.45Å; D84-T88 PolarHBondContact O-N 2.93Å; D84-T88 PolarHBondContact O-OG1 3.22Å |
| 85 | A | 75.9 | Confident | 73.9 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R81 W83 T88 A89 L109 | R81-A85 WeakPolarHBondContact O-CB 3.45Å; R81-A85 PolarHBondContact O-N 2.93Å; W83-A85 VanDerWaalsContact C-N 3.3Å; W83-A85 PolarHBondContact O-N 3.21Å; A85-T88 PolarHBondContact O-N 2.96Å; A85-A89 VanDerWaalsContact O-CB 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3.24Å; A85-A89 PolarHBondContact O-N 3.49Å; A85-L109 HydrophobicContact CB-CD2 4.28Å |
| 86 | V | 77.9 | Confident | 72.4 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 21% | 0.212 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63 | -44.3 | 175.8 | 165.8 | 0 | 0 | 0 | 0 | 111.2 | L6 H82 W83 A89 L90 | L6-V86 HydrophobicContact CB-CG2 3.77Å; H82-V86 WeakPolarHBondContact O-CG2 3.39Å; H82-V86 PolarHBondContact O-N 3.04Å; W83-V86 PolarHBondContact O-N 2.93Å; V86-A89 PolarHBondContact O-N 2.99Å; V86-L90 WeakPolarHBondContact O-CB 3.39Å; V86-L90 PolarHBondContact O-N 3.42Å |
| 87 | L | 77.8 | Confident | 71 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 37% | 0.366 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 178.7 | -176.2 | 62.8 | 0 | 0 | 0 | 111.2 | W83 L90 Q91 | W83-L87 WeakPolarHBondContact O-CB 3.42Å; W83-L87 PolarHBondContact O-N 3.24Å; L87-L90 PolarHBondContact O-N 3.34Å; L87-Q91 HydrophobicContact CD1-CG 4.42Å; L87-Q91 WeakPolarHBondContact O-CB 3.44Å; L87-Q91 VanDerWaalsContact O-CG 3.31Å; L87-Q91 WeakPolarHBondContact O-CG 3.44Å; L87-Q91 PolarHBondContact O-N 2.95Å |
| 88 | T | 73.8 | Confident | 69.9 | Low | 32 Ų | 32 | 70.6 Ų | 70.6 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 177.7 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | D84 A85 L90 Q91 K92 W101 | D84-T88 WeakPolarHBondContact O-CB 3.45Å; D84-T88 PolarHBondContact O-N 2.93Å; D84-T88 PolarHBondContact O-OG1 3.22Å; A85-T88 PolarHBondContact O-N 2.96Å; T88-L90 VanDerWaalsContact C-N 3.33Å; T88-L90 PolarHBondContact O-N 3.06Å; T88-Q91 PolarHBondContact O-N 3.05Å; T88-K92 HydrophobicContact CG2-CD 4.09Å; T88-K92 WeakPolarHBondContact O-CB 3.38Å; T88-K92 PolarHBondContact O-N 3.02Å; T88-W101 HydrophobicContact CG2-CZ3 4.12Å |
| 89 | A | 73.5 | Confident | 68.9 | Low | 6 Ų | 6 | 76.4 Ų | 76.4 | 5% | 0.05 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L6 A85 V86 L102 | L6-A89 HydrophobicContact CD1-CB 4.03Å; A85-A89 VanDerWaalsContact O-CB 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3.24Å; A85-A89 PolarHBondContact O-N 3.49Å; V86-A89 PolarHBondContact O-N 2.99Å; A89-L102 HydrophobicContact CB-CD1 4.45Å; A89-L102 HydrophobicContact CB-CD2 4.13Å |
| 90 | L | 74.8 | Confident | 68.1 | Low | 129 Ų | 129 | 74.8 Ų | 74.8 | 68% | 0.675 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68.9 | -33.2 | 177.9 | -169.2 | 67.3 | 0 | 0 | 0 | 112.8 | V86 L87 T88 | V86-L90 WeakPolarHBondContact O-CB 3.39Å; V86-L90 PolarHBondContact O-N 3.42Å; L87-L90 PolarHBondContact O-N 3.34Å; T88-L90 VanDerWaalsContact C-N 3.33Å; T88-L90 PolarHBondContact O-N 3.06Å |
| 91 | Q | 71.9 | Confident | 67.3 | Low | 138 Ų | 138 | 78.2 Ų | 78.2 | 65% | 0.645 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -83.5 | -25.8 | -179.8 | -72.3 | 177.1 | -8.6 | 0 | 0 | 114.1 | L87 T88 | L87-Q91 HydrophobicContact CD1-CG 4.42Å; L87-Q91 WeakPolarHBondContact O-CB 3.44Å; L87-Q91 VanDerWaalsContact O-CG 3.31Å; L87-Q91 WeakPolarHBondContact O-CG 3.44Å; L87-Q91 PolarHBondContact O-N 2.95Å; T88-Q91 PolarHBondContact O-N 3.05Å |
| 92 | K | 61.8 | Low | 66.7 | Low | 83 Ų | 83 | 79.6 Ų | 79.6 | 36% | 0.361 | 40% | 0.402 | S | S | . | . | trans | -122 | 26.9 | -169.1 | -64.7 | -170 | 174 | 179.3 | 0 | 116 | T88 Q94 H98 | T88-K92 HydrophobicContact CG2-CD 4.09Å; T88-K92 WeakPolarHBondContact O-CB 3.38Å; T88-K92 PolarHBondContact O-N 3.02Å; K92-Q94 PolarHBondContact O-N 3.47Å; K92-H98 PolarHBondContact NZ-CD2 3.19Å; K92-H98 PolarHBondContact NZ-CE1 3.46Å; K92-H98 PolarHBondContact NZ-NE2 2.97Å | ||
| 93 | E | 56.7 | Low | 66.3 | Low | 103 Ų | 103 | 83.6 Ų | 83.6 | 48% | 0.481 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -22.1 | 176.7 | -88.9 | -80.1 | -169.9 | 0 | 0 | 114.2 | R99 | E93-R99 PolarHBondContact O-NH2 3.16Å; E93-R99 IonicContact OE2-NH2 3.29Å |
| 94 | Q | 50.9 | Low | 65.9 | Low | 192 Ų | 192 | 79 Ų | 79 | 90% | 0.897 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -8.2 | -166.1 | -160.9 | 151.8 | 2.2 | 0 | 0 | 116.6 | K92 | K92-Q94 PolarHBondContact O-N 3.47Š|
| 95 | E | 52.3 | Low | 65.5 | Low | 107 Ų | 107 | 78.2 Ų | 78.2 | 50% | 0.5 | 40% | 0.402 | S | S | . | . | trans | -101.8 | 115.1 | -178.3 | -73.7 | -171.9 | 173.4 | 0 | 0 | 113.7 | H98 | E95-H98 PolarHBondContact O-N 3.15Å; E95-H98 IonicContact OE2-CE1 2.74Å; E95-H98 PolarHBondContact OE2-CE1 3.16Å; E95-H98 VanDerWaalsContact OE2-CE1 3.26Å; E95-H98 IonicContact OE2-CG 2.81Å; E95-H98 IonicContact OE2-ND1 3.74Å; E95-H98 PolarHBondContact OE2-ND1 3.08Å | ||
| 96 | A | 48.8 | Very low | 65.5 | Low | 85 Ų | 85 | 78.5 Ų | 78.5 | 70% | 0.702 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -47.5 | -180 | 0 | 0 | 0 | 0 | 0 | 116 | H98 R99 | A96-H98 VanDerWaalsContact C-N 3.3Å; A96-H98 PolarHBondContact O-N 3.35Å; A96-R99 PolarHBondContact O-N 2.86Å |
| 97 | P | 50.5 | Low | 65.4 | Low | 115 Ų | 115 | 77.9 Ų | 77.9 | 75% | 0.747 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -25.9 | -174.8 | 26.5 | -35 | 0 | 0 | 0 | 113.6 | R99 | P97-R99 VanDerWaalsContact C-N 3.3Å; P97-R99 PolarHBondContact O-N 2.88Å |
| 98 | H | 58.9 | Low | 65.5 | Low | 59 Ų | 59 | 74.8 Ų | 74.8 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.6 | -17.5 | -179.7 | -84.9 | 105.8 | 0 | 0 | 0 | 113.8 | K92 E95 A96 G100 W101 L102 | K92-H98 PolarHBondContact NZ-CD2 3.19Å; K92-H98 PolarHBondContact NZ-CE1 3.46Å; K92-H98 PolarHBondContact NZ-NE2 2.97Å; E95-H98 PolarHBondContact O-N 3.15Å; E95-H98 IonicContact OE2-CE1 2.74Å; E95-H98 PolarHBondContact OE2-CE1 3.16Å; E95-H98 VanDerWaalsContact OE2-CE1 3.26Å; E95-H98 IonicContact OE2-CG 2.81Å; E95-H98 IonicContact OE2-ND1 3.74Å; E95-H98 PolarHBondContact OE2-ND1 3.08Å; A96-H98 VanDerWaalsContact C-N 3.3Å; A96-H98 PolarHBondContact O-N 3.35Å; H98-G100 PolarHBondContact O-N 2.92Å; H98-W101 PolarHBondContact O-N 3.17Å; H98-L102 PolarHBondContact O-N 3.43Å |
| 99 | R | 60.2 | Low | 65.9 | Low | 122 Ų | 122 | 73.6 Ų | 73.6 | 46% | 0.46 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.8 | -36.7 | -171.3 | -172.2 | 168.2 | -71 | -90.8 | -3.4 | 113.8 | E93 A96 P97 Q103 | E93-R99 PolarHBondContact O-NH2 3.16Å; E93-R99 IonicContact OE2-NH2 3.29Å; A96-R99 PolarHBondContact O-N 2.86Å; P97-R99 VanDerWaalsContact C-N 3.3Å; P97-R99 PolarHBondContact O-N 2.88Å; R99-Q103 VanDerWaalsContact O-CG 3.29Å; R99-Q103 WeakPolarHBondContact O-CG 3.48Å; R99-Q103 PolarHBondContact O-N 3.03Å; R99-Q103 VanDerWaalsContact O-N 3.13Å |
| 100 | G | 63.9 | Low | 66.4 | Low | 40 Ų | 40 | 73.8 Ų | 73.8 | 41% | 0.412 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.2 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H98 Q103 L104 | H98-G100 PolarHBondContact O-N 2.92Å; G100-Q103 PolarHBondContact O-N 3.1Å; G100-L104 PolarHBondContact O-N 3.22Å; G100-L104 VanDerWaalsContact O-N 3.14Å |
| 101 | W | 66.7 | Low | 66.8 | Low | 127 Ų | 127 | 68.2 Ų | 68.2 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 175.2 | 178.7 | 85.3 | 0 | 0 | 0 | 111.5 | T88 H98 Q103 L104 Q105 | T88-W101 HydrophobicContact CG2-CZ3 4.12Å; H98-W101 PolarHBondContact O-N 3.17Å; W101-Q103 VanDerWaalsContact C-N 3.35Å; W101-Q103 PolarHBondContact O-N 3.36Å; W101-L104 PolarHBondContact O-N 3Å; W101-Q105 PolarHBondContact O-N 2.92Å |
| 102 | L | 67.6 | Low | 67.5 | Low | 32 Ų | 32 | 61.7 Ų | 61.7 | 17% | 0.168 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61 | -41.9 | 175 | -173.5 | 68.4 | 0 | 0 | 0 | 111.9 | A89 H98 L104 Q105 E106 | A89-L102 HydrophobicContact CB-CD1 4.45Å; A89-L102 HydrophobicContact CB-CD2 4.13Å; H98-L102 PolarHBondContact O-N 3.43Å; L102-L104 VanDerWaalsContact C-N 3.33Å; L102-L104 PolarHBondContact O-N 3.02Å; L102-Q105 PolarHBondContact O-N 3Å; L102-E106 WeakPolarHBondContact O-CG 3.19Å; L102-E106 PolarHBondContact O-N 3.33Å |
| 103 | Q | 69.2 | Low | 68.7 | Low | 93 Ų | 93 | 58.8 Ų | 58.8 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 176.3 | -76.6 | 172.5 | -25.6 | 0 | 0 | 113 | R99 G100 W101 A107 | R99-Q103 VanDerWaalsContact O-CG 3.29Å; R99-Q103 WeakPolarHBondContact O-CG 3.48Å; R99-Q103 PolarHBondContact O-N 3.03Å; R99-Q103 VanDerWaalsContact O-N 3.13Å; G100-Q103 PolarHBondContact O-N 3.1Å; W101-Q103 VanDerWaalsContact C-N 3.35Å; W101-Q103 PolarHBondContact O-N 3.36Å; Q103-A107 WeakPolarHBondContact O-CB 3.26Å; Q103-A107 PolarHBondContact O-N 3.46Å |
| 104 | L | 70.4 | Confident | 70.3 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 27% | 0.272 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68 | -43.1 | 172.8 | -81.3 | -62.3 | 0 | 0 | 0 | 112.1 | G100 W101 L102 E106 A107 D108 H404 | G100-L104 PolarHBondContact O-N 3.22Å; G100-L104 VanDerWaalsContact O-N 3.14Å; W101-L104 PolarHBondContact O-N 3Å; L102-L104 VanDerWaalsContact C-N 3.33Å; L102-L104 PolarHBondContact O-N 3.02Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 3.03Å; L104-A107 PolarHBondContact O-N 3.01Å; L104-D108 PolarHBondContact O-N 3.42Å; L104-H404 HydrophobicContact CD1-CB 4.05Å; L104-H404 HydrophobicContact CD2-CB 4.2Å; L104-H404 PolarHBondContact O-CE1 3.18Å |
| 105 | Q | 72.9 | Confident | 72.2 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 175.3 | -168.9 | -174.1 | 6.4 | 0 | 0 | 112 | W101 L102 L109 | W101-Q105 PolarHBondContact O-N 2.92Å; L102-Q105 PolarHBondContact O-N 3Å; Q105-L109 VanDerWaalsContact O-CB 3.3Å; Q105-L109 WeakPolarHBondContact O-CB 3.42Å; Q105-L109 PolarHBondContact O-N 3.31Å |
| 106 | E | 74.8 | Confident | 74 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.028 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -41.5 | 173.2 | -75.5 | -175.3 | -150.3 | 0 | 0 | 112.1 | H2 L6 L102 L104 L109 S110 F163 | H2-E106 IonicContact CD2-OE2 3.99Å; L6-E106 HydrophobicContact CD2-CG 4.14Å; L102-E106 WeakPolarHBondContact O-CG 3.19Å; L102-E106 PolarHBondContact O-N 3.33Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 3.03Å; E106-L109 PolarHBondContact O-N 2.56Å; E106-S110 WeakPolarHBondContact O-CB 3.12Å; E106-S110 PolarHBondContact O-N 2.93Å; E106-F163 HydrophobicContact CB-CD1 4.43Å; E106-F163 HydrophobicContact CB-CE1 3.63Å; E106-F163 HydrophobicContact CB-CZ 3.86Å; E106-F163 VanDerWaalsContact OE2-CE1 3.28Å; E106-F163 WeakPolarHBondContact OE2-CE1 3.38Å; E106-F163 WeakPolarHBondContact OE2-CZ 3.49Å |
| 107 | A | 76.1 | Confident | 76 | Confident | 22 Ų | 22 | 38 Ų | 38 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.4 | -49 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q103 L104 L109 S110 A111 | Q103-A107 WeakPolarHBondContact O-CB 3.26Å; Q103-A107 PolarHBondContact O-N 3.46Å; L104-A107 PolarHBondContact O-N 3.01Å; A107-L109 PolarHBondContact O-N 3.21Å; A107-S110 PolarHBondContact O-N 2.78Å; A107-S110 PolarHBondContact O-OG 3.24Å; A107-A111 PolarHBondContact O-N 3.2Å |
| 108 | D | 78.9 | Confident | 78 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.027 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.8 | -47.9 | 174.2 | -89 | 26.4 | 0 | 0 | 0 | 112 | W56 R81 L104 S110 A111 L112 H404 | W56-D108 HydrophobicContact CE3-CB 4.03Å; W56-D108 HydrophobicContact CZ3-CB 3.72Å; R81-D108 IonicContact NH2-OD2 3.88Å; L104-D108 PolarHBondContact O-N 3.42Å; D108-S110 VanDerWaalsContact C-N 3.27Å; D108-S110 PolarHBondContact O-N 3.46Å; D108-A111 PolarHBondContact O-N 3.4Å; D108-A111 VanDerWaalsContact O-N 3.17Å; D108-L112 PolarHBondContact O-N 3.5Å; D108-H404 IonicContact OD1-CE1 2.73Å; D108-H404 PolarHBondContact OD1-CE1 2.88Å; D108-H404 IonicContact OD1-ND1 3.62Å; D108-H404 PolarHBondContact OD1-ND1 3.24Å; D108-H404 IonicContact OD2-CE1 3.74Å; D108-H404 PolarHBondContact OD2-CE1 3.15Å; D108-H404 IonicContact OD2-ND1 3.49Å; D108-H404 PolarHBondContact OD2-ND1 3.15Å; D108-H404 VanDerWaalsContact OD2-ND1 3.13Å |
| 109 | L | 82.8 | Confident | 79.5 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.4 | -39.8 | 177.3 | 178.2 | 65 | 0 | 0 | 0 | 111.4 | V78 R81 H82 A85 Q105 E106 A107 R113 | V78-L109 HydrophobicContact CG1-CD1 4.41Å; R81-L109 HydrophobicContact CB-CD1 4.17Å; R81-L109 HydrophobicContact CG-CD1 4.17Å; H82-L109 HydrophobicContact CB-CD1 4.09Å; H82-L109 HydrophobicContact CB-CD2 4.06Å; A85-L109 HydrophobicContact CB-CD2 4.28Å; Q105-L109 VanDerWaalsContact O-CB 3.3Å; Q105-L109 WeakPolarHBondContact O-CB 3.42Å; Q105-L109 PolarHBondContact O-N 3.31Å; E106-L109 PolarHBondContact O-N 2.56Å; A107-L109 PolarHBondContact O-N 3.21Å; L109-R113 VanDerWaalsContact O-CB 3.32Å; L109-R113 WeakPolarHBondContact O-CB 3.29Å; L109-R113 PolarHBondContact O-N 3.49Å |
| 110 | S | 84 | Confident | 81 | Confident | 10 Ų | 10 | 27 Ų | 27 | 7% | 0.07 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67 | -35.6 | 176.8 | 84.2 | 0 | 0 | 0 | 0 | 113 | E106 A107 D108 L114 F163 | E106-S110 WeakPolarHBondContact O-CB 3.12Å; E106-S110 PolarHBondContact O-N 2.93Å; A107-S110 PolarHBondContact O-N 2.78Å; A107-S110 PolarHBondContact O-OG 3.24Å; D108-S110 VanDerWaalsContact C-N 3.27Å; D108-S110 PolarHBondContact O-N 3.46Å; S110-L114 VanDerWaalsContact O-CB 3.27Å; S110-L114 WeakPolarHBondContact O-CB 3.32Å; S110-L114 PolarHBondContact O-N 3.4Å; S110-F163 VanDerWaalsContact OG-CD2 3.31Å; S110-F163 WeakPolarHBondContact OG-CD2 3.47Å |
| 111 | A | 84.2 | Confident | 82.4 | Confident | 12 Ų | 12 | 25 Ų | 25 | 10% | 0.099 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A107 D108 L114 L115 | A107-A111 PolarHBondContact O-N 3.2Å; D108-A111 PolarHBondContact O-N 3.4Å; D108-A111 VanDerWaalsContact O-N 3.17Å; A111-L114 PolarHBondContact O-N 2.94Å; A111-L115 WeakPolarHBondContact O-CB 3.42Å; A111-L115 PolarHBondContact O-N 3.43Å |
| 112 | L | 85.8 | Confident | 83.6 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 172.3 | -75.7 | 170.3 | 0 | 0 | 0 | 111.7 | V49 L52 W56 D108 L114 L115 E116 | V49-L112 HydrophobicContact CG1-CD2 4.13Å; L52-L112 HydrophobicContact CB-CD2 4.17Å; W56-L112 HydrophobicContact CD2-CD1 4.36Å; W56-L112 HydrophobicContact CE3-CD1 3.57Å; W56-L112 HydrophobicContact CE3-CD2 4.3Å; W56-L112 HydrophobicContact CE3-CG 3.89Å; W56-L112 HydrophobicContact CH2-CD1 4.41Å; W56-L112 HydrophobicContact CH2-CD2 3.94Å; W56-L112 HydrophobicContact CH2-CG 3.79Å; W56-L112 HydrophobicContact CZ2-CD2 4.3Å; W56-L112 HydrophobicContact CZ3-CD1 3.62Å; W56-L112 HydrophobicContact CZ3-CD2 3.99Å; W56-L112 HydrophobicContact CZ3-CG 3.43Å; W56-L112 VanDerWaalsContact CZ3-CG 3.43Å; D108-L112 PolarHBondContact O-N 3.5Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L112-L114 PolarHBondContact O-N 3.44Å; L112-L115 PolarHBondContact O-N 2.78Å; L112-E116 WeakPolarHBondContact O-CB 3.3Å; L112-E116 PolarHBondContact O-N 3.11Å |
| 113 | R | 88.2 | Confident | 84.9 | Confident | 22 Ų | 22 | 20 Ų | 20 | 8% | 0.083 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.2 | -34.8 | -179 | -176.9 | 58.4 | -172.6 | 162.6 | 5.9 | 112.1 | E16 L109 E116 A117 S152 A156 | E16-R113 IonicContact OE2-CZ 3.22Å; E16-R113 IonicContact OE2-NH1 2.78Å; E16-R113 PolarHBondContact OE2-NH1 3.09Å; E16-R113 IonicContact OE2-NH2 2.65Å; E16-R113 PolarHBondContact OE2-NH2 3.4Å; L109-R113 VanDerWaalsContact O-CB 3.32Å; L109-R113 WeakPolarHBondContact O-CB 3.29Å; L109-R113 PolarHBondContact O-N 3.49Å; R113-E116 IonicContact CZ-OE2 3.13Å; R113-E116 IonicContact NH1-OE1 2.75Å; R113-E116 PolarHBondContact NH1-OE1 2.92Å; R113-E116 IonicContact NH1-OE2 3.52Å; R113-E116 PolarHBondContact NH1-OE2 2.96Å; R113-A117 WeakPolarHBondContact O-CB 3.36Å; R113-A117 PolarHBondContact O-N 2.67Å; R113-S152 PolarHBondContact NH2-OG 3.37Å; R113-A156 HydrophobicContact CG-CB 4.43Å |
| 114 | L | 90.3 | Very high | 86.1 | Confident | 7 Ų | 7 | 15.5 Ų | 15.5 | 4% | 0.037 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.9 | -45.8 | 170.4 | 174.8 | 61.2 | 0 | 0 | 0 | 111.5 | S110 A111 L112 A117 L118 L157 Y160 L253 | S110-L114 VanDerWaalsContact O-CB 3.27Å; S110-L114 WeakPolarHBondContact O-CB 3.32Å; S110-L114 PolarHBondContact O-N 3.4Å; A111-L114 PolarHBondContact O-N 2.94Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L112-L114 PolarHBondContact O-N 3.44Å; L114-A117 PolarHBondContact O-N 3.28Å; L114-L118 HydrophobicContact CD1-CD1 3.67Å; L114-L118 HydrophobicContact CD1-CG 3.94Å; L114-L118 HydrophobicContact CG-CD1 3.83Å; L114-L118 HydrophobicContact CG-CG 4.48Å; L114-L118 WeakPolarHBondContact O-CB 3.32Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.39Å; L114-L118 PolarHBondContact O-N 3.23Å; L114-L157 HydrophobicContact CD1-CD2 3.63Å; L114-L157 HydrophobicContact CD1-CG 4.32Å; L114-Y160 HydrophobicContact CD2-CD1 3.39Å; L114-Y160 HydrophobicContact CD2-CD2 3.78Å; L114-Y160 HydrophobicContact CD2-CE1 3.82Å; L114-Y160 HydrophobicContact CD2-CE2 4.19Å; L114-Y160 HydrophobicContact CD2-CG 3.35Å; L114-L253 HydrophobicContact CD1-CD1 4.44Å; L114-L253 HydrophobicContact CD2-CD1 3.84Å; L114-L253 HydrophobicContact CD2-CD2 4.31Å |
| 115 | L | 89.2 | Confident | 87.3 | Confident | 43 Ų | 43 | 13.1 Ų | 13.1 | 23% | 0.225 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 178.8 | -170.8 | 68.5 | 0 | 0 | 0 | 111.5 | V49 L52 A111 L112 L118 L119 | V49-L115 HydrophobicContact CG1-CB 4.36Å; V49-L115 HydrophobicContact CG1-CD2 4.28Å; V49-L115 HydrophobicContact CG1-CG 4.47Å; V49-L115 HydrophobicContact CG2-CB 4.45Å; V49-L115 HydrophobicContact CG2-CD2 3.96Å; V49-L115 HydrophobicContact CG2-CG 3.85Å; L52-L115 HydrophobicContact CD1-CD2 3.61Å; A111-L115 WeakPolarHBondContact O-CB 3.42Å; A111-L115 PolarHBondContact O-N 3.43Å; L112-L115 PolarHBondContact O-N 2.78Å; L115-L118 PolarHBondContact O-N 3.43Å; L115-L119 HydrophobicContact CD1-CD1 3.8Å; L115-L119 HydrophobicContact CG-CD1 4.35Å; L115-L119 HydrophobicContact CG-CD2 4.49Å; L115-L119 WeakPolarHBondContact O-CB 3.36Å; L115-L119 PolarHBondContact O-N 2.86Å |
| 116 | E | 90.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 173.6 | -162.5 | -149 | 142.1 | 0 | 0 | 111.2 | Q13 Q17 R20 V49 L112 R113 L118 L119 Q120 T121 | Q13-E116 PolarHBondContact NE2-OE2 3.05Å; Q17-E116 PolarHBondContact NE2-OE1 2.95Å; R20-E116 IonicContact CZ-OE1 3.29Å; R20-E116 IonicContact NH1-OE1 3.64Å; R20-E116 IonicContact NH2-OE1 3.06Å; R20-E116 PolarHBondContact NH2-OE1 3.49Å; V49-E116 HydrophobicContact CG1-CB 4.05Å; L112-E116 WeakPolarHBondContact O-CB 3.3Å; L112-E116 PolarHBondContact O-N 3.11Å; R113-E116 IonicContact CZ-OE2 3.13Å; R113-E116 IonicContact NH1-OE1 2.75Å; R113-E116 PolarHBondContact NH1-OE1 2.92Å; R113-E116 IonicContact NH1-OE2 3.52Å; R113-E116 PolarHBondContact NH1-OE2 2.96Å; E116-L118 VanDerWaalsContact C-N 3.28Å; E116-L118 PolarHBondContact O-N 3.22Å; E116-L119 PolarHBondContact O-N 3.34Å; E116-Q120 WeakPolarHBondContact O-CA 3.44Å; E116-Q120 WeakPolarHBondContact O-CB 3.41Å; E116-Q120 PolarHBondContact O-N 2.98Å; E116-T121 PolarHBondContact O-N 3.49Å |
| 117 | A | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -64.1 | -33.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R113 L114 T121 G122 L153 A156 | R113-A117 WeakPolarHBondContact O-CB 3.36Å; R113-A117 PolarHBondContact O-N 2.67Å; L114-A117 PolarHBondContact O-N 3.28Å; A117-T121 CarbonylContact O-C 3.56Å; A117-T121 WeakPolarHBondContact O-CA 3.45Å; A117-T121 VanDerWaalsContact O-CB 3.3Å; A117-T121 WeakPolarHBondContact O-CB 3.48Å; A117-T121 PolarHBondContact O-N 3.06Å; A117-G122 PolarHBondContact O-N 3.32Å; A117-L153 HydrophobicContact CB-CB 4.47Å; A117-L153 HydrophobicContact CB-CD1 3.7Å; A117-A156 HydrophobicContact CB-CB 3.91Å |
| 118 | L | 91.4 | Very high | 90.3 | Very high | 20 Ų | 20 | 14 Ų | 14 | 11% | 0.105 | 8% | 0.078 | C | C | . | . | I | π-helix | trans | -77.1 | -44.5 | 176.8 | -72 | 169.4 | 0 | 0 | 0 | 113.1 | L114 L115 E116 P123 L153 V247 L253 | L114-L118 HydrophobicContact CD1-CD1 3.67Å; L114-L118 HydrophobicContact CD1-CG 3.94Å; L114-L118 HydrophobicContact CG-CD1 3.83Å; L114-L118 HydrophobicContact CG-CG 4.48Å; L114-L118 WeakPolarHBondContact O-CB 3.32Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.39Å; L114-L118 PolarHBondContact O-N 3.23Å; L115-L118 PolarHBondContact O-N 3.43Å; E116-L118 VanDerWaalsContact C-N 3.28Å; E116-L118 PolarHBondContact O-N 3.22Å; L118-P123 WeakPolarHBondContact O-CD 3.26Å; L118-L153 HydrophobicContact CD2-CD1 4.08Å; L118-L153 HydrophobicContact CG-CD1 4.43Å; L118-V247 HydrophobicContact CD1-CB 4.45Å; L118-V247 HydrophobicContact CD1-CG1 3.71Å; L118-V247 HydrophobicContact CD1-CG2 3.84Å; L118-V247 HydrophobicContact CD2-CG1 3.74Å; L118-V247 HydrophobicContact CG-CG1 4.37Å; L118-L253 HydrophobicContact CD1-CD1 4.17Å |
| 119 | L | 90.3 | Very high | 91.1 | Very high | 44 Ų | 44 | 14.3 Ų | 14.3 | 23% | 0.23 | 8% | 0.08 | C | C | . | . | I | π-helix | trans | -76.9 | -27.5 | -177.7 | -92.7 | 60.2 | 0 | 0 | 0 | 113.2 | P45 V49 L115 E116 | P45-L119 HydrophobicContact CB-CB 3.97Å; P45-L119 HydrophobicContact CB-CD2 4.41Å; P45-L119 HydrophobicContact CB-CG 4.34Å; V49-L119 HydrophobicContact CG2-CD2 3.9Å; L115-L119 HydrophobicContact CD1-CD1 3.8Å; L115-L119 HydrophobicContact CG-CD1 4.35Å; L115-L119 HydrophobicContact CG-CD2 4.49Å; L115-L119 WeakPolarHBondContact O-CB 3.36Å; L115-L119 PolarHBondContact O-N 2.86Å; E116-L119 PolarHBondContact O-N 3.34Å |
| 120 | Q | 91.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -121.5 | -55.7 | -170 | -156.8 | 176.5 | 6.1 | 0 | 0 | 112.3 | R20 V42 L43 E116 G122 H124 | R20-Q120 VanDerWaalsContact NH2-NE2 3.12Å; V42-Q120 WeakPolarHBondContact CG1-O 3.38Å; V42-Q120 WeakPolarHBondContact O-CG 3.47Å; L43-Q120 HydrophobicContact CD2-CG 4.41Å; E116-Q120 WeakPolarHBondContact O-CA 3.44Å; E116-Q120 WeakPolarHBondContact O-CB 3.41Å; E116-Q120 PolarHBondContact O-N 2.98Å; Q120-G122 PolarHBondContact O-N 2.83Å; Q120-H124 VanDerWaalsContact O-CB 3.28Å; Q120-H124 WeakPolarHBondContact O-CB 3.43Å; Q120-H124 PolarHBondContact O-N 3.19Å; Q120-H124 VanDerWaalsContact O-N 3.14Å |
| 121 | T | 93.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -69.8 | -30.7 | -178.5 | -48 | 0 | 0 | 0 | 0 | 112.4 | E16 R20 E116 A117 L125 S149 L153 | E16-T121 VanDerWaalsContact CD-OG1 3.3Å; E16-T121 HydrophobicContact CG-CG2 3.83Å; E16-T121 WeakPolarHBondContact OE1-CB 3.44Å; E16-T121 WeakPolarHBondContact OE1-CG2 3.37Å; E16-T121 PolarHBondContact OE1-OG1 3.24Å; R20-T121 PolarHBondContact NH1-OG1 2.95Å; E116-T121 PolarHBondContact O-N 3.49Å; A117-T121 CarbonylContact O-C 3.56Å; A117-T121 WeakPolarHBondContact O-CA 3.45Å; A117-T121 VanDerWaalsContact O-CB 3.3Å; A117-T121 WeakPolarHBondContact O-CB 3.48Å; A117-T121 PolarHBondContact O-N 3.06Å; T121-L125 WeakPolarHBondContact O-CB 3.5Å; T121-L125 PolarHBondContact O-N 3.13Å; T121-S149 WeakPolarHBondContact CG2-O 3.45Å; T121-L153 HydrophobicContact CG2-CB 4.26Å |
| 122 | G | 93.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.5 | -56.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A117 Q120 H124 L125 L126 | A117-G122 PolarHBondContact O-N 3.32Å; Q120-G122 PolarHBondContact O-N 2.83Å; G122-H124 VanDerWaalsContact C-N 3.31Å; G122-H124 PolarHBondContact O-N 2.75Å; G122-L125 WeakPolarHBondContact O-CB 3.39Å; G122-L125 PolarHBondContact O-N 3.18Å; G122-L126 PolarHBondContact O-N 2.82Å; G122-L126 VanDerWaalsContact O-N 3.1Å |
| 123 | P | 93.8 | Very high | 93.1 | Very high | 51 Ų | 51 | 18.4 Ų | 18.4 | 33% | 0.331 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -61.3 | -36.7 | 173 | -25.9 | 35.8 | 0 | 0 | 0 | 113 | V42 L118 L126 L127 | V42-P123 HydrophobicContact CG1-CB 4.12Å; V42-P123 HydrophobicContact CG2-CB 4.12Å; L118-P123 WeakPolarHBondContact O-CD 3.26Å; P123-L126 PolarHBondContact O-N 3.49Å; P123-L127 WeakPolarHBondContact O-CB 3.34Å; P123-L127 PolarHBondContact O-N 2.88Å |
| 124 | H | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 174.2 | -176.4 | 62.8 | 0 | 0 | 0 | 111.8 | T23 V42 Q120 G122 L127 Q128 S145 S149 | T23-H124 PolarHBondContact OG1-CE1 3.4Å; V42-H124 HydrophobicContact CG1-CB 3.72Å; Q120-H124 VanDerWaalsContact O-CB 3.28Å; Q120-H124 WeakPolarHBondContact O-CB 3.43Å; Q120-H124 PolarHBondContact O-N 3.19Å; Q120-H124 VanDerWaalsContact O-N 3.14Å; G122-H124 VanDerWaalsContact C-N 3.31Å; G122-H124 PolarHBondContact O-N 2.75Å; H124-L127 WeakPolarHBondContact O-CB 3.25Å; H124-L127 PolarHBondContact O-N 2.67Å; H124-Q128 VanDerWaalsContact CE1-CD 3.47Å; H124-Q128 WeakPolarHBondContact CE1-CG 3.29Å; H124-Q128 PolarHBondContact CE1-NE2 2.98Å; H124-Q128 PolarHBondContact ND1-NE2 3.36Å; H124-Q128 WeakPolarHBondContact NE2-CG 3.33Å; H124-Q128 WeakPolarHBondContact O-CG 3.39Å; H124-Q128 PolarHBondContact O-N 3.43Å; H124-S145 PolarHBondContact NE2-OG 2.87Å; H124-S149 PolarHBondContact CD2-OG 3.41Å; H124-S149 VanDerWaalsContact CD2-OG 3.27Å |
| 125 | L | 96.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.3 | -46.3 | 177.3 | 173.1 | 58.8 | 0 | 0 | 0 | 111.9 | T121 G122 L127 T129 T146 W150 L153 L190 V194 | T121-L125 WeakPolarHBondContact O-CB 3.5Å; T121-L125 PolarHBondContact O-N 3.13Å; G122-L125 WeakPolarHBondContact O-CB 3.39Å; G122-L125 PolarHBondContact O-N 3.18Å; L125-L127 VanDerWaalsContact C-N 3.32Å; L125-L127 PolarHBondContact O-N 3.01Å; L125-T129 VanDerWaalsContact O-CB 3.27Å; L125-T129 WeakPolarHBondContact O-CB 3.43Å; L125-T129 PolarHBondContact O-N 2.91Å; L125-T129 PolarHBondContact O-OG1 3.27Å; L125-T146 HydrophobicContact CD1-CG2 3.85Å; L125-W150 HydrophobicContact CD1-CB 3.81Å; L125-W150 HydrophobicContact CD2-CB 4.13Å; L125-L153 HydrophobicContact CD2-CD2 4.21Å; L125-L190 HydrophobicContact CD2-CD2 4.42Å; L125-V194 HydrophobicContact CD1-CG1 4.46Å; L125-V194 HydrophobicContact CD2-CG2 3.88Å; L125-V194 HydrophobicContact CG-CG1 4.04Å; L125-V194 HydrophobicContact CG-CG2 4.2Å |
| 126 | L | 95.5 | Very high | 93 | Very high | 50 Ų | 50 | 21 Ų | 21 | 26% | 0.262 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -57.8 | -46 | 173.4 | -71.4 | 167.5 | 0 | 0 | 0 | 111.3 | G122 P123 Y130 V194 L197 V198 L250 | G122-L126 PolarHBondContact O-N 2.82Å; G122-L126 VanDerWaalsContact O-N 3.1Å; P123-L126 PolarHBondContact O-N 3.49Å; L126-Y130 PolarHBondContact O-N 3.46Å; L126-V194 HydrophobicContact CD2-CG1 4.23Å; L126-V194 HydrophobicContact CD2-CG2 4.37Å; L126-L197 HydrophobicContact CD2-CB 4.43Å; L126-V198 HydrophobicContact CD2-CG2 3.99Å; L126-L250 HydrophobicContact CD1-CD2 4.27Å |
| 127 | L | 94.9 | Very high | 92.8 | Very high | 18 Ų | 18 | 27.1 Ų | 27.1 | 9% | 0.094 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.5 | -51.6 | -179.1 | 178.7 | 61.9 | 0 | 0 | 0 | 112.9 | W35 L38 A39 V42 P123 H124 L125 T129 Y130 V131 | W35-L127 HydrophobicContact CE3-CD1 3.9Å; W35-L127 HydrophobicContact CZ3-CD1 3.81Å; L38-L127 HydrophobicContact CB-CD2 4.43Å; L38-L127 HydrophobicContact CD2-CD1 3.56Å; L38-L127 HydrophobicContact CG-CD1 3.88Å; L38-L127 HydrophobicContact CG-CD2 3.99Å; A39-L127 HydrophobicContact CB-CD2 4Å; V42-L127 HydrophobicContact CG2-CD2 4.32Å; P123-L127 WeakPolarHBondContact O-CB 3.34Å; P123-L127 PolarHBondContact O-N 2.88Å; H124-L127 WeakPolarHBondContact O-CB 3.25Å; H124-L127 PolarHBondContact O-N 2.67Å; L125-L127 VanDerWaalsContact C-N 3.32Å; L125-L127 PolarHBondContact O-N 3.01Å; L127-T129 VanDerWaalsContact C-N 3.35Å; L127-T129 PolarHBondContact O-N 3.21Å; L127-Y130 WeakPolarHBondContact O-CB 3.37Å; L127-Y130 PolarHBondContact O-N 2.95Å; L127-V131 PolarHBondContact O-N 3.38Å |
| 128 | Q | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.6 | -35.1 | -178.9 | -57.3 | -43.3 | -48.9 | 0 | 0 | 111.8 | Y27 H124 Y130 V131 F132 P142 T146 | Y27-Q128 PolarHBondContact OH-OE1 3.12Å; H124-Q128 VanDerWaalsContact CE1-CD 3.47Å; H124-Q128 WeakPolarHBondContact CE1-CG 3.29Å; H124-Q128 PolarHBondContact CE1-NE2 2.98Å; H124-Q128 PolarHBondContact ND1-NE2 3.36Å; H124-Q128 WeakPolarHBondContact NE2-CG 3.33Å; H124-Q128 WeakPolarHBondContact O-CG 3.39Å; H124-Q128 PolarHBondContact O-N 3.43Å; Q128-Y130 VanDerWaalsContact C-N 3.31Å; Q128-Y130 PolarHBondContact O-N 2.86Å; Q128-V131 PolarHBondContact O-N 3Å; Q128-F132 VanDerWaalsContact O-CB 3.29Å; Q128-F132 WeakPolarHBondContact O-CB 3.5Å; Q128-F132 PolarHBondContact O-N 2.61Å; Q128-P142 HydrophobicContact CB-CB 4.5Å; Q128-T146 VanDerWaalsContact C-OG1 3.22Å; Q128-T146 VanDerWaalsContact CB-OG1 3.24Å; Q128-T146 WeakPolarHBondContact CB-OG1 3.31Å; Q128-T146 PolarHBondContact O-OG1 2.83Å |
| 129 | T | 96.3 | Very high | 92.6 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 173.2 | -53 | 0 | 0 | 0 | 0 | 110.5 | L125 L127 L133 T146 V194 L195 V198 | L125-T129 VanDerWaalsContact O-CB 3.27Å; L125-T129 WeakPolarHBondContact O-CB 3.43Å; L125-T129 PolarHBondContact O-N 2.91Å; L125-T129 PolarHBondContact O-OG1 3.27Å; L127-T129 VanDerWaalsContact C-N 3.35Å; L127-T129 PolarHBondContact O-N 3.21Å; T129-L133 VanDerWaalsContact O-CB 3.3Å; T129-L133 WeakPolarHBondContact O-CB 3.3Å; T129-L133 PolarHBondContact O-N 3.44Å; T129-T146 PolarHBondContact N-OG1 3.45Å; T129-T146 VanDerWaalsContact OG1-CG2 3.31Å; T129-T146 WeakPolarHBondContact OG1-CG2 3.25Å; T129-V194 HydrophobicContact CG2-CG1 4.24Å; T129-L195 HydrophobicContact CG2-CD1 3.94Å; T129-V198 HydrophobicContact CG2-CB 4.31Å; T129-V198 HydrophobicContact CG2-CG1 4.07Å; T129-V198 HydrophobicContact CG2-CG2 4.25Å |
| 130 | Y | 95.4 | Very high | 92.8 | Very high | 43 Ų | 43 | 36.4 Ų | 36.4 | 17% | 0.169 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -50.1 | 174.8 | 174.7 | -92.8 | 0 | 0 | 0 | 112 | W35 L126 L127 Q128 F132 L133 A134 V198 Y201 K202 | W35-Y130 AromaticContact CH2-CD1 3.83Å; W35-Y130 HydrophobicContact CH2-CD1 3.83Å; W35-Y130 AromaticContact CH2-CE1 3.44Å; W35-Y130 HydrophobicContact CH2-CE1 3.44Å; W35-Y130 VanDerWaalsContact CH2-CE1 3.44Å; W35-Y130 HydrophobicContact CZ2-CE1 4.06Å; W35-Y130 HydrophobicContact CZ3-CD1 4.04Å; W35-Y130 HydrophobicContact CZ3-CE1 4.13Å; L126-Y130 PolarHBondContact O-N 3.46Å; L127-Y130 WeakPolarHBondContact O-CB 3.37Å; L127-Y130 PolarHBondContact O-N 2.95Å; Q128-Y130 VanDerWaalsContact C-N 3.31Å; Q128-Y130 PolarHBondContact O-N 2.86Å; Y130-F132 VanDerWaalsContact C-N 3.33Å; Y130-F132 PolarHBondContact O-N 3.08Å; Y130-L133 CarbonylContact O-C 3.57Å; Y130-L133 PolarHBondContact O-N 3.21Å; Y130-A134 HydrophobicContact CE1-CB 4Å; Y130-A134 VanDerWaalsContact O-CB 3.31Å; Y130-A134 WeakPolarHBondContact O-CB 3.16Å; Y130-A134 PolarHBondContact O-N 3.13Å; Y130-V198 HydrophobicContact CD2-CG1 4.37Å; Y130-Y201 AromaticContact CD2-CD1 3.5Å; Y130-Y201 HydrophobicContact CD2-CD1 3.5Å; Y130-Y201 VanDerWaalsContact CD2-CD1 3.5Å; Y130-Y201 AromaticContact CD2-CE1 3.76Å; Y130-Y201 HydrophobicContact CD2-CE1 3.76Å; Y130-Y201 HydrophobicContact CE1-CE1 4.48Å; Y130-Y201 AromaticContact CE2-CD1 3.53Å; Y130-Y201 HydrophobicContact CE2-CD1 3.53Å; Y130-Y201 AromaticContact CE2-CE1 3.53Å; Y130-Y201 HydrophobicContact CE2-CE1 3.53Å; Y130-Y201 HydrophobicContact CG-CD1 4.3Å; Y130-Y201 HydrophobicContact CG-CE1 4.3Å; Y130-Y201 AromaticContact CZ-CE1 3.93Å; Y130-K202 HydrophobicContact CE2-CB 4.34Å |
| 131 | V | 94.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | -178.4 | 179.6 | 0 | 0 | 0 | 0 | 111 | Y27 W35 L127 Q128 L133 A134 S135 P142 | Y27-V131 HydrophobicContact CE1-CG1 4.12Å; Y27-V131 WeakPolarHBondContact OH-CG1 3.41Å; W35-V131 HydrophobicContact CD2-CG2 3.91Å; W35-V131 HydrophobicContact CE3-CG2 3.55Å; W35-V131 HydrophobicContact CZ3-CG2 3.9Å; L127-V131 PolarHBondContact O-N 3.38Å; Q128-V131 PolarHBondContact O-N 3Å; V131-L133 VanDerWaalsContact C-N 3.33Å; V131-L133 PolarHBondContact O-N 2.91Å; V131-A134 PolarHBondContact O-N 2.83Å; V131-S135 PolarHBondContact O-N 3.09Å; V131-S135 PolarHBondContact O-OG 2.79Å; V131-P142 HydrophobicContact CB-CB 4.41Å; V131-P142 HydrophobicContact CG1-CB 4.4Å; V131-P142 HydrophobicContact CG1-CG 4.06Å |
| 132 | F | 94.8 | Very high | 92.9 | Very high | 53 Ų | 53 | 37.8 Ų | 37.8 | 23% | 0.232 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -40.9 | 176.3 | -172.8 | -137.4 | 0 | 0 | 0 | 112.5 | Q128 Y130 F137 D139 P142 | Q128-F132 VanDerWaalsContact O-CB 3.29Å; Q128-F132 WeakPolarHBondContact O-CB 3.5Å; Q128-F132 PolarHBondContact O-N 2.61Å; Y130-F132 VanDerWaalsContact C-N 3.33Å; Y130-F132 PolarHBondContact O-N 3.08Å; F132-F137 AromaticContact CD1-CD1 3.94Å; F132-F137 HydrophobicContact CD1-CD1 3.94Å; F132-F137 HydrophobicContact CD1-CE1 4.41Å; F132-F137 AromaticContact CE1-CD1 3.67Å; F132-F137 HydrophobicContact CE1-CD1 3.67Å; F132-F137 HydrophobicContact CE1-CE1 4.32Å; F132-F137 HydrophobicContact CE2-CB 4.09Å; F132-F137 HydrophobicContact CE2-CD1 4.29Å; F132-F137 HydrophobicContact CG-CD1 4.37Å; F132-F137 HydrophobicContact CZ-CB 4.15Å; F132-F137 AromaticContact CZ-CD1 3.85Å; F132-F137 HydrophobicContact CZ-CD1 3.85Å; F132-F137 PolarHBondContact O-N 2.72Å; F132-D139 VanDerWaalsContact CD2-O 3.23Å; F132-D139 WeakPolarHBondContact CD2-O 3.21Å; F132-D139 WeakPolarHBondContact CE2-O 3.21Å; F132-P142 HydrophobicContact CB-CB 4.23Å |
| 133 | L | 92.7 | Very high | 92.9 | Very high | 16 Ų | 16 | 38 Ų | 38 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -77.1 | -25.6 | 176.8 | -173.2 | 66 | 0 | 0 | 0 | 113.4 | T129 Y130 V131 F137 V198 L199 K202 | T129-L133 VanDerWaalsContact O-CB 3.3Å; T129-L133 WeakPolarHBondContact O-CB 3.3Å; T129-L133 PolarHBondContact O-N 3.44Å; Y130-L133 CarbonylContact O-C 3.57Å; Y130-L133 PolarHBondContact O-N 3.21Å; V131-L133 VanDerWaalsContact C-N 3.33Å; V131-L133 PolarHBondContact O-N 2.91Å; L133-F137 HydrophobicContact CD1-CE1 3.95Å; L133-F137 HydrophobicContact CD1-CE2 4.2Å; L133-F137 HydrophobicContact CD1-CZ 3.49Å; L133-F137 VanDerWaalsContact CD1-CZ 3.49Å; L133-V198 HydrophobicContact CD2-CG1 3.95Å; L133-L199 HydrophobicContact CD2-CD2 3.81Å; L133-L199 HydrophobicContact CD2-CG 4.12Å; L133-K202 HydrophobicContact CD2-CD 4.09Å; L133-K202 HydrophobicContact CG-CD 4.08Å; L133-K202 PolarHBondContact O-NZ 3.32Å |
| 134 | A | 91 | Very high | 93 | Very high | 48 Ų | 48 | 38.6 Ų | 38.6 | 40% | 0.397 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -72.6 | -44.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y130 V131 G136 | Y130-A134 HydrophobicContact CE1-CB 4Å; Y130-A134 VanDerWaalsContact O-CB 3.31Å; Y130-A134 WeakPolarHBondContact O-CB 3.16Å; Y130-A134 PolarHBondContact O-N 3.13Å; V131-A134 PolarHBondContact O-N 2.83Å; A134-G136 PolarHBondContact O-N 3.1Å; A134-G136 VanDerWaalsContact O-N 3.12Å |
| 135 | S | 88.6 | Confident | 93 | Very high | 31 Ų | 31 | 38.6 Ų | 38.6 | 22% | 0.217 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 12.8 | 174.4 | -58.8 | 0 | 0 | 0 | 0 | 114.3 | V131 F137 T138 D139 | V131-S135 PolarHBondContact O-N 3.09Å; V131-S135 PolarHBondContact O-OG 2.79Å; S135-F137 VanDerWaalsContact C-N 3.27Å; S135-F137 PolarHBondContact O-N 3.25Å; S135-T138 WeakPolarHBondContact O-CB 3.45Å; S135-T138 PolarHBondContact O-N 3.44Å; S135-T138 PolarHBondContact O-OG1 3.45Å; S135-D139 WeakPolarHBondContact CB-OD2 3.43Å; S135-D139 PolarHBondContact OG-OD2 3.14Å |
| 136 | G | 86.2 | Confident | 93 | Very high | 46 Ų | 46 | 39.2 Ų | 39.2 | 47% | 0.474 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 36 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A134 T138 | A134-G136 PolarHBondContact O-N 3.1Å; A134-G136 VanDerWaalsContact O-N 3.12Å; G136-T138 PolarHBondContact O-N 3.46Å |
| 137 | F | 87.3 | Confident | 93 | Very high | 130 Ų | 130 | 41.5 Ų | 41.5 | 57% | 0.57 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 10 | -176 | -46 | -73.9 | 0 | 0 | 0 | 116.1 | F132 L133 S135 | F132-F137 AromaticContact CD1-CD1 3.94Å; F132-F137 HydrophobicContact CD1-CD1 3.94Å; F132-F137 HydrophobicContact CD1-CE1 4.41Å; F132-F137 AromaticContact CE1-CD1 3.67Å; F132-F137 HydrophobicContact CE1-CD1 3.67Å; F132-F137 HydrophobicContact CE1-CE1 4.32Å; F132-F137 HydrophobicContact CE2-CB 4.09Å; F132-F137 HydrophobicContact CE2-CD1 4.29Å; F132-F137 HydrophobicContact CG-CD1 4.37Å; F132-F137 HydrophobicContact CZ-CB 4.15Å; F132-F137 AromaticContact CZ-CD1 3.85Å; F132-F137 HydrophobicContact CZ-CD1 3.85Å; F132-F137 PolarHBondContact O-N 2.72Å; L133-F137 HydrophobicContact CD1-CE1 3.95Å; L133-F137 HydrophobicContact CD1-CE2 4.2Å; L133-F137 HydrophobicContact CD1-CZ 3.49Å; L133-F137 VanDerWaalsContact CD1-CZ 3.49Å; S135-F137 VanDerWaalsContact C-N 3.27Å; S135-F137 PolarHBondContact O-N 3.25Å |
| 138 | T | 89.6 | Confident | 93 | Very high | 108 Ų | 108 | 44.5 Ų | 44.5 | 66% | 0.663 | 25% | 0.251 | S | S | * | . | trans | -79.4 | -36.9 | -179.4 | 62 | 0 | 0 | 0 | 0 | 113.9 | S135 G136 I140 | S135-T138 WeakPolarHBondContact O-CB 3.45Å; S135-T138 PolarHBondContact O-N 3.44Å; S135-T138 PolarHBondContact O-OG1 3.45Å; G136-T138 PolarHBondContact O-N 3.46Å; T138-I140 PolarHBondContact O-N 3.11Å; T138-I140 VanDerWaalsContact O-N 3.16Å | ||
| 139 | D | 90.3 | Very high | 93 | Very high | 23 Ų | 23 | 44.5 Ų | 44.5 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | trans | -72.7 | 104.5 | 176.6 | -83.9 | -50.2 | 0 | 0 | 0 | 110.1 | Y26 R32 F132 S135 V141 P142 | Y26-D139 PolarHBondContact OH-OD1 2.95Å; R32-D139 IonicContact CZ-OD1 3.38Å; R32-D139 IonicContact CZ-OD2 2.73Å; R32-D139 IonicContact NH1-OD1 3.2Å; R32-D139 IonicContact NH1-OD2 2.95Å; R32-D139 PolarHBondContact NH1-OD2 2.75Å; R32-D139 IonicContact NH2-OD1 3.87Å; R32-D139 PolarHBondContact NH2-OD1 2.92Å; R32-D139 IonicContact NH2-OD2 3.54Å; R32-D139 PolarHBondContact NH2-OD2 2.82Å; F132-D139 VanDerWaalsContact CD2-O 3.23Å; F132-D139 WeakPolarHBondContact CD2-O 3.21Å; F132-D139 WeakPolarHBondContact CE2-O 3.21Å; S135-D139 WeakPolarHBondContact CB-OD2 3.43Å; S135-D139 PolarHBondContact OG-OD2 3.14Å; D139-V141 PolarHBondContact O-N 3.22Å; D139-P142 HydrophobicContact CB-CG 3.96Å; D139-P142 WeakPolarHBondContact O-CD 3.44Å | ||
| 140 | I | 92.6 | Very high | 93 | Very high | 128 Ų | 128 | 47 Ų | 47 | 66% | 0.656 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66.6 | -36.6 | -179.7 | -61.9 | 172.7 | 0 | 0 | 0 | 111.8 | T138 G143 V144 | T138-I140 PolarHBondContact O-N 3.11Å; T138-I140 VanDerWaalsContact O-N 3.16Å; I140-G143 PolarHBondContact O-N 3.48Å; I140-V144 HydrophobicContact CG2-CG2 3.92Å; I140-V144 WeakPolarHBondContact O-CG2 3.26Å; I140-V144 PolarHBondContact O-N 3.29Å |
| 141 | V | 93.4 | Very high | 93 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -48.8 | -171.5 | 175.6 | 0 | 0 | 0 | 0 | 113.3 | Y22 T23 Y26 D139 G143 V144 S145 | Y22-V141 HydrophobicContact CD1-CG1 3.67Å; Y22-V141 HydrophobicContact CE1-CB 4.37Å; Y22-V141 HydrophobicContact CE1-CG1 3.54Å; Y22-V141 HydrophobicContact CE1-CG2 3.87Å; T23-V141 HydrophobicContact CG2-CG1 3.91Å; Y26-V141 HydrophobicContact CD1-CB 4.16Å; Y26-V141 HydrophobicContact CD1-CG1 3.91Å; Y26-V141 HydrophobicContact CD2-CG2 4.33Å; Y26-V141 HydrophobicContact CE1-CB 4.17Å; Y26-V141 HydrophobicContact CE1-CG1 4.43Å; Y26-V141 HydrophobicContact CE2-CG2 4.25Å; Y26-V141 HydrophobicContact CG-CB 4.4Å; Y26-V141 HydrophobicContact CG-CG1 3.96Å; D139-V141 PolarHBondContact O-N 3.22Å; V141-G143 VanDerWaalsContact C-N 3.32Å; V141-G143 PolarHBondContact O-N 3.01Å; V141-V144 PolarHBondContact O-N 3.29Å; V141-S145 WeakPolarHBondContact O-CB 3.49Å; V141-S145 PolarHBondContact O-N 2.85Å |
| 142 | P | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.3 | -33.9 | 172.9 | -19.8 | 34.3 | 0 | 0 | 0 | 112.5 | Y27 Q128 V131 F132 D139 S145 T146 | Y27-P142 HydrophobicContact CE1-CG 4.48Å; Y27-P142 VanDerWaalsContact OH-CG 3.29Å; Y27-P142 WeakPolarHBondContact OH-CG 3.4Å; Q128-P142 HydrophobicContact CB-CB 4.5Å; V131-P142 HydrophobicContact CB-CB 4.41Å; V131-P142 HydrophobicContact CG1-CB 4.4Å; V131-P142 HydrophobicContact CG1-CG 4.06Å; F132-P142 HydrophobicContact CB-CB 4.23Å; D139-P142 HydrophobicContact CB-CG 3.96Å; D139-P142 WeakPolarHBondContact O-CD 3.44Å; P142-S145 PolarHBondContact O-N 2.64Å; P142-T146 VanDerWaalsContact O-CB 3.27Å; P142-T146 WeakPolarHBondContact O-CB 3.36Å; P142-T146 PolarHBondContact O-N 2.64Å; P142-T146 PolarHBondContact O-OG1 2.89Å |
| 143 | G | 94 | Very high | 93 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.1 | -47.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I140 V141 T146 L147 | I140-G143 PolarHBondContact O-N 3.48Å; V141-G143 VanDerWaalsContact C-N 3.32Å; V141-G143 PolarHBondContact O-N 3.01Å; G143-T146 WeakPolarHBondContact O-CB 3.47Å; G143-T146 PolarHBondContact O-N 2.81Å; G143-L147 WeakPolarHBondContact O-CG 3.42Å; G143-L147 PolarHBondContact O-N 2.87Å |
| 144 | V | 94.9 | Very high | 93.1 | Very high | 63 Ų | 63 | 43 Ų | 43 | 38% | 0.382 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | I140 V141 T146 L147 F148 | I140-V144 HydrophobicContact CG2-CG2 3.92Å; I140-V144 WeakPolarHBondContact O-CG2 3.26Å; I140-V144 PolarHBondContact O-N 3.29Å; V141-V144 PolarHBondContact O-N 3.29Å; V144-T146 VanDerWaalsContact C-N 3.32Å; V144-T146 PolarHBondContact O-N 3.27Å; V144-L147 PolarHBondContact O-N 2.7Å; V144-F148 HydrophobicContact CG1-CD2 3.76Å; V144-F148 HydrophobicContact CG1-CE2 3.48Å; V144-F148 VanDerWaalsContact CG1-CE2 3.48Å; V144-F148 WeakPolarHBondContact O-CD2 3.38Å; V144-F148 PolarHBondContact O-N 3.18Å; V144-F148 VanDerWaalsContact O-N 3.11Å |
| 145 | S | 95.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -38.1 | 175.8 | -162.1 | 0 | 0 | 0 | 0 | 112 | A19 T23 H124 V141 P142 S149 | A19-S145 PolarHBondContact O-OG 2.74Å; T23-S145 VanDerWaalsContact CG2-CB 3.48Å; T23-S145 PolarHBondContact OG1-OG 3.43Å; H124-S145 PolarHBondContact NE2-OG 2.87Å; V141-S145 WeakPolarHBondContact O-CB 3.49Å; V141-S145 PolarHBondContact O-N 2.85Å; P142-S145 PolarHBondContact O-N 2.64Å; S145-S149 VanDerWaalsContact O-CB 3.25Å; S145-S149 WeakPolarHBondContact O-CB 3.47Å; S145-S149 PolarHBondContact O-N 3.46Å; S145-S149 PolarHBondContact O-OG 3.16Å |
| 146 | T | 95.8 | Very high | 93.4 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 9% | 0.092 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.7 | -49.3 | 172.3 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | L125 Q128 T129 P142 G143 V144 S149 W150 | L125-T146 HydrophobicContact CD1-CG2 3.85Å; Q128-T146 VanDerWaalsContact C-OG1 3.22Å; Q128-T146 VanDerWaalsContact CB-OG1 3.24Å; Q128-T146 WeakPolarHBondContact CB-OG1 3.31Å; Q128-T146 PolarHBondContact O-OG1 2.83Å; T129-T146 PolarHBondContact N-OG1 3.45Å; T129-T146 VanDerWaalsContact OG1-CG2 3.31Å; T129-T146 WeakPolarHBondContact OG1-CG2 3.25Å; P142-T146 VanDerWaalsContact O-CB 3.27Å; P142-T146 WeakPolarHBondContact O-CB 3.36Å; P142-T146 PolarHBondContact O-N 2.64Å; P142-T146 PolarHBondContact O-OG1 2.89Å; G143-T146 WeakPolarHBondContact O-CB 3.47Å; G143-T146 PolarHBondContact O-N 2.81Å; V144-T146 VanDerWaalsContact C-N 3.32Å; V144-T146 PolarHBondContact O-N 3.27Å; T146-S149 PolarHBondContact O-N 2.83Å; T146-W150 VanDerWaalsContact O-CB 3.3Å; T146-W150 WeakPolarHBondContact O-CB 3.22Å; T146-W150 PolarHBondContact O-N 2.91Å |
| 147 | L | 95.8 | Very high | 93.7 | Very high | 98 Ų | 98 | 38.3 Ų | 38.3 | 51% | 0.513 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.4 | -44.5 | -178.5 | -71.3 | 171.1 | 0 | 0 | 0 | 112.8 | G143 V144 W150 S151 | G143-L147 WeakPolarHBondContact O-CG 3.42Å; G143-L147 PolarHBondContact O-N 2.87Å; V144-L147 PolarHBondContact O-N 2.7Å; L147-W150 HydrophobicContact CD2-CE3 4.19Å; L147-W150 HydrophobicContact CD2-CZ3 4.3Å; L147-S151 VanDerWaalsContact O-CB 3.32Å; L147-S151 WeakPolarHBondContact O-CB 3.33Å; L147-S151 PolarHBondContact O-N 3.43Å; L147-S151 VanDerWaalsContact O-N 3.09Å; L147-S151 PolarHBondContact O-OG 3.46Å |
| 148 | F | 95.3 | Very high | 93.8 | Very high | 80 Ų | 80 | 32.2 Ų | 32.2 | 35% | 0.351 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66.3 | -42.5 | 175.4 | -72.5 | -55.4 | 0 | 0 | 0 | 111.9 | A15 A19 V144 S151 S152 | A15-F148 HydrophobicContact CB-CD1 3.71Å; A15-F148 HydrophobicContact CB-CE1 3.83Å; A15-F148 HydrophobicContact CB-CG 4.16Å; A15-F148 HydrophobicContact CB-CZ 4.33Å; A19-F148 HydrophobicContact CB-CD2 3.93Å; V144-F148 HydrophobicContact CG1-CD2 3.76Å; V144-F148 HydrophobicContact CG1-CE2 3.48Å; V144-F148 VanDerWaalsContact CG1-CE2 3.48Å; V144-F148 WeakPolarHBondContact O-CD2 3.38Å; V144-F148 PolarHBondContact O-N 3.18Å; V144-F148 VanDerWaalsContact O-N 3.11Å; F148-S151 PolarHBondContact O-N 3.4Å; F148-S152 VanDerWaalsContact O-CB 3.23Å; F148-S152 WeakPolarHBondContact O-CB 3.42Å; F148-S152 PolarHBondContact O-N 2.9Å |
| 149 | S | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 179.6 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | T121 H124 S145 T146 S152 L153 | T121-S149 WeakPolarHBondContact CG2-O 3.45Å; H124-S149 PolarHBondContact CD2-OG 3.41Å; H124-S149 VanDerWaalsContact CD2-OG 3.27Å; S145-S149 VanDerWaalsContact O-CB 3.25Å; S145-S149 WeakPolarHBondContact O-CB 3.47Å; S145-S149 PolarHBondContact O-N 3.46Å; S145-S149 PolarHBondContact O-OG 3.16Å; T146-S149 PolarHBondContact O-N 2.83Å; S149-S152 PolarHBondContact O-N 3.48Å; S149-L153 WeakPolarHBondContact O-CB 3.39Å; S149-L153 PolarHBondContact O-N 3.12Å |
| 150 | W | 96.3 | Very high | 93.5 | Very high | 66 Ų | 66 | 27.7 Ų | 27.7 | 25% | 0.25 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 176 | 176.5 | 41 | 0 | 0 | 0 | 112.2 | L125 T146 L147 S154 M187 | L125-W150 HydrophobicContact CD1-CB 3.81Å; L125-W150 HydrophobicContact CD2-CB 4.13Å; T146-W150 VanDerWaalsContact O-CB 3.3Å; T146-W150 WeakPolarHBondContact O-CB 3.22Å; T146-W150 PolarHBondContact O-N 2.91Å; L147-W150 HydrophobicContact CD2-CE3 4.19Å; L147-W150 HydrophobicContact CD2-CZ3 4.3Å; W150-S154 VanDerWaalsContact O-CB 3.28Å; W150-S154 WeakPolarHBondContact O-CB 3.47Å; W150-S154 PolarHBondContact O-N 2.93Å; W150-S154 PolarHBondContact O-OG 3.09Å; W150-M187 HydrophobicContact CD2-CE 3.84Å; W150-M187 HydrophobicContact CE3-CE 3.64Å; W150-M187 HydrophobicContact CH2-CE 3.85Å; W150-M187 HydrophobicContact CZ2-CB 3.78Å; W150-M187 HydrophobicContact CZ2-CE 4.02Å; W150-M187 VanDerWaalsContact CZ2-O 3.31Å; W150-M187 WeakPolarHBondContact CZ2-O 3.19Å; W150-M187 HydrophobicContact CZ3-CE 3.65Å; W150-M187 PolarHBondContact NE1-O 3.26Å |
| 151 | S | 95.3 | Very high | 93 | Very high | 26 Ų | 26 | 23.2 Ų | 23.2 | 18% | 0.182 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.8 | -44.4 | 178.3 | -58 | 0 | 0 | 0 | 0 | 111.8 | L147 F148 S154 W155 Q183 | L147-S151 VanDerWaalsContact O-CB 3.32Å; L147-S151 WeakPolarHBondContact O-CB 3.33Å; L147-S151 PolarHBondContact O-N 3.43Å; L147-S151 VanDerWaalsContact O-N 3.09Å; L147-S151 PolarHBondContact O-OG 3.46Å; F148-S151 PolarHBondContact O-N 3.4Å; S151-S154 PolarHBondContact O-N 2.89Å; S151-W155 VanDerWaalsContact O-CB 3.32Å; S151-W155 WeakPolarHBondContact O-CB 3.48Å; S151-W155 PolarHBondContact O-N 2.74Å; S151-Q183 PolarHBondContact O-NE2 2.98Å |
| 152 | S | 94.2 | Very high | 92.3 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.8 | -42.6 | -177.4 | -155.5 | 0 | 0 | 0 | 0 | 112.5 | L12 R113 F148 S149 W155 A156 | L12-S152 PolarHBondContact O-OG 3.31Å; R113-S152 PolarHBondContact NH2-OG 3.37Å; F148-S152 VanDerWaalsContact O-CB 3.23Å; F148-S152 WeakPolarHBondContact O-CB 3.42Å; F148-S152 PolarHBondContact O-N 2.9Å; S149-S152 PolarHBondContact O-N 3.48Å; S152-W155 PolarHBondContact O-N 2.81Å; S152-A156 PolarHBondContact O-N 2.96Å |
| 153 | L | 94.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 172.9 | 173.5 | 53.9 | 0 | 0 | 0 | 111.4 | A117 L118 T121 L125 S149 W155 A156 L157 L190 | A117-L153 HydrophobicContact CB-CB 4.47Å; A117-L153 HydrophobicContact CB-CD1 3.7Å; L118-L153 HydrophobicContact CD2-CD1 4.08Å; L118-L153 HydrophobicContact CG-CD1 4.43Å; T121-L153 HydrophobicContact CG2-CB 4.26Å; L125-L153 HydrophobicContact CD2-CD2 4.21Å; S149-L153 WeakPolarHBondContact O-CB 3.39Å; S149-L153 PolarHBondContact O-N 3.12Å; L153-W155 VanDerWaalsContact C-N 3.3Å; L153-W155 PolarHBondContact O-N 3.4Å; L153-A156 PolarHBondContact O-N 3.26Å; L153-L157 WeakPolarHBondContact O-CG 3.48Å; L153-L157 PolarHBondContact O-N 3.47Å; L153-L157 VanDerWaalsContact O-N 3.13Å; L153-L190 HydrophobicContact CB-CD2 4.29Å; L153-L190 HydrophobicContact CD2-CD1 4.38Å; L153-L190 HydrophobicContact CD2-CD2 3.81Å; L153-L190 HydrophobicContact CG-CD2 3.73Å |
| 154 | S | 95.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 174.1 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | W150 S151 L157 V158 Q183 M187 | W150-S154 VanDerWaalsContact O-CB 3.28Å; W150-S154 WeakPolarHBondContact O-CB 3.47Å; W150-S154 PolarHBondContact O-N 2.93Å; W150-S154 PolarHBondContact O-OG 3.09Å; S151-S154 PolarHBondContact O-N 2.89Å; S154-L157 WeakPolarHBondContact O-CB 3.47Å; S154-L157 PolarHBondContact O-N 2.93Å; S154-V158 WeakPolarHBondContact O-CG2 3.03Å; S154-V158 PolarHBondContact O-N 2.89Å; S154-Q183 VanDerWaalsContact C-OE1 3.32Å; S154-Q183 PolarHBondContact O-OE1 3.35Å; S154-M187 VanDerWaalsContact CB-CG 3.45Å; S154-M187 WeakPolarHBondContact OG-CA 3.23Å; S154-M187 VanDerWaalsContact OG-CG 3.3Å; S154-M187 WeakPolarHBondContact OG-CG 3.43Å |
| 155 | W | 94.5 | Very high | 89 | Confident | 22 Ų | 22 | 23.6 Ų | 23.6 | 8% | 0.083 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.7 | -34.1 | 179.1 | -174.4 | -103.9 | 0 | 0 | 0 | 113 | L5 L8 S9 L12 S151 S152 L153 V158 S159 Q183 | L5-W155 HydrophobicContact CD1-CH2 3.66Å; L5-W155 HydrophobicContact CD1-CZ2 3.55Å; L5-W155 HydrophobicContact CG-CZ2 4.06Å; L8-W155 HydrophobicContact CD2-CH2 3.71Å; L8-W155 HydrophobicContact CD2-CZ2 3.83Å; L8-W155 HydrophobicContact CD2-CZ3 4.33Å; L8-W155 HydrophobicContact CG-CZ2 4.26Å; S9-W155 PolarHBondContact OG-NE1 3.38Å; L12-W155 HydrophobicContact CD2-CB 3.5Å; L12-W155 HydrophobicContact CD2-CD2 4.43Å; L12-W155 HydrophobicContact CD2-CG 3.71Å; S151-W155 VanDerWaalsContact O-CB 3.32Å; S151-W155 WeakPolarHBondContact O-CB 3.48Å; S151-W155 PolarHBondContact O-N 2.74Å; S152-W155 PolarHBondContact O-N 2.81Å; L153-W155 VanDerWaalsContact C-N 3.3Å; L153-W155 PolarHBondContact O-N 3.4Å; W155-V158 PolarHBondContact O-N 2.91Å; W155-S159 VanDerWaalsContact O-CB 3.31Å; W155-S159 WeakPolarHBondContact O-CB 3.35Å; W155-S159 PolarHBondContact O-N 3.08Å; W155-S159 PolarHBondContact O-OG 3.18Å; W155-Q183 VanDerWaalsContact CA-OE1 3.29Å; W155-Q183 HydrophobicContact CE3-CG 4.5Å |
| 156 | A | 92.3 | Very high | 87.6 | Confident | 4 Ų | 4 | 26.1 Ų | 26.1 | 3% | 0.033 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R113 A117 S152 L153 S159 Y160 | R113-A156 HydrophobicContact CG-CB 4.43Å; A117-A156 HydrophobicContact CB-CB 3.91Å; S152-A156 PolarHBondContact O-N 2.96Å; L153-A156 PolarHBondContact O-N 3.26Å; A156-S159 PolarHBondContact O-N 3.37Å; A156-Y160 WeakPolarHBondContact O-CB 3.44Å; A156-Y160 PolarHBondContact O-N 2.64Å |
| 157 | L | 91.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 174 | -64.6 | 168.2 | 0 | 0 | 0 | 112.2 | L114 L153 S154 T161 R186 C251 L253 | L114-L157 HydrophobicContact CD1-CD2 3.63Å; L114-L157 HydrophobicContact CD1-CG 4.32Å; L153-L157 WeakPolarHBondContact O-CG 3.48Å; L153-L157 PolarHBondContact O-N 3.47Å; L153-L157 VanDerWaalsContact O-N 3.13Å; S154-L157 WeakPolarHBondContact O-CB 3.47Å; S154-L157 PolarHBondContact O-N 2.93Å; L157-T161 WeakPolarHBondContact O-CB 3.28Å; L157-T161 WeakPolarHBondContact O-CG2 3.39Å; L157-T161 PolarHBondContact O-N 3.26Å; L157-T161 VanDerWaalsContact O-N 3.11Å; L157-T161 PolarHBondContact O-OG1 2.95Å; L157-R186 HydrophobicContact CB-CG 4.26Å; L157-C251 HydrophobicContact CD1-CB 3.98Å; L157-L253 HydrophobicContact CD2-CD1 4.44Å; L157-L253 HydrophobicContact CD2-CD2 3.62Å; L157-L253 HydrophobicContact CD2-CG 4.12Å |
| 158 | V | 90.8 | Very high | 84.2 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63 | -47.7 | 175.2 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | S154 W155 T161 R162 Q182 Q183 R186 | S154-V158 WeakPolarHBondContact O-CG2 3.03Å; S154-V158 PolarHBondContact O-N 2.89Å; W155-V158 PolarHBondContact O-N 2.91Å; V158-T161 PolarHBondContact O-N 3.19Å; V158-T161 PolarHBondContact O-OG1 3.38Å; V158-R162 WeakPolarHBondContact O-CB 3.44Å; V158-R162 PolarHBondContact O-N 2.85Å; V158-Q182 HydrophobicContact CG1-CB 3.96Å; V158-Q182 HydrophobicContact CG2-CB 4.02Å; V158-Q183 HydrophobicContact CG2-CB 4.36Å; V158-R186 HydrophobicContact CG2-CB 4.16Å; V158-R186 HydrophobicContact CG2-CG 3.73Å |
| 159 | S | 86.1 | Confident | 81.7 | Confident | 13 Ų | 13 | 29.7 Ų | 29.7 | 9% | 0.091 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.8 | -55.6 | 179.6 | -61.1 | 0 | 0 | 0 | 0 | 111.1 | W155 A156 T161 R162 F163 | W155-S159 VanDerWaalsContact O-CB 3.31Å; W155-S159 WeakPolarHBondContact O-CB 3.35Å; W155-S159 PolarHBondContact O-N 3.08Å; W155-S159 PolarHBondContact O-OG 3.18Å; A156-S159 PolarHBondContact O-N 3.37Å; S159-T161 PolarHBondContact O-N 3.13Å; S159-R162 WeakPolarHBondContact O-CB 3.41Å; S159-R162 PolarHBondContact O-N 3.32Å; S159-R162 VanDerWaalsContact O-N 3.1Å; S159-F163 WeakPolarHBondContact O-CD2 3.28Å; S159-F163 PolarHBondContact O-N 3.02Å |
| 160 | Y | 86.3 | Confident | 79.5 | Confident | 22 Ų | 22 | 33.2 Ų | 33.2 | 9% | 0.086 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.4 | -46.3 | 178.9 | 177.7 | -106.8 | 0 | 0 | 0 | 112.6 | L114 A156 R162 F163 M164 L253 F255 | L114-Y160 HydrophobicContact CD2-CD1 3.39Å; L114-Y160 HydrophobicContact CD2-CD2 3.78Å; L114-Y160 HydrophobicContact CD2-CE1 3.82Å; L114-Y160 HydrophobicContact CD2-CE2 4.19Å; L114-Y160 HydrophobicContact CD2-CG 3.35Å; A156-Y160 WeakPolarHBondContact O-CB 3.44Å; A156-Y160 PolarHBondContact O-N 2.64Å; Y160-R162 VanDerWaalsContact C-N 3.29Å; Y160-R162 PolarHBondContact O-N 3.25Å; Y160-F163 PolarHBondContact O-N 3.3Å; Y160-F163 VanDerWaalsContact O-N 3.17Å; Y160-M164 HydrophobicContact CD1-CG 4.46Å; Y160-M164 HydrophobicContact CD1-SD 4.1Å; Y160-M164 HydrophobicContact CE1-CG 4.09Å; Y160-M164 HydrophobicContact CE1-SD 3.35Å; Y160-M164 WeakPolarHBondContact CE1-SD 2.98Å; Y160-M164 HydrophobicContact CE2-CG 4.33Å; Y160-M164 HydrophobicContact CE2-SD 4.42Å; Y160-M164 VanDerWaalsContact CZ-SD 3.54Å; Y160-M164 PolarHBondContact O-N 2.89Å; Y160-L253 HydrophobicContact CD1-CD2 4.05Å; Y160-L253 HydrophobicContact CE1-CD2 4.3Å; Y160-F255 HydrophobicContact CE1-CE1 4.39Å; Y160-F255 WeakPolarHBondContact OH-CD1 3.43Å; Y160-F255 WeakPolarHBondContact OH-CE1 3.37Å |
| 161 | T | 81.9 | Confident | 77.5 | Confident | 35 Ų | 35 | 34 Ų | 34 | 22% | 0.215 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.4 | -26 | 179.4 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | L157 V158 S159 G165 | L157-T161 WeakPolarHBondContact O-CB 3.28Å; L157-T161 WeakPolarHBondContact O-CG2 3.39Å; L157-T161 PolarHBondContact O-N 3.26Å; L157-T161 VanDerWaalsContact O-N 3.11Å; L157-T161 PolarHBondContact O-OG1 2.95Å; V158-T161 PolarHBondContact O-N 3.19Å; V158-T161 PolarHBondContact O-OG1 3.38Å; S159-T161 PolarHBondContact O-N 3.13Å; T161-G165 PolarHBondContact O-N 2.94Å |
| 162 | R | 80.1 | Confident | 75.5 | Confident | 25 Ų | 25 | 38.8 Ų | 38.8 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.5 | -43 | 168.6 | 170.7 | 177.4 | 163.1 | 178 | -12.3 | 112.2 | H2 V158 S159 Y160 G165 F166 | H2-R162 PolarHBondContact NE2-NH2 3.23Å; V158-R162 WeakPolarHBondContact O-CB 3.44Å; V158-R162 PolarHBondContact O-N 2.85Å; S159-R162 WeakPolarHBondContact O-CB 3.41Å; S159-R162 PolarHBondContact O-N 3.32Å; S159-R162 VanDerWaalsContact O-N 3.1Å; Y160-R162 VanDerWaalsContact C-N 3.29Å; Y160-R162 PolarHBondContact O-N 3.25Å; R162-G165 WeakPolarHBondContact O-CA 3.21Å; R162-G165 PolarHBondContact O-N 2.72Å; R162-F166 HydrophobicContact CG-CD2 4.23Å; R162-F166 HydrophobicContact CG-CE2 3.95Å; R162-F166 HydrophobicContact CG-CZ 4.38Å; R162-F166 PolarHBondContact O-N 3.45Å |
| 163 | F | 73.1 | Confident | 74.1 | Confident | 20 Ų | 20 | 43 Ų | 43 | 9% | 0.088 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67 | -40.3 | 178.2 | -69 | -66.9 | 0 | 0 | 0 | 112.2 | E106 S110 S159 Y160 G165 F166 M167 | E106-F163 HydrophobicContact CB-CD1 4.43Å; E106-F163 HydrophobicContact CB-CE1 3.63Å; E106-F163 HydrophobicContact CB-CZ 3.86Å; E106-F163 VanDerWaalsContact OE2-CE1 3.28Å; E106-F163 WeakPolarHBondContact OE2-CE1 3.38Å; E106-F163 WeakPolarHBondContact OE2-CZ 3.49Å; S110-F163 VanDerWaalsContact OG-CD2 3.31Å; S110-F163 WeakPolarHBondContact OG-CD2 3.47Å; S159-F163 WeakPolarHBondContact O-CD2 3.28Å; S159-F163 PolarHBondContact O-N 3.02Å; Y160-F163 PolarHBondContact O-N 3.3Å; Y160-F163 VanDerWaalsContact O-N 3.17Å; F163-G165 PolarHBondContact O-N 2.93Å; F163-F166 HydrophobicContact CD1-CD2 4.03Å; F163-F166 HydrophobicContact CE1-CD2 4.37Å; F163-F166 PolarHBondContact O-N 3.19Å; F163-F166 VanDerWaalsContact O-N 3.15Å; F163-M167 PolarHBondContact O-N 3.31Å |
| 164 | M | 71.3 | Confident | 73.1 | Confident | 45 Ų | 45 | 44.4 Ų | 44.4 | 22% | 0.222 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -25.6 | 167.9 | -70.4 | -165.3 | 75.6 | 0 | 0 | 113.5 | Y160 S254 | Y160-M164 HydrophobicContact CD1-CG 4.46Å; Y160-M164 HydrophobicContact CD1-SD 4.1Å; Y160-M164 HydrophobicContact CE1-CG 4.09Å; Y160-M164 HydrophobicContact CE1-SD 3.35Å; Y160-M164 WeakPolarHBondContact CE1-SD 2.98Å; Y160-M164 HydrophobicContact CE2-CG 4.33Å; Y160-M164 HydrophobicContact CE2-SD 4.42Å; Y160-M164 VanDerWaalsContact CZ-SD 3.54Å; Y160-M164 PolarHBondContact O-N 2.89Å; M164-S254 WeakPolarHBondContact CE-O 3.45Å; M164-S254 VanDerWaalsContact SD-O 3.39Å |
| 165 | G | 68.1 | Low | 72.5 | Confident | 15 Ų | 15 | 47.5 Ų | 47.5 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.5 | -58.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T161 R162 F163 M167 K168 H171 | T161-G165 PolarHBondContact O-N 2.94Å; R162-G165 WeakPolarHBondContact O-CA 3.21Å; R162-G165 PolarHBondContact O-N 2.72Å; F163-G165 PolarHBondContact O-N 2.93Å; G165-M167 PolarHBondContact O-N 3.36Å; G165-K168 WeakPolarHBondContact O-CB 3.14Å; G165-K168 PolarHBondContact O-N 2.93Å; G165-H171 VanDerWaalsContact C-NE2 3.34Å; G165-H171 PolarHBondContact O-CD2 3.22Å; G165-H171 PolarHBondContact O-NE2 3.34Å; G165-H171 VanDerWaalsContact O-NE2 3.1Å |
| 166 | F | 65.4 | Low | 72.1 | Confident | 54 Ų | 54 | 52 Ų | 52 | 24% | 0.237 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.2 | -26.4 | -176.4 | -75 | -40.9 | 0 | 0 | 0 | 115.2 | H2 R162 F163 K168 H171 | H2-F166 AromaticContact NE2-CE2 3.8Å; H2-F166 AromaticContact NE2-CZ 3.78Å; R162-F166 HydrophobicContact CG-CD2 4.23Å; R162-F166 HydrophobicContact CG-CE2 3.95Å; R162-F166 HydrophobicContact CG-CZ 4.38Å; R162-F166 PolarHBondContact O-N 3.45Å; F163-F166 HydrophobicContact CD1-CD2 4.03Å; F163-F166 HydrophobicContact CE1-CD2 4.37Å; F163-F166 PolarHBondContact O-N 3.19Å; F163-F166 VanDerWaalsContact O-N 3.15Å; F166-K168 PolarHBondContact O-N 2.88Å; F166-H171 HydrophobicContact CD1-CB 4.21Å |
| 167 | M | 60.2 | Low | 71.8 | Confident | 86 Ų | 86 | 54.6 Ų | 54.6 | 42% | 0.424 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -2.9 | 173.9 | -67.2 | -56.9 | -72 | 0 | 0 | 114.4 | F163 G165 V408 | F163-M167 PolarHBondContact O-N 3.31Å; G165-M167 PolarHBondContact O-N 3.36Å; M167-V408 HydrophobicContact CE-CG2 3.99Å |
| 168 | K | 60.8 | Low | 71.6 | Confident | 85 Ų | 85 | 54.6 Ų | 54.6 | 37% | 0.37 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -100.6 | 133.6 | 177.2 | -67.4 | 165.4 | -179.8 | 169.2 | 0 | 111.4 | G165 F166 D257 | G165-K168 WeakPolarHBondContact O-CB 3.14Å; G165-K168 PolarHBondContact O-N 2.93Å; F166-K168 PolarHBondContact O-N 2.88Å; K168-D257 VanDerWaalsContact CE-CG 3.44Å; K168-D257 WeakPolarHBondContact CE-OD1 3.45Å; K168-D257 WeakPolarHBondContact CE-OD2 3.42Å; K168-D257 IonicContact NZ-OD1 2.84Å; K168-D257 PolarHBondContact NZ-OD1 3.03Å; K168-D257 IonicContact NZ-OD2 3.11Å; K168-D257 PolarHBondContact NZ-OD2 3.44Å |
| 169 | P | 42.3 | Very low | 71.5 | Confident | 97 Ų | 97 | 54.6 Ų | 54.6 | 63% | 0.63 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -56.2 | 139 | 175.1 | -26.6 | 35.1 | 0 | 0 | 0 | 113.3 | A423 | P169-A423 HydrophobicContact CG-CB 4.33Å; P169-A423 WeakPolarHBondContact CG-O 3.41Å |
| 170 | G | 49.4 | Very low | 71.7 | Confident | 74 Ų | 74 | 60.3 Ų | 60.3 | 76% | 0.763 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 97.3 | 27 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | L172 | G170-L172 PolarHBondContact O-N 3.25Š|
| 171 | H | 54.6 | Low | 72 | Confident | 82 Ų | 82 | 59.8 Ų | 59.8 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 119.8 | -174.6 | -109.1 | -74.8 | 0 | 0 | 0 | 115.5 | G165 F166 | G165-H171 VanDerWaalsContact C-NE2 3.34Å; G165-H171 PolarHBondContact O-CD2 3.22Å; G165-H171 PolarHBondContact O-NE2 3.34Å; G165-H171 VanDerWaalsContact O-NE2 3.1Å; F166-H171 HydrophobicContact CD1-CB 4.21Å |
| 172 | L | 54.2 | Low | 72.4 | Confident | 128 Ų | 128 | 58.7 Ų | 58.7 | 67% | 0.67 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 158.4 | 161.1 | -76.1 | 81.9 | 0 | 0 | 0 | 111.1 | G170 V174 | G170-L172 PolarHBondContact O-N 3.25Å; L172-V174 PolarHBondContact O-N 3.42Å |
| 173 | A | 64.4 | Low | 73.1 | Confident | 91 Ų | 91 | 58.5 Ų | 58.5 | 75% | 0.752 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 123.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 174 | V | 72.8 | Confident | 74.1 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 19% | 0.188 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 122.7 | 178.8 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | L172 A178 L179 | L172-V174 PolarHBondContact O-N 3.42Å; V174-A178 HydrophobicContact CG1-CB 3.7Å; V174-L179 HydrophobicContact CB-CD2 4.5Å; V174-L179 HydrophobicContact CG1-CD2 3.77Å; V174-L179 HydrophobicContact CG1-CG 4.09Å |
| 175 | P | 83.3 | Confident | 75.2 | Confident | 64 Ų | 64 | 58.4 Ų | 58.4 | 42% | 0.416 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -73 | 153.1 | -179.5 | 29.7 | -34.7 | 0 | 0 | 0 | 111.6 | A177 A178 L179 | P175-A177 PolarHBondContact O-N 3.11Å; P175-A177 VanDerWaalsContact O-N 3.15Å; P175-A178 HydrophobicContact CG-CB 3.92Å; P175-A178 WeakPolarHBondContact O-CB 3.27Å; P175-A178 PolarHBondContact O-N 3.37Å; P175-L179 PolarHBondContact O-N 2.9Å |
| 176 | W | 85.1 | Confident | 76.5 | Confident | 117 Ų | 117 | 58.1 Ų | 58.1 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -54.6 | -35 | 178.1 | -73.2 | 111.5 | 0 | 0 | 0 | 113.4 | L5 A178 L179 F180 | L5-W176 HydrophobicContact CD1-CH2 4.47Å; L5-W176 HydrophobicContact CD1-CZ3 4.18Å; W176-A178 VanDerWaalsContact C-N 3.3Å; W176-A178 PolarHBondContact O-N 3.38Å; W176-L179 HydrophobicContact CD2-CD1 4.45Å; W176-L179 HydrophobicContact CE3-CD1 3.82Å; W176-L179 HydrophobicContact CZ3-CD1 4.14Å; W176-L179 PolarHBondContact O-N 3.45Å; W176-F180 PolarHBondContact O-N 3.29Å |
| 177 | A | 87.3 | Confident | 77.9 | Confident | 59 Ų | 59 | 57 Ų | 57 | 49% | 0.488 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.7 | -37 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P175 C181 L318 | P175-A177 PolarHBondContact O-N 3.11Å; P175-A177 VanDerWaalsContact O-N 3.15Å; A177-C181 WeakPolarHBondContact O-CB 3.39Å; A177-C181 PolarHBondContact O-N 3.42Å; A177-L318 HydrophobicContact CB-CD2 4.48Å |
| 178 | A | 86.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.1 | -39.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | V174 P175 W176 C181 Q182 Y314 L318 | V174-A178 HydrophobicContact CG1-CB 3.7Å; P175-A178 HydrophobicContact CG-CB 3.92Å; P175-A178 WeakPolarHBondContact O-CB 3.27Å; P175-A178 PolarHBondContact O-N 3.37Å; W176-A178 VanDerWaalsContact C-N 3.3Å; W176-A178 PolarHBondContact O-N 3.38Å; A178-C181 PolarHBondContact O-N 3.04Å; A178-Q182 WeakPolarHBondContact O-CB 3.29Å; A178-Q182 VanDerWaalsContact O-CG 3.28Å; A178-Q182 WeakPolarHBondContact O-CG 3.24Å; A178-Q182 PolarHBondContact O-N 3.39Å; A178-Y314 HydrophobicContact CB-CD2 4.37Å; A178-Y314 HydrophobicContact CB-CE2 4.27Å; A178-L318 HydrophobicContact CB-CB 4.01Å; A178-L318 HydrophobicContact CB-CD1 4.45Å |
| 179 | L | 88.5 | Confident | 81.2 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 175.6 | -57.9 | 175.3 | 0 | 0 | 0 | 111.6 | L5 V174 P175 W176 Q182 Q183 | L5-L179 HydrophobicContact CD1-CD1 3.85Å; V174-L179 HydrophobicContact CB-CD2 4.5Å; V174-L179 HydrophobicContact CG1-CD2 3.77Å; V174-L179 HydrophobicContact CG1-CG 4.09Å; P175-L179 PolarHBondContact O-N 2.9Å; W176-L179 HydrophobicContact CD2-CD1 4.45Å; W176-L179 HydrophobicContact CE3-CD1 3.82Å; W176-L179 HydrophobicContact CZ3-CD1 4.14Å; W176-L179 PolarHBondContact O-N 3.45Å; L179-Q182 PolarHBondContact O-N 3.22Å; L179-Q183 WeakPolarHBondContact O-CB 3.4Å; L179-Q183 PolarHBondContact O-N 3.24Å |
| 180 | F | 91.1 | Very high | 83.8 | Confident | 133 Ų | 133 | 45 Ų | 45 | 58% | 0.583 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | 174.8 | -178.5 | -109.6 | 0 | 0 | 0 | 111.9 | W176 Q183 L184 | W176-F180 PolarHBondContact O-N 3.29Å; F180-Q183 PolarHBondContact O-N 3.2Å; F180-L184 HydrophobicContact CD1-CD1 4.06Å; F180-L184 HydrophobicContact CD1-CG 4.49Å; F180-L184 HydrophobicContact CE1-CD1 3.47Å; F180-L184 VanDerWaalsContact CE1-CD1 3.47Å; F180-L184 HydrophobicContact CE1-CG 4.11Å; F180-L184 HydrophobicContact CE2-CD1 4.49Å; F180-L184 HydrophobicContact CE2-CD2 4.47Å; F180-L184 HydrophobicContact CE2-CG 4.33Å; F180-L184 HydrophobicContact CZ-CD1 3.72Å; F180-L184 HydrophobicContact CZ-CD2 4.24Å; F180-L184 HydrophobicContact CZ-CG 4.02Å; F180-L184 PolarHBondContact O-N 2.96Å |
| 181 | C | 91.1 | Very high | 86 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 176.5 | -162.7 | 0 | 0 | 0 | 0 | 112.2 | A177 A178 W185 S310 L318 | A177-C181 WeakPolarHBondContact O-CB 3.39Å; A177-C181 PolarHBondContact O-N 3.42Å; A178-C181 PolarHBondContact O-N 3.04Å; C181-W185 WeakPolarHBondContact O-CB 3.29Å; C181-W185 PolarHBondContact O-N 2.93Å; C181-S310 PolarHBondContact SG-O 3.26Å; C181-L318 HydrophobicContact CB-CD1 4.02Å |
| 182 | Q | 91.4 | Very high | 88 | Confident | 12 Ų | 12 | 38.3 Ų | 38.3 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 170.7 | -74.4 | 175.6 | -37.7 | 0 | 0 | 112 | V158 A178 L179 W185 R186 Y314 | V158-Q182 HydrophobicContact CG1-CB 3.96Å; V158-Q182 HydrophobicContact CG2-CB 4.02Å; A178-Q182 WeakPolarHBondContact O-CB 3.29Å; A178-Q182 VanDerWaalsContact O-CG 3.28Å; A178-Q182 WeakPolarHBondContact O-CG 3.24Å; A178-Q182 PolarHBondContact O-N 3.39Å; L179-Q182 PolarHBondContact O-N 3.22Å; Q182-W185 PolarHBondContact O-N 3.31Å; Q182-R186 WeakPolarHBondContact O-CG 3.42Å; Q182-R186 PolarHBondContact O-N 2.93Å; Q182-Y314 HydrophobicContact CG-CD2 3.75Å; Q182-Y314 HydrophobicContact CG-CE1 4.48Å; Q182-Y314 HydrophobicContact CG-CE2 3.71Å; Q182-Y314 HydrophobicContact CG-CG 4.18Å; Q182-Y314 VanDerWaalsContact NE2-CZ 3.28Å; Q182-Y314 PolarHBondContact NE2-OH 3.02Å; Q182-Y314 VanDerWaalsContact NE2-OH 3.15Å |
| 183 | Q | 94 | Very high | 90 | Very high | 21 Ų | 21 | 32.3 Ų | 32.3 | 10% | 0.098 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -46.8 | 177.3 | -179.2 | 67.1 | 5.1 | 0 | 0 | 111.7 | S151 S154 W155 V158 L179 F180 W185 R186 M187 | S151-Q183 PolarHBondContact O-NE2 2.98Å; S154-Q183 VanDerWaalsContact C-OE1 3.32Å; S154-Q183 PolarHBondContact O-OE1 3.35Å; W155-Q183 VanDerWaalsContact CA-OE1 3.29Å; W155-Q183 HydrophobicContact CE3-CG 4.5Å; V158-Q183 HydrophobicContact CG2-CB 4.36Å; L179-Q183 WeakPolarHBondContact O-CB 3.4Å; L179-Q183 PolarHBondContact O-N 3.24Å; F180-Q183 PolarHBondContact O-N 3.2Å; Q183-W185 VanDerWaalsContact C-N 3.34Å; Q183-W185 PolarHBondContact O-N 3.34Å; Q183-R186 PolarHBondContact O-N 3.47Å; Q183-M187 HydrophobicContact CG-CG 4.29Å; Q183-M187 HydrophobicContact CG-SD 3.85Å; Q183-M187 PolarHBondContact NE2-SD 3.39Å; Q183-M187 VanDerWaalsContact NE2-SD 3.39Å; Q183-M187 VanDerWaalsContact O-CB 3.32Å; Q183-M187 WeakPolarHBondContact O-CB 3.17Å; Q183-M187 VanDerWaalsContact O-CG 3.3Å; Q183-M187 WeakPolarHBondContact O-CG 3.3Å; Q183-M187 PolarHBondContact O-N 2.85Å |
| 184 | L | 94.8 | Very high | 91.5 | Very high | 56 Ų | 56 | 28.3 Ų | 28.3 | 29% | 0.293 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.4 | -72.3 | -177.2 | 0 | 0 | 0 | 112.3 | F180 G188 S310 | F180-L184 HydrophobicContact CD1-CD1 4.06Å; F180-L184 HydrophobicContact CD1-CG 4.49Å; F180-L184 HydrophobicContact CE1-CD1 3.47Å; F180-L184 VanDerWaalsContact CE1-CD1 3.47Å; F180-L184 HydrophobicContact CE1-CG 4.11Å; F180-L184 HydrophobicContact CE2-CD1 4.49Å; F180-L184 HydrophobicContact CE2-CD2 4.47Å; F180-L184 HydrophobicContact CE2-CG 4.33Å; F180-L184 HydrophobicContact CZ-CD1 3.72Å; F180-L184 HydrophobicContact CZ-CD2 4.24Å; F180-L184 HydrophobicContact CZ-CG 4.02Å; F180-L184 PolarHBondContact O-N 2.96Å; L184-G188 PolarHBondContact O-N 2.65Å; L184-S310 WeakPolarHBondContact CB-OG 3.38Å |
| 185 | W | 94.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 29.5 Ų | 29.5 | 3% | 0.027 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.4 | -51.7 | 172.5 | 162.5 | 38 | 0 | 0 | 0 | 111.6 | C181 Q182 Q183 G188 M189 M264 Y268 L311 | C181-W185 WeakPolarHBondContact O-CB 3.29Å; C181-W185 PolarHBondContact O-N 2.93Å; Q182-W185 PolarHBondContact O-N 3.31Å; Q183-W185 VanDerWaalsContact C-N 3.34Å; Q183-W185 PolarHBondContact O-N 3.34Å; W185-G188 PolarHBondContact O-N 3.24Å; W185-M189 WeakPolarHBondContact O-CG 3.36Å; W185-M189 PolarHBondContact O-N 3.07Å; W185-M264 HydrophobicContact CH2-CE 3.34Å; W185-M264 HydrophobicContact CZ2-CE 3.18Å; W185-M264 HydrophobicContact CZ3-CE 4.36Å; W185-Y268 HydrophobicContact CZ2-CE2 4.01Å; W185-Y268 WeakPolarHBondContact CZ2-OH 3.4Å; W185-Y268 AromaticContact NE1-CE2 3.96Å; W185-Y268 AromaticContact NE1-CZ 3.75Å; W185-Y268 PolarHBondContact NE1-OH 2.71Å; W185-L311 HydrophobicContact CD2-CB 4.3Å; W185-L311 HydrophobicContact CD2-CD1 3.88Å; W185-L311 HydrophobicContact CE3-CD1 4.2Å; W185-L311 HydrophobicContact CG-CB 3.94Å; W185-L311 HydrophobicContact CG-CD1 4.41Å; W185-L311 HydrophobicContact CH2-CD1 4.29Å; W185-L311 HydrophobicContact CZ2-CD1 3.98Å; W185-L311 HydrophobicContact CZ3-CD1 4.38Å |
| 186 | R | 94.6 | Very high | 93.3 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 3% | 0.034 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.1 | -43.9 | -179.2 | -68.5 | -53.2 | -172.8 | 153.1 | -4.2 | 112.7 | L157 V158 Q182 Q183 L190 Y252 | L157-R186 HydrophobicContact CB-CG 4.26Å; V158-R186 HydrophobicContact CG2-CB 4.16Å; V158-R186 HydrophobicContact CG2-CG 3.73Å; Q182-R186 WeakPolarHBondContact O-CG 3.42Å; Q182-R186 PolarHBondContact O-N 2.93Å; Q183-R186 PolarHBondContact O-N 3.47Å; R186-L190 WeakPolarHBondContact O-CB 3.23Å; R186-L190 PolarHBondContact O-N 3.33Å; R186-L190 VanDerWaalsContact O-N 3.11Å; R186-Y252 PolarHBondContact NH1-O 3.34Å |
| 187 | M | 95.2 | Very high | 93.8 | Very high | 30 Ų | 30 | 21.4 Ų | 21.4 | 15% | 0.148 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.5 | -49.2 | 175 | -74.6 | -178.6 | 73.7 | 0 | 0 | 111.3 | W150 S154 Q183 L190 G191 | W150-M187 HydrophobicContact CD2-CE 3.84Å; W150-M187 HydrophobicContact CE3-CE 3.64Å; W150-M187 HydrophobicContact CH2-CE 3.85Å; W150-M187 HydrophobicContact CZ2-CB 3.78Å; W150-M187 HydrophobicContact CZ2-CE 4.02Å; W150-M187 VanDerWaalsContact CZ2-O 3.31Å; W150-M187 WeakPolarHBondContact CZ2-O 3.19Å; W150-M187 HydrophobicContact CZ3-CE 3.65Å; W150-M187 PolarHBondContact NE1-O 3.26Å; S154-M187 VanDerWaalsContact CB-CG 3.45Å; S154-M187 WeakPolarHBondContact OG-CA 3.23Å; S154-M187 VanDerWaalsContact OG-CG 3.3Å; S154-M187 WeakPolarHBondContact OG-CG 3.43Å; Q183-M187 HydrophobicContact CG-CG 4.29Å; Q183-M187 HydrophobicContact CG-SD 3.85Å; Q183-M187 PolarHBondContact NE2-SD 3.39Å; Q183-M187 VanDerWaalsContact NE2-SD 3.39Å; Q183-M187 VanDerWaalsContact O-CB 3.32Å; Q183-M187 WeakPolarHBondContact O-CB 3.17Å; Q183-M187 VanDerWaalsContact O-CG 3.3Å; Q183-M187 WeakPolarHBondContact O-CG 3.3Å; Q183-M187 PolarHBondContact O-N 2.85Å; M187-L190 PolarHBondContact O-N 3.27Å; M187-G191 WeakPolarHBondContact O-CA 3.4Å; M187-G191 PolarHBondContact O-N 3.24Å |
| 188 | G | 95.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 6% | 0.062 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.2 | -52.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L184 W185 G191 T192 G303 | L184-G188 PolarHBondContact O-N 2.65Å; W185-G188 PolarHBondContact O-N 3.24Å; G188-G191 PolarHBondContact O-N 3.44Å; G188-T192 PolarHBondContact O-N 2.74Å; G188-T192 VanDerWaalsContact O-N 3.13Å; G188-T192 PolarHBondContact O-OG1 2.72Å; G188-G303 CarbonylContact C-O 3.52Å; G188-G303 WeakPolarHBondContact CA-O 3.31Å |
| 189 | M | 95.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 19.7 Ų | 19.7 | 3% | 0.03 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.2 | -44 | -178.8 | -56.8 | -50.3 | -141.6 | 0 | 0 | 112.4 | W185 R193 Y268 F304 S308 L311 | W185-M189 WeakPolarHBondContact O-CG 3.36Å; W185-M189 PolarHBondContact O-N 3.07Å; M189-R193 PolarHBondContact O-N 3.42Å; M189-Y268 HydrophobicContact CB-CE1 3.92Å; M189-Y268 HydrophobicContact CE-CD1 3.79Å; M189-Y268 HydrophobicContact CE-CD2 4.4Å; M189-Y268 HydrophobicContact CE-CE1 4.15Å; M189-Y268 HydrophobicContact CE-CG 3.94Å; M189-Y268 HydrophobicContact CG-CD1 4.21Å; M189-Y268 HydrophobicContact CG-CE1 3.73Å; M189-Y268 HydrophobicContact SD-CD1 4.42Å; M189-F304 HydrophobicContact CE-CD1 4.36Å; M189-F304 HydrophobicContact CE-CE1 3.78Å; M189-F304 HydrophobicContact CE-CE2 4Å; M189-F304 HydrophobicContact CE-CZ 3.57Å; M189-F304 HydrophobicContact SD-CD1 4.08Å; M189-F304 HydrophobicContact SD-CD2 3.56Å; M189-F304 VanDerWaalsContact SD-CD2 3.56Å; M189-F304 HydrophobicContact SD-CE1 3.98Å; M189-F304 HydrophobicContact SD-CE2 3.48Å; M189-F304 WeakPolarHBondContact SD-CE2 3.31Å; M189-F304 HydrophobicContact SD-CG 3.87Å; M189-F304 HydrophobicContact SD-CZ 3.69Å; M189-S308 WeakPolarHBondContact CE-OG 3.27Å; M189-L311 HydrophobicContact CE-CD2 4.42Å |
| 190 | L | 95.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.016 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.1 | -40.6 | 178.7 | 178.7 | 64 | 0 | 0 | 0 | 111.6 | L125 L153 R186 M187 R193 V194 L250 | L125-L190 HydrophobicContact CD2-CD2 4.42Å; L153-L190 HydrophobicContact CB-CD2 4.29Å; L153-L190 HydrophobicContact CD2-CD1 4.38Å; L153-L190 HydrophobicContact CD2-CD2 3.81Å; L153-L190 HydrophobicContact CG-CD2 3.73Å; R186-L190 WeakPolarHBondContact O-CB 3.23Å; R186-L190 PolarHBondContact O-N 3.33Å; R186-L190 VanDerWaalsContact O-N 3.11Å; M187-L190 PolarHBondContact O-N 3.27Å; L190-R193 PolarHBondContact O-N 3.3Å; L190-V194 HydrophobicContact CD1-CG2 4.01Å; L190-V194 HydrophobicContact CG-CG2 4.29Å; L190-V194 WeakPolarHBondContact O-CB 3.43Å; L190-V194 WeakPolarHBondContact O-CG2 3.16Å; L190-V194 PolarHBondContact O-N 3.23Å; L190-L250 HydrophobicContact CD1-CB 4.36Å |
| 191 | G | 95.8 | Very high | 95 | Very high | 15 Ų | 15 | 18.2 Ų | 18.2 | 16% | 0.155 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.7 | -47.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M187 G188 R193 V194 L195 | M187-G191 WeakPolarHBondContact O-CA 3.4Å; M187-G191 PolarHBondContact O-N 3.24Å; G188-G191 PolarHBondContact O-N 3.44Å; G191-R193 VanDerWaalsContact C-N 3.33Å; G191-R193 PolarHBondContact O-N 3.46Å; G191-V194 PolarHBondContact O-N 3.45Å; G191-L195 WeakPolarHBondContact O-CB 3.31Å; G191-L195 PolarHBondContact O-N 3.02Å |
| 192 | T | 96.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.2 | -43.1 | 173.4 | -62.8 | 0 | 0 | 0 | 0 | 111.6 | G188 S196 N275 V300 F304 | G188-T192 PolarHBondContact O-N 2.74Å; G188-T192 VanDerWaalsContact O-N 3.13Å; G188-T192 PolarHBondContact O-OG1 2.72Å; T192-S196 VanDerWaalsContact O-CB 3.3Å; T192-S196 WeakPolarHBondContact O-CB 3.46Å; T192-S196 PolarHBondContact O-N 3.41Å; T192-S196 PolarHBondContact O-OG 2.83Å; T192-N275 HydrophobicContact CG2-CB 4.16Å; T192-V300 HydrophobicContact CG2-CG1 4.05Å; T192-V300 PolarHBondContact OG1-O 3.24Å; T192-F304 HydrophobicContact CG2-CB 4.01Å; T192-F304 HydrophobicContact CG2-CD2 4.22Å; T192-F304 PolarHBondContact OG1-N 2.93Å |
| 193 | R | 96.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.6 | -43.9 | -179.4 | -176.3 | 56.5 | 164.7 | -164.6 | -6.1 | 113 | M189 L190 G191 S196 L197 H215 I249 M271 E274 N275 | M189-R193 PolarHBondContact O-N 3.42Å; L190-R193 PolarHBondContact O-N 3.3Å; G191-R193 VanDerWaalsContact C-N 3.33Å; G191-R193 PolarHBondContact O-N 3.46Å; R193-S196 PolarHBondContact O-OG 3.2Å; R193-L197 HydrophobicContact CG-CD1 4.11Å; R193-L197 WeakPolarHBondContact O-CB 3.3Å; R193-L197 WeakPolarHBondContact O-CD1 3.38Å; R193-L197 VanDerWaalsContact O-CG 3.24Å; R193-L197 WeakPolarHBondContact O-CG 3.36Å; R193-L197 PolarHBondContact O-N 2.67Å; R193-L197 VanDerWaalsContact O-N 3.16Å; R193-H215 PolarHBondContact NH2-CE1 2.74Å; R193-H215 VanDerWaalsContact NH2-CE1 3.3Å; R193-H215 PolarHBondContact NH2-ND1 2.86Å; R193-I249 PolarHBondContact NE-O 3.32Å; R193-I249 PolarHBondContact NH2-O 3.36Å; R193-M271 HydrophobicContact CB-SD 4.26Å; R193-M271 HydrophobicContact CG-CE 4.01Å; R193-M271 HydrophobicContact CG-SD 4.24Å; R193-E274 IonicContact CZ-OE2 3.79Å; R193-E274 VanDerWaalsContact CZ-OE2 3.22Å; R193-E274 IonicContact NH1-OE2 3.69Å; R193-E274 PolarHBondContact NH1-OE2 2.95Å; R193-E274 IonicContact NH2-OE2 3.45Å; R193-E274 PolarHBondContact NH2-OE2 2.87Å; R193-N275 WeakPolarHBondContact CD-OD1 3.15Å; R193-N275 PolarHBondContact NH1-OD1 3.24Å |
| 194 | V | 96.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 26.3 Ų | 26.3 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.4 | -47.9 | 175.3 | 163.8 | 0 | 0 | 0 | 0 | 110.1 | L125 L126 T129 L190 G191 L197 V198 | L125-V194 HydrophobicContact CD1-CG1 4.46Å; L125-V194 HydrophobicContact CD2-CG2 3.88Å; L125-V194 HydrophobicContact CG-CG1 4.04Å; L125-V194 HydrophobicContact CG-CG2 4.2Å; L126-V194 HydrophobicContact CD2-CG1 4.23Å; L126-V194 HydrophobicContact CD2-CG2 4.37Å; T129-V194 HydrophobicContact CG2-CG1 4.24Å; L190-V194 HydrophobicContact CD1-CG2 4.01Å; L190-V194 HydrophobicContact CG-CG2 4.29Å; L190-V194 WeakPolarHBondContact O-CB 3.43Å; L190-V194 WeakPolarHBondContact O-CG2 3.16Å; L190-V194 PolarHBondContact O-N 3.23Å; G191-V194 PolarHBondContact O-N 3.45Å; V194-L197 PolarHBondContact O-N 2.96Å; V194-V198 WeakPolarHBondContact O-CB 3.46Å; V194-V198 VanDerWaalsContact O-CG2 3.25Å; V194-V198 WeakPolarHBondContact O-CG2 3.31Å; V194-V198 PolarHBondContact O-N 3.48Å |
| 195 | L | 96.4 | Very high | 94.6 | Very high | 56 Ų | 56 | 28.1 Ų | 28.1 | 29% | 0.293 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -72.8 | -33.4 | -174.4 | -166.7 | 53.9 | 0 | 0 | 0 | 112.4 | T129 G191 L199 V300 | T129-L195 HydrophobicContact CG2-CD1 3.94Å; G191-L195 WeakPolarHBondContact O-CB 3.31Å; G191-L195 PolarHBondContact O-N 3.02Å; L195-L199 HydrophobicContact CG-CD1 4.28Å; L195-L199 VanDerWaalsContact O-CB 3.32Å; L195-L199 WeakPolarHBondContact O-CB 3.29Å; L195-L199 WeakPolarHBondContact O-CD1 3.32Å; L195-L199 VanDerWaalsContact O-CG 3.29Å; L195-L199 WeakPolarHBondContact O-CG 3.3Å; L195-L199 PolarHBondContact O-N 2.63Å; L195-V300 HydrophobicContact CB-CG1 3.95Å; L195-V300 HydrophobicContact CD2-CB 4.38Å; L195-V300 HydrophobicContact CD2-CG1 4.12Å; L195-V300 HydrophobicContact CD2-CG2 3.57Å; L195-V300 HydrophobicContact CG-CG1 4.11Å; L195-V300 HydrophobicContact CG-CG2 3.81Å |
| 196 | S | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.3 | -44.3 | 172.5 | 67.7 | 0 | 0 | 0 | 0 | 112.4 | T192 R193 F200 N275 | T192-S196 VanDerWaalsContact O-CB 3.3Å; T192-S196 WeakPolarHBondContact O-CB 3.46Å; T192-S196 PolarHBondContact O-N 3.41Å; T192-S196 PolarHBondContact O-OG 2.83Å; R193-S196 PolarHBondContact O-OG 3.2Å; S196-F200 WeakPolarHBondContact O-CB 3.36Å; S196-F200 PolarHBondContact O-N 3.35Å; S196-N275 PolarHBondContact OG-OD1 2.96Å |
| 197 | L | 95.7 | Very high | 94.4 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 176.2 | -71 | 169.9 | 0 | 0 | 0 | 111.9 | L126 R193 V194 F200 Y201 V208 L250 L278 | L126-L197 HydrophobicContact CD2-CB 4.43Å; R193-L197 HydrophobicContact CG-CD1 4.11Å; R193-L197 WeakPolarHBondContact O-CB 3.3Å; R193-L197 WeakPolarHBondContact O-CD1 3.38Å; R193-L197 VanDerWaalsContact O-CG 3.24Å; R193-L197 WeakPolarHBondContact O-CG 3.36Å; R193-L197 PolarHBondContact O-N 2.67Å; R193-L197 VanDerWaalsContact O-N 3.16Å; V194-L197 PolarHBondContact O-N 2.96Å; L197-F200 PolarHBondContact O-N 3.21Å; L197-Y201 WeakPolarHBondContact O-CB 3.46Å; L197-Y201 PolarHBondContact O-N 3.26Å; L197-V208 HydrophobicContact CB-CG2 4.44Å; L197-V208 HydrophobicContact CD2-CG2 3.9Å; L197-L250 HydrophobicContact CD1-CD2 4.15Å; L197-L278 HydrophobicContact CD2-CD1 3.97Å; L197-L278 HydrophobicContact CG-CD1 4.5Å |
| 198 | V | 96.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.3 | -39.7 | 179.4 | 168.1 | 0 | 0 | 0 | 0 | 112.2 | L126 T129 Y130 L133 V194 Y201 K202 | L126-V198 HydrophobicContact CD2-CG2 3.99Å; T129-V198 HydrophobicContact CG2-CB 4.31Å; T129-V198 HydrophobicContact CG2-CG1 4.07Å; T129-V198 HydrophobicContact CG2-CG2 4.25Å; Y130-V198 HydrophobicContact CD2-CG1 4.37Å; L133-V198 HydrophobicContact CD2-CG1 3.95Å; V194-V198 WeakPolarHBondContact O-CB 3.46Å; V194-V198 VanDerWaalsContact O-CG2 3.25Å; V194-V198 WeakPolarHBondContact O-CG2 3.31Å; V194-V198 PolarHBondContact O-N 3.48Å; V198-Y201 PolarHBondContact O-N 3.13Å; V198-K202 PolarHBondContact O-N 3.45Å |
| 199 | L | 94.5 | Very high | 94.1 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 171.1 | -80.3 | 163 | 0 | 0 | 0 | 111 | L133 L195 K202 A203 L279 A282 T296 V300 | L133-L199 HydrophobicContact CD2-CD2 3.81Å; L133-L199 HydrophobicContact CD2-CG 4.12Å; L195-L199 HydrophobicContact CG-CD1 4.28Å; L195-L199 VanDerWaalsContact O-CB 3.32Å; L195-L199 WeakPolarHBondContact O-CB 3.29Å; L195-L199 WeakPolarHBondContact O-CD1 3.32Å; L195-L199 VanDerWaalsContact O-CG 3.29Å; L195-L199 WeakPolarHBondContact O-CG 3.3Å; L195-L199 PolarHBondContact O-N 2.63Å; L199-K202 WeakPolarHBondContact O-CB 3.45Å; L199-K202 PolarHBondContact O-N 2.97Å; L199-K202 VanDerWaalsContact O-N 3.1Å; L199-A203 PolarHBondContact O-N 3.41Å; L199-A203 VanDerWaalsContact O-N 3.16Å; L199-L279 HydrophobicContact CD1-CD2 3.86Å; L199-L279 HydrophobicContact CD1-CG 4.49Å; L199-A282 HydrophobicContact CB-CB 4.02Å; L199-T296 HydrophobicContact CD1-CG2 3.98Å; L199-T296 HydrophobicContact CD2-CG2 4.23Å; L199-V300 HydrophobicContact CD1-CG2 3.88Å |
| 200 | F | 94.4 | Very high | 94 | Very high | 10 Ų | 10 | 48.8 Ų | 48.8 | 4% | 0.044 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.4 | -37.8 | 179.1 | -171.7 | -99.9 | 0 | 0 | 0 | 113.1 | S196 L197 K202 A203 Y204 W207 V208 V211 L278 L281 A282 | S196-F200 WeakPolarHBondContact O-CB 3.36Å; S196-F200 PolarHBondContact O-N 3.35Å; L197-F200 PolarHBondContact O-N 3.21Å; F200-K202 VanDerWaalsContact C-N 3.3Å; F200-K202 PolarHBondContact O-N 3.38Å; F200-A203 PolarHBondContact O-N 3.11Å; F200-Y204 AromaticContact CD2-CD2 3.6Å; F200-Y204 HydrophobicContact CD2-CD2 3.6Å; F200-Y204 HydrophobicContact CD2-CE2 4.01Å; F200-Y204 HydrophobicContact CE1-CD2 4.49Å; F200-Y204 AromaticContact CE2-CD2 3.32Å; F200-Y204 HydrophobicContact CE2-CD2 3.32Å; F200-Y204 AromaticContact CE2-CE2 3.7Å; F200-Y204 HydrophobicContact CE2-CE2 3.7Å; F200-Y204 HydrophobicContact CE2-CG 4.15Å; F200-Y204 HydrophobicContact CG-CD2 4.29Å; F200-Y204 AromaticContact CZ-CD2 3.82Å; F200-Y204 HydrophobicContact CZ-CD2 3.82Å; F200-Y204 HydrophobicContact CZ-CG 4.23Å; F200-Y204 PolarHBondContact O-N 3.41Å; F200-W207 HydrophobicContact CE1-CB 4.04Å; F200-W207 HydrophobicContact CZ-CB 4.29Å; F200-V208 HydrophobicContact CD1-CB 3.94Å; F200-V208 HydrophobicContact CD1-CG2 4.03Å; F200-V208 HydrophobicContact CE1-CB 4.45Å; F200-V211 HydrophobicContact CE1-CG2 3.85Å; F200-V211 HydrophobicContact CZ-CG2 4.11Å; F200-L278 HydrophobicContact CB-CB 4.47Å; F200-L278 HydrophobicContact CB-CD2 3.74Å; F200-L278 HydrophobicContact CD1-CD2 3.65Å; F200-L278 HydrophobicContact CD2-CD2 3.75Å; F200-L278 HydrophobicContact CE1-CD2 4.15Å; F200-L278 HydrophobicContact CE2-CD2 4.26Å; F200-L278 HydrophobicContact CG-CD2 3.42Å; F200-L278 VanDerWaalsContact CG-CD2 3.42Å; F200-L278 HydrophobicContact CZ-CD2 4.44Å; F200-L281 HydrophobicContact CD2-CB 4.19Å; F200-L281 HydrophobicContact CE2-CB 3.88Å; F200-L281 HydrophobicContact CE2-CD2 3.86Å; F200-A282 HydrophobicContact CB-CB 4.16Å; F200-A282 HydrophobicContact CD2-CB 4.32Å |
| 201 | Y | 94.3 | Very high | 93.9 | Very high | 96 Ų | 96 | 51 Ų | 51 | 38% | 0.376 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.1 | -34.6 | 170.1 | 176.5 | -94.3 | 0 | 0 | 0 | 112.6 | Y130 L197 V198 A203 H205 V208 | Y130-Y201 AromaticContact CD2-CD1 3.5Å; Y130-Y201 HydrophobicContact CD2-CD1 3.5Å; Y130-Y201 VanDerWaalsContact CD2-CD1 3.5Å; Y130-Y201 AromaticContact CD2-CE1 3.76Å; Y130-Y201 HydrophobicContact CD2-CE1 3.76Å; Y130-Y201 HydrophobicContact CE1-CE1 4.48Å; Y130-Y201 AromaticContact CE2-CD1 3.53Å; Y130-Y201 HydrophobicContact CE2-CD1 3.53Å; Y130-Y201 AromaticContact CE2-CE1 3.53Å; Y130-Y201 HydrophobicContact CE2-CE1 3.53Å; Y130-Y201 HydrophobicContact CG-CD1 4.3Å; Y130-Y201 HydrophobicContact CG-CE1 4.3Å; Y130-Y201 AromaticContact CZ-CE1 3.93Å; L197-Y201 WeakPolarHBondContact O-CB 3.46Å; L197-Y201 PolarHBondContact O-N 3.26Å; V198-Y201 PolarHBondContact O-N 3.13Å; Y201-A203 VanDerWaalsContact C-N 3.3Å; Y201-A203 PolarHBondContact O-N 2.95Å; Y201-H205 VanDerWaalsContact CD2-O 3.31Å; Y201-H205 WeakPolarHBondContact CD2-O 3.43Å; Y201-H205 WeakPolarHBondContact O-CA 2.92Å; Y201-H205 PolarHBondContact O-N 2.99Å; Y201-H205 PolarHBondContact O-ND1 3.31Å; Y201-V208 HydrophobicContact CD2-CG1 3.69Å; Y201-V208 HydrophobicContact CG-CG1 4.36Å |
| 202 | K | 92.4 | Very high | 93.8 | Very high | 95 Ų | 95 | 51.3 Ų | 51.3 | 41% | 0.413 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.5 | -29.3 | 176.1 | -172.1 | 173.9 | 178.8 | 180 | 0 | 112.6 | Y130 L133 V198 L199 F200 | Y130-K202 HydrophobicContact CE2-CB 4.34Å; L133-K202 HydrophobicContact CD2-CD 4.09Å; L133-K202 HydrophobicContact CG-CD 4.08Å; L133-K202 PolarHBondContact O-NZ 3.32Å; V198-K202 PolarHBondContact O-N 3.45Å; L199-K202 WeakPolarHBondContact O-CB 3.45Å; L199-K202 PolarHBondContact O-N 2.97Å; L199-K202 VanDerWaalsContact O-N 3.1Å; F200-K202 VanDerWaalsContact C-N 3.3Å; F200-K202 PolarHBondContact O-N 3.38Å |
| 203 | A | 90.6 | Very high | 93.6 | Very high | 42 Ų | 42 | 52.4 Ų | 52.4 | 35% | 0.347 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -88.9 | -44.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L199 F200 Y201 A282 | L199-A203 PolarHBondContact O-N 3.41Å; L199-A203 VanDerWaalsContact O-N 3.16Å; F200-A203 PolarHBondContact O-N 3.11Å; Y201-A203 VanDerWaalsContact C-N 3.3Å; Y201-A203 PolarHBondContact O-N 2.95Å; A203-A282 HydrophobicContact CB-CB 4.36Å |
| 204 | Y | 89.3 | Confident | 93.5 | Very high | 77 Ų | 77 | 54.8 Ų | 54.8 | 30% | 0.302 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -122.3 | 5.8 | -170.2 | -57.3 | -82.5 | 0 | 0 | 0 | 114.8 | F200 V206 W207 L281 | F200-Y204 AromaticContact CD2-CD2 3.6Å; F200-Y204 HydrophobicContact CD2-CD2 3.6Å; F200-Y204 HydrophobicContact CD2-CE2 4.01Å; F200-Y204 HydrophobicContact CE1-CD2 4.49Å; F200-Y204 AromaticContact CE2-CD2 3.32Å; F200-Y204 HydrophobicContact CE2-CD2 3.32Å; F200-Y204 AromaticContact CE2-CE2 3.7Å; F200-Y204 HydrophobicContact CE2-CE2 3.7Å; F200-Y204 HydrophobicContact CE2-CG 4.15Å; F200-Y204 HydrophobicContact CG-CD2 4.29Å; F200-Y204 AromaticContact CZ-CD2 3.82Å; F200-Y204 HydrophobicContact CZ-CD2 3.82Å; F200-Y204 HydrophobicContact CZ-CG 4.23Å; F200-Y204 PolarHBondContact O-N 3.41Å; Y204-V206 PolarHBondContact O-N 2.66Å; Y204-W207 PolarHBondContact O-N 3.2Å; Y204-L281 HydrophobicContact CE2-CB 3.91Å; Y204-L281 PolarHBondContact OH-O 3.13Å |
| 205 | H | 90.8 | Very high | 93.4 | Very high | 94 Ų | 94 | 54.6 Ų | 54.6 | 44% | 0.435 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | -104.7 | 176.5 | -59.9 | -39.8 | 0 | 0 | 0 | 113.8 | Y201 W207 V208 | Y201-H205 VanDerWaalsContact CD2-O 3.31Å; Y201-H205 WeakPolarHBondContact CD2-O 3.43Å; Y201-H205 WeakPolarHBondContact O-CA 2.92Å; Y201-H205 PolarHBondContact O-N 2.99Å; Y201-H205 PolarHBondContact O-ND1 3.31Å; H205-W207 PolarHBondContact O-N 3.04Å; H205-W207 VanDerWaalsContact O-N 3.16Å; H205-V208 WeakPolarHBondContact O-CG1 3.32Å; H205-V208 PolarHBondContact O-N 2.8Å |
| 206 | V | 90.8 | Very high | 93.3 | Very high | 106 Ų | 106 | 55.8 Ų | 55.8 | 64% | 0.642 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -30.9 | -174.1 | -176.4 | 0 | 0 | 0 | 0 | 112.8 | Y204 V208 L209 | Y204-V206 PolarHBondContact O-N 2.66Å; V206-V208 PolarHBondContact O-N 3.17Å; V206-V208 VanDerWaalsContact O-N 3.11Å; V206-L209 WeakPolarHBondContact O-CB 3.28Å; V206-L209 PolarHBondContact O-N 3.01Å |
| 207 | W | 92.7 | Very high | 93.2 | Very high | 161 Ų | 161 | 60.8 Ų | 60.8 | 61% | 0.61 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.9 | -22.6 | -178.2 | -73.5 | 100.9 | 0 | 0 | 0 | 114.1 | F200 Y204 H205 L209 V210 V211 | F200-W207 HydrophobicContact CE1-CB 4.04Å; F200-W207 HydrophobicContact CZ-CB 4.29Å; Y204-W207 PolarHBondContact O-N 3.2Å; H205-W207 PolarHBondContact O-N 3.04Å; H205-W207 VanDerWaalsContact O-N 3.16Å; W207-L209 PolarHBondContact O-N 3.46Å; W207-V210 HydrophobicContact CE3-CB 4.2Å; W207-V210 HydrophobicContact CE3-CG1 4.41Å; W207-V210 HydrophobicContact CE3-CG2 4.02Å; W207-V210 HydrophobicContact CZ3-CG2 4.46Å; W207-V210 WeakPolarHBondContact O-CB 3.01Å; W207-V210 PolarHBondContact O-N 3.46Å; W207-V210 VanDerWaalsContact O-N 3.09Å; W207-V211 PolarHBondContact O-N 3.19Å; W207-V211 VanDerWaalsContact O-N 3.1Å |
| 208 | V | 92.1 | Very high | 93.1 | Very high | 17 Ų | 17 | 64.4 Ų | 64.4 | 10% | 0.103 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.6 | -30.7 | 174.4 | 81 | 0 | 0 | 0 | 0 | 111.9 | L197 F200 Y201 H205 V206 V210 V211 A212 | L197-V208 HydrophobicContact CB-CG2 4.44Å; L197-V208 HydrophobicContact CD2-CG2 3.9Å; F200-V208 HydrophobicContact CD1-CB 3.94Å; F200-V208 HydrophobicContact CD1-CG2 4.03Å; F200-V208 HydrophobicContact CE1-CB 4.45Å; Y201-V208 HydrophobicContact CD2-CG1 3.69Å; Y201-V208 HydrophobicContact CG-CG1 4.36Å; H205-V208 WeakPolarHBondContact O-CG1 3.32Å; H205-V208 PolarHBondContact O-N 2.8Å; V206-V208 PolarHBondContact O-N 3.17Å; V206-V208 VanDerWaalsContact O-N 3.11Å; V208-V210 VanDerWaalsContact C-N 3.33Å; V208-V211 PolarHBondContact O-N 2.89Å; V208-A212 WeakPolarHBondContact O-CB 3.42Å; V208-A212 PolarHBondContact O-N 2.71Å |
| 209 | L | 92.3 | Very high | 92.9 | Very high | 128 Ų | 128 | 64.4 Ų | 64.4 | 67% | 0.67 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69.4 | -33.9 | 176.9 | -58.8 | 178.1 | 0 | 0 | 0 | 111.3 | V206 W207 G213 | V206-L209 WeakPolarHBondContact O-CB 3.28Å; V206-L209 PolarHBondContact O-N 3.01Å; W207-L209 PolarHBondContact O-N 3.46Å; L209-G213 WeakPolarHBondContact O-CA 3.26Å; L209-G213 PolarHBondContact O-N 3.45Å |
| 210 | V | 94.2 | Very high | 92.7 | Very high | 80 Ų | 80 | 64.3 Ų | 64.3 | 49% | 0.485 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.8 | -46.4 | 174.8 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | W207 V208 G213 A214 | W207-V210 HydrophobicContact CE3-CB 4.2Å; W207-V210 HydrophobicContact CE3-CG1 4.41Å; W207-V210 HydrophobicContact CE3-CG2 4.02Å; W207-V210 HydrophobicContact CZ3-CG2 4.46Å; W207-V210 WeakPolarHBondContact O-CB 3.01Å; W207-V210 PolarHBondContact O-N 3.46Å; W207-V210 VanDerWaalsContact O-N 3.09Å; V208-V210 VanDerWaalsContact C-N 3.33Å; V210-G213 PolarHBondContact O-N 3.38Å; V210-A214 WeakPolarHBondContact O-CB 3.13Å; V210-A214 PolarHBondContact O-N 3.47Å |
| 211 | V | 93.3 | Very high | 92.4 | Very high | 50 Ų | 50 | 71 Ų | 71 | 30% | 0.303 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.3 | -43.6 | 179.6 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | F200 W207 V208 A214 H215 L278 | F200-V211 HydrophobicContact CE1-CG2 3.85Å; F200-V211 HydrophobicContact CZ-CG2 4.11Å; W207-V211 PolarHBondContact O-N 3.19Å; W207-V211 VanDerWaalsContact O-N 3.1Å; V208-V211 PolarHBondContact O-N 2.89Å; V211-A214 PolarHBondContact O-N 3.05Å; V211-H215 WeakPolarHBondContact O-CB 3.34Å; V211-H215 PolarHBondContact O-N 3.07Å; V211-L278 HydrophobicContact CG1-CD2 4.06Å |
| 212 | A | 92.6 | Very high | 92.2 | Very high | 20 Ų | 20 | 71 Ų | 71 | 17% | 0.165 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V208 W216 I249 | V208-A212 WeakPolarHBondContact O-CB 3.42Å; V208-A212 PolarHBondContact O-N 2.71Å; A212-W216 VanDerWaalsContact O-CB 3.23Å; A212-W216 WeakPolarHBondContact O-CB 3.08Å; A212-W216 PolarHBondContact O-N 3.37Å; A212-I249 HydrophobicContact CB-CG2 4.14Å |
| 213 | G | 94.3 | Very high | 91.8 | Very high | 25 Ų | 25 | 66.6 Ų | 66.6 | 26% | 0.258 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | L209 V210 W216 L217 | L209-G213 WeakPolarHBondContact O-CA 3.26Å; L209-G213 PolarHBondContact O-N 3.45Å; V210-G213 PolarHBondContact O-N 3.38Å; G213-W216 WeakPolarHBondContact O-CB 3.44Å; G213-W216 PolarHBondContact O-N 3.09Å; G213-L217 VanDerWaalsContact O-CG 3.32Å; G213-L217 WeakPolarHBondContact O-CG 3.45Å; G213-L217 PolarHBondContact O-N 3.27Å |
| 214 | A | 94 | Very high | 91.5 | Very high | 51 Ų | 51 | 68.1 Ų | 68.1 | 42% | 0.421 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V210 V211 W216 L217 V218 | V210-A214 WeakPolarHBondContact O-CB 3.13Å; V210-A214 PolarHBondContact O-N 3.47Å; V211-A214 PolarHBondContact O-N 3.05Å; A214-W216 VanDerWaalsContact C-N 3.33Å; A214-W216 PolarHBondContact O-N 2.89Å; A214-L217 PolarHBondContact O-N 3.01Å; A214-V218 WeakPolarHBondContact O-CG2 3.45Å; A214-V218 PolarHBondContact O-N 2.91Å |
| 215 | H | 94.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 67.3 Ų | 67.3 | 1% | 0.014 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.7 | -44 | 174.1 | 177 | 94.9 | 0 | 0 | 0 | 112.1 | R193 V211 L217 V218 M219 Y248 E274 | R193-H215 PolarHBondContact NH2-CE1 2.74Å; R193-H215 VanDerWaalsContact NH2-CE1 3.3Å; R193-H215 PolarHBondContact NH2-ND1 2.86Å; V211-H215 WeakPolarHBondContact O-CB 3.34Å; V211-H215 PolarHBondContact O-N 3.07Å; H215-L217 PolarHBondContact O-N 3.45Å; H215-V218 PolarHBondContact O-N 3.15Å; H215-M219 VanDerWaalsContact CE1-CE 3.42Å; H215-M219 WeakPolarHBondContact CE1-CE 3.48Å; H215-M219 WeakPolarHBondContact NE2-CG 3.21Å; H215-M219 WeakPolarHBondContact O-CB 3.47Å; H215-M219 WeakPolarHBondContact O-CG 3.5Å; H215-M219 PolarHBondContact O-N 2.9Å; H215-Y248 PolarHBondContact NE2-O 3.4Å; H215-Y248 VanDerWaalsContact NE2-O 3.15Å; H215-E274 IonicContact CE1-OE1 3.81Å; H215-E274 IonicContact CE1-OE2 3.6Å; H215-E274 IonicContact CG-OE1 2.63Å; H215-E274 IonicContact CG-OE2 2.74Å; H215-E274 IonicContact ND1-OE1 3.48Å; H215-E274 PolarHBondContact ND1-OE1 3.42Å; H215-E274 IonicContact ND1-OE2 3.7Å; H215-E274 PolarHBondContact ND1-OE2 2.95Å |
| 216 | W | 95.4 | Very high | 90.4 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 31% | 0.307 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 177 | 171.8 | 53.6 | 0 | 0 | 0 | 112.7 | A212 G213 A214 M219 T220 L242 G245 A246 I249 | A212-W216 VanDerWaalsContact O-CB 3.23Å; A212-W216 WeakPolarHBondContact O-CB 3.08Å; A212-W216 PolarHBondContact O-N 3.37Å; G213-W216 WeakPolarHBondContact O-CB 3.44Å; G213-W216 PolarHBondContact O-N 3.09Å; A214-W216 VanDerWaalsContact C-N 3.33Å; A214-W216 PolarHBondContact O-N 2.89Å; W216-M219 PolarHBondContact O-N 3.22Å; W216-T220 VanDerWaalsContact O-CB 3.28Å; W216-T220 WeakPolarHBondContact O-CB 3.2Å; W216-T220 PolarHBondContact O-N 3.39Å; W216-T220 PolarHBondContact O-OG1 2.89Å; W216-L242 HydrophobicContact CH2-CD1 3.94Å; W216-L242 HydrophobicContact CZ2-CD1 3.3Å; W216-L242 HydrophobicContact CZ2-CD2 4.35Å; W216-L242 HydrophobicContact CZ2-CG 3.71Å; W216-L242 PolarHBondContact NE1-O 3.11Å; W216-L242 VanDerWaalsContact NE1-O 3.12Å; W216-G245 VanDerWaalsContact CD1-C 3.4Å; W216-A246 VanDerWaalsContact CD1-CA 3.49Å; W216-A246 VanDerWaalsContact CD1-N 3.33Å; W216-I249 HydrophobicContact CB-CD1 3.85Å; W216-I249 HydrophobicContact CB-CG1 3.97Å; W216-I249 HydrophobicContact CG-CD1 4.22Å |
| 217 | L | 93.9 | Very high | 89.4 | Confident | 106 Ų | 106 | 62 Ų | 62 | 56% | 0.555 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.5 | -43.3 | 177 | -69.8 | 172.1 | 0 | 0 | 0 | 111.4 | G213 A214 H215 T220 F221 | G213-L217 VanDerWaalsContact O-CG 3.32Å; G213-L217 WeakPolarHBondContact O-CG 3.45Å; G213-L217 PolarHBondContact O-N 3.27Å; A214-L217 PolarHBondContact O-N 3.01Å; H215-L217 PolarHBondContact O-N 3.45Å; L217-T220 PolarHBondContact O-N 3.31Å; L217-F221 VanDerWaalsContact O-CB 3.31Å; L217-F221 WeakPolarHBondContact O-CB 3.44Å; L217-F221 PolarHBondContact O-N 2.84Å |
| 218 | V | 93.3 | Very high | 87.5 | Confident | 86 Ų | 86 | 57.8 Ų | 57.8 | 52% | 0.521 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 175 | 169 | 0 | 0 | 0 | 0 | 111.3 | A214 H215 F221 W222 | A214-V218 WeakPolarHBondContact O-CG2 3.45Å; A214-V218 PolarHBondContact O-N 2.91Å; H215-V218 PolarHBondContact O-N 3.15Å; V218-F221 PolarHBondContact O-N 3.43Å; V218-W222 WeakPolarHBondContact O-CB 3.44Å; V218-W222 PolarHBondContact O-N 2.97Å |
| 219 | M | 91.4 | Very high | 85.6 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.025 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.5 | -36.2 | -179.9 | -70.5 | -59.7 | 172.8 | 0 | 0 | 112.7 | H215 W216 W222 L223 Y248 F267 V270 | H215-M219 VanDerWaalsContact CE1-CE 3.42Å; H215-M219 WeakPolarHBondContact CE1-CE 3.48Å; H215-M219 WeakPolarHBondContact NE2-CG 3.21Å; H215-M219 WeakPolarHBondContact O-CB 3.47Å; H215-M219 WeakPolarHBondContact O-CG 3.5Å; H215-M219 PolarHBondContact O-N 2.9Å; W216-M219 PolarHBondContact O-N 3.22Å; M219-W222 PolarHBondContact O-N 2.97Å; M219-L223 WeakPolarHBondContact O-CB 3.36Å; M219-L223 WeakPolarHBondContact O-CD1 3.27Å; M219-L223 VanDerWaalsContact O-CG 3.24Å; M219-L223 WeakPolarHBondContact O-CG 3.47Å; M219-L223 PolarHBondContact O-N 3.2Å; M219-Y248 HydrophobicContact CB-CD2 4.11Å; M219-Y248 HydrophobicContact CB-CG 4.5Å; M219-Y248 HydrophobicContact CG-CD2 4.24Å; M219-Y248 HydrophobicContact SD-CD2 4.01Å; M219-F267 HydrophobicContact CE-CD2 3.64Å; M219-F267 HydrophobicContact CE-CE2 3.71Å; M219-F267 HydrophobicContact CG-CE2 4.42Å; M219-F267 HydrophobicContact SD-CD2 3.71Å; M219-F267 HydrophobicContact SD-CE2 3.79Å; M219-V270 HydrophobicContact CE-CB 4.39Å; M219-V270 HydrophobicContact CE-CG1 3.87Å |
| 220 | T | 90.8 | Very high | 83.7 | Confident | 18 Ų | 18 | 60.7 Ų | 60.7 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 173.2 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | W216 L217 L223 V224 L242 | W216-T220 VanDerWaalsContact O-CB 3.28Å; W216-T220 WeakPolarHBondContact O-CB 3.2Å; W216-T220 PolarHBondContact O-N 3.39Å; W216-T220 PolarHBondContact O-OG1 2.89Å; L217-T220 PolarHBondContact O-N 3.31Å; T220-L223 PolarHBondContact O-N 3.48Å; T220-V224 WeakPolarHBondContact O-CG2 3.3Å; T220-V224 PolarHBondContact O-N 3.43Å; T220-L242 HydrophobicContact CG2-CD1 3.98Å |
| 221 | F | 88.9 | Confident | 81.3 | Confident | 151 Ų | 151 | 63.4 Ų | 63.4 | 66% | 0.662 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 175.2 | 180 | -98.9 | 0 | 0 | 0 | 111.7 | L217 V218 L223 V224 A225 | L217-F221 VanDerWaalsContact O-CB 3.31Å; L217-F221 WeakPolarHBondContact O-CB 3.44Å; L217-F221 PolarHBondContact O-N 2.84Å; V218-F221 PolarHBondContact O-N 3.43Å; F221-L223 VanDerWaalsContact C-N 3.32Å; F221-L223 PolarHBondContact O-N 2.99Å; F221-V224 PolarHBondContact O-N 3.23Å; F221-A225 HydrophobicContact CE1-CB 4.46Å; F221-A225 VanDerWaalsContact O-CB 3.24Å; F221-A225 WeakPolarHBondContact O-CB 3.43Å; F221-A225 PolarHBondContact O-N 3.36Å |
| 222 | W | 88.8 | Confident | 79.2 | Confident | 95 Ų | 95 | 69 Ų | 69 | 36% | 0.36 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60 | -37.4 | 175.6 | 177.4 | -110.6 | 0 | 0 | 0 | 113 | V218 M219 Q226 T266 | V218-W222 WeakPolarHBondContact O-CB 3.44Å; V218-W222 PolarHBondContact O-N 2.97Å; M219-W222 PolarHBondContact O-N 2.97Å; W222-Q226 VanDerWaalsContact O-CG 3.24Å; W222-Q226 WeakPolarHBondContact O-CG 3.47Å; W222-Q226 PolarHBondContact O-N 2.73Å; W222-T266 HydrophobicContact CH2-CG2 3.87Å; W222-T266 HydrophobicContact CZ2-CG2 3.75Å |
| 223 | L | 85.1 | Confident | 77.5 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69 | -46.9 | 173.7 | -73.8 | 161.1 | 0 | 0 | 0 | 112 | M219 T220 F221 Q226 V244 Y248 | M219-L223 WeakPolarHBondContact O-CB 3.36Å; M219-L223 WeakPolarHBondContact O-CD1 3.27Å; M219-L223 VanDerWaalsContact O-CG 3.24Å; M219-L223 WeakPolarHBondContact O-CG 3.47Å; M219-L223 PolarHBondContact O-N 3.2Å; T220-L223 PolarHBondContact O-N 3.48Å; F221-L223 VanDerWaalsContact C-N 3.32Å; F221-L223 PolarHBondContact O-N 2.99Å; L223-Q226 PolarHBondContact O-N 3.39Å; L223-V244 HydrophobicContact CD1-CB 4.11Å; L223-V244 HydrophobicContact CD1-CG1 3.67Å; L223-V244 HydrophobicContact CD2-CG1 4.19Å; L223-Y248 HydrophobicContact CD1-CD2 4.3Å; L223-Y248 HydrophobicContact CD1-CE2 4.24Å; L223-Y248 HydrophobicContact CD2-CE2 3.94Å; L223-Y248 HydrophobicContact CG-CE2 4.21Å |
| 224 | V | 83.8 | Confident | 76.3 | Confident | 75 Ų | 75 | 72.5 Ų | 72.5 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 178.3 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | T220 F221 Q226 Q227 N241 | T220-V224 WeakPolarHBondContact O-CG2 3.3Å; T220-V224 PolarHBondContact O-N 3.43Å; F221-V224 PolarHBondContact O-N 3.23Å; V224-Q226 PolarHBondContact O-N 2.86Å; V224-Q227 PolarHBondContact O-N 2.95Å; V224-N241 HydrophobicContact CG2-CB 4.15Å |
| 225 | A | 81.8 | Confident | 75.3 | Confident | 59 Ų | 59 | 74.6 Ų | 74.6 | 49% | 0.488 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.4 | -22.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F221 Q227 | F221-A225 HydrophobicContact CE1-CB 4.46Å; F221-A225 VanDerWaalsContact O-CB 3.24Å; F221-A225 WeakPolarHBondContact O-CB 3.43Å; F221-A225 PolarHBondContact O-N 3.36Å; A225-Q227 VanDerWaalsContact C-N 3.26Å; A225-Q227 PolarHBondContact O-N 3.24Å |
| 226 | Q | 75.1 | Confident | 74.5 | Confident | 55 Ų | 55 | 81.3 Ų | 81.3 | 26% | 0.257 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -2.2 | 173.6 | -77.4 | 174 | 27.3 | 0 | 0 | 114.1 | W222 L223 V224 R263 | W222-Q226 VanDerWaalsContact O-CG 3.24Å; W222-Q226 WeakPolarHBondContact O-CG 3.47Å; W222-Q226 PolarHBondContact O-N 2.73Å; L223-Q226 PolarHBondContact O-N 3.39Å; V224-Q226 PolarHBondContact O-N 2.86Å; Q226-R263 VanDerWaalsContact OE1-CD 3.3Å |
| 227 | Q | 68.6 | Low | 73.5 | Confident | 34 Ų | 34 | 79.3 Ų | 79.3 | 16% | 0.159 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 35.4 | -171.8 | -164 | 154 | 34.1 | 0 | 0 | 112.4 | V224 A225 D229 I230 N241 | V224-Q227 PolarHBondContact O-N 2.95Å; A225-Q227 VanDerWaalsContact C-N 3.26Å; A225-Q227 PolarHBondContact O-N 3.24Å; Q227-D229 PolarHBondContact O-N 2.96Å; Q227-I230 HydrophobicContact CG-CB 4.27Å; Q227-I230 HydrophobicContact CG-CD1 4.11Å; Q227-I230 HydrophobicContact CG-CG1 4.03Å; Q227-I230 PolarHBondContact O-N 2.83Å; Q227-N241 PolarHBondContact OE1-ND2 2.79Å |
| 228 | S | 54.7 | Low | 72.9 | Confident | 73 Ų | 73 | 82.1 Ų | 82.1 | 51% | 0.51 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -18.9 | -177.8 | 55 | 0 | 0 | 0 | 0 | 115.7 | I231 | S228-I231 WeakPolarHBondContact O-CD1 3.33Å; S228-I231 VanDerWaalsContact O-CG1 3.28Å; S228-I231 WeakPolarHBondContact O-CG1 3.46Å |
| 229 | D | 50.9 | Low | 72.4 | Confident | 152 Ų | 152 | 83.3 Ų | 83.3 | 81% | 0.813 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 0.9 | -174.2 | -57.8 | -6.3 | 0 | 0 | 0 | 112.9 | Q227 | Q227-D229 PolarHBondContact O-N 2.96Š|
| 230 | I | 51.8 | Low | 72 | Confident | 53 Ų | 53 | 84.7 Ų | 84.7 | 27% | 0.272 | 44% | 0.441 | S | S | . | . | trans | -121 | 50.4 | 177.2 | -37.3 | -171.9 | 0 | 0 | 0 | 110.9 | Q227 D232 S233 | Q227-I230 HydrophobicContact CG-CB 4.27Å; Q227-I230 HydrophobicContact CG-CD1 4.11Å; Q227-I230 HydrophobicContact CG-CG1 4.03Å; Q227-I230 PolarHBondContact O-N 2.83Å; I230-D232 VanDerWaalsContact C-N 3.34Å; I230-D232 PolarHBondContact O-N 3.37Å; I230-S233 WeakPolarHBondContact O-CB 3.2Å; I230-S233 PolarHBondContact O-N 2.81Å; I230-S233 PolarHBondContact O-OG 3.22Å | ||
| 231 | I | 45 | Very low | 71.7 | Confident | 138 Ų | 138 | 84.2 Ų | 84.2 | 71% | 0.708 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -29.2 | -176.3 | -77.6 | 168.2 | 0 | 0 | 0 | 113.1 | S228 S233 | S228-I231 WeakPolarHBondContact O-CD1 3.33Å; S228-I231 VanDerWaalsContact O-CG1 3.28Å; S228-I231 WeakPolarHBondContact O-CG1 3.46Å; I231-S233 PolarHBondContact O-N 2.8Å |
| 232 | D | 49.6 | Very low | 71.7 | Confident | 166 Ų | 166 | 80.1 Ų | 80.1 | 89% | 0.888 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 19.4 | 171.9 | -82.2 | -27.9 | 0 | 0 | 0 | 114.2 | I230 T234 | I230-D232 VanDerWaalsContact C-N 3.34Å; I230-D232 PolarHBondContact O-N 3.37Å; D232-T234 PolarHBondContact O-N 2.85Å |
| 233 | S | 57 | Low | 71.6 | Confident | 31 Ų | 31 | 80.1 Ų | 80.1 | 22% | 0.217 | 43% | 0.429 | C | S | . | . | trans | -70.6 | 118.6 | -170.5 | 47.8 | 0 | 0 | 0 | 0 | 114.2 | I230 I231 | I230-S233 WeakPolarHBondContact O-CB 3.2Å; I230-S233 PolarHBondContact O-N 2.81Å; I230-S233 PolarHBondContact O-OG 3.22Å; I231-S233 PolarHBondContact O-N 2.8Å | ||
| 234 | T | 68.6 | Low | 71.7 | Confident | 89 Ų | 89 | 80.2 Ų | 80.2 | 55% | 0.546 | 43% | 0.43 | S | S | . | . | trans | -52.9 | 152.4 | 171.5 | -35.9 | 0 | 0 | 0 | 0 | 112.2 | D232 H236 W237 | D232-T234 PolarHBondContact O-N 2.85Å; T234-H236 PolarHBondContact O-N 3.38Å; T234-W237 PolarHBondContact O-N 3Å | ||
| 235 | C | 73.1 | Confident | 72 | Confident | 95 Ų | 95 | 76.7 Ų | 76.7 | 64% | 0.642 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -41.1 | -42.3 | -179.6 | -171.1 | 0 | 0 | 0 | 0 | 114.6 | W237 R238 L239 | C235-W237 VanDerWaalsContact C-N 3.29Å; C235-W237 PolarHBondContact O-N 3.07Å; C235-R238 WeakPolarHBondContact O-CB 3.5Å; C235-R238 PolarHBondContact O-N 2.91Å; C235-L239 PolarHBondContact O-N 3.4Å |
| 236 | H | 76 | Confident | 72.4 | Confident | 144 Ų | 144 | 75.7 Ų | 75.7 | 67% | 0.667 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -52.2 | -38.3 | 177.7 | -55.9 | 117.3 | 0 | 0 | 0 | 114.6 | T234 L239 F240 | T234-H236 PolarHBondContact O-N 3.38Å; H236-L239 PolarHBondContact O-N 3.34Å; H236-F240 PolarHBondContact O-N 2.82Å |
| 237 | W | 76.1 | Confident | 73.1 | Confident | 38 Ų | 38 | 74 Ų | 74 | 14% | 0.144 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -72.5 | -34.2 | 178.1 | -79 | 119.5 | 0 | 0 | 0 | 112.8 | T234 C235 F240 N241 W256 L410 | T234-W237 PolarHBondContact O-N 3Å; C235-W237 VanDerWaalsContact C-N 3.29Å; C235-W237 PolarHBondContact O-N 3.07Å; W237-F240 HydrophobicContact CE3-CB 4.47Å; W237-F240 HydrophobicContact CE3-CD1 4.11Å; W237-F240 HydrophobicContact CZ3-CD1 4.11Å; W237-F240 HydrophobicContact CZ3-CE1 4.49Å; W237-F240 PolarHBondContact O-N 3.22Å; W237-N241 PolarHBondContact O-N 3.44Å; W237-W256 HydrophobicContact CE3-CH2 4.32Å; W237-W256 HydrophobicContact CH2-CH2 4.29Å; W237-W256 AromaticContact CZ3-CH2 3.68Å; W237-W256 HydrophobicContact CZ3-CH2 3.68Å; W237-L410 HydrophobicContact CH2-CD1 4.19Å; W237-L410 HydrophobicContact CZ3-CD1 4.31Å |
| 238 | R | 80.5 | Confident | 74.2 | Confident | 166 Ų | 166 | 72.8 Ų | 72.8 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -66.1 | -42.9 | 174.7 | -56.9 | -176.4 | -173.2 | -171.3 | -0.8 | 110 | C235 N241 L242 | C235-R238 WeakPolarHBondContact O-CB 3.5Å; C235-R238 PolarHBondContact O-N 2.91Å; R238-N241 PolarHBondContact O-N 2.88Å; R238-L242 VanDerWaalsContact O-CB 3.29Å; R238-L242 WeakPolarHBondContact O-CB 3.17Å; R238-L242 PolarHBondContact O-N 3.3Å |
| 239 | L | 82.8 | Confident | 76 | Confident | 111 Ų | 111 | 70.9 Ų | 70.9 | 58% | 0.581 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.5 | -39.8 | 173.5 | -177 | 61.5 | 0 | 0 | 0 | 112.3 | C235 H236 L242 L243 | C235-L239 PolarHBondContact O-N 3.4Å; H236-L239 PolarHBondContact O-N 3.34Å; L239-L242 PolarHBondContact O-N 3.25Å; L239-L243 WeakPolarHBondContact O-CB 3.3Å; L239-L243 PolarHBondContact O-N 3.35Å |
| 240 | F | 82.1 | Confident | 77.9 | Confident | 33 Ų | 33 | 64.8 Ų | 64.8 | 15% | 0.145 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62 | -51.2 | 174.8 | 179.4 | -103.9 | 0 | 0 | 0 | 112.2 | H236 W237 L242 L243 V244 F255 W256 L410 | H236-F240 PolarHBondContact O-N 2.82Å; W237-F240 HydrophobicContact CE3-CB 4.47Å; W237-F240 HydrophobicContact CE3-CD1 4.11Å; W237-F240 HydrophobicContact CZ3-CD1 4.11Å; W237-F240 HydrophobicContact CZ3-CE1 4.49Å; W237-F240 PolarHBondContact O-N 3.22Å; F240-L242 VanDerWaalsContact C-N 3.28Å; F240-L242 PolarHBondContact O-N 3.15Å; F240-L243 PolarHBondContact O-N 2.78Å; F240-L243 VanDerWaalsContact O-N 3.15Å; F240-V244 HydrophobicContact CD1-CG2 4.18Å; F240-V244 HydrophobicContact CD2-CG2 4.31Å; F240-V244 HydrophobicContact CE1-CG2 3.75Å; F240-V244 HydrophobicContact CE2-CG2 3.87Å; F240-V244 HydrophobicContact CG-CG2 4.45Å; F240-V244 HydrophobicContact CZ-CG2 3.58Å; F240-V244 WeakPolarHBondContact O-CG2 3.46Å; F240-V244 PolarHBondContact O-N 3.3Å; F240-F255 HydrophobicContact CZ-CB 4.45Å; F240-F255 HydrophobicContact CZ-CD1 4.21Å; F240-F255 HydrophobicContact CZ-CG 4.28Å; F240-W256 HydrophobicContact CD1-CZ2 4.21Å; F240-W256 HydrophobicContact CE1-CH2 4.27Å; F240-W256 AromaticContact CE1-CZ2 3.74Å; F240-W256 HydrophobicContact CE1-CZ2 3.74Å; F240-L410 HydrophobicContact CD2-CD2 4.35Å; F240-L410 HydrophobicContact CE2-CD2 3.7Å; F240-L410 HydrophobicContact CZ-CD2 4Å |
| 241 | N | 85.2 | Confident | 79.7 | Confident | 8 Ų | 8 | 62.6 Ų | 62.6 | 4% | 0.043 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.3 | -31.7 | 179.7 | -77.7 | -18.2 | 0 | 0 | 0 | 112.6 | V224 Q227 W237 R238 G245 | V224-N241 HydrophobicContact CG2-CB 4.15Å; Q227-N241 PolarHBondContact OE1-ND2 2.79Å; W237-N241 PolarHBondContact O-N 3.44Å; R238-N241 PolarHBondContact O-N 2.88Å; N241-G245 PolarHBondContact O-N 3.22Å |
| 242 | L | 88.8 | Confident | 81.7 | Confident | 66 Ų | 66 | 57 Ų | 57 | 35% | 0.346 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 172.1 | -170 | 70.5 | 0 | 0 | 0 | 112.4 | W216 T220 R238 L239 F240 A246 | W216-L242 HydrophobicContact CH2-CD1 3.94Å; W216-L242 HydrophobicContact CZ2-CD1 3.3Å; W216-L242 HydrophobicContact CZ2-CD2 4.35Å; W216-L242 HydrophobicContact CZ2-CG 3.71Å; W216-L242 PolarHBondContact NE1-O 3.11Å; W216-L242 VanDerWaalsContact NE1-O 3.12Å; T220-L242 HydrophobicContact CG2-CD1 3.98Å; R238-L242 VanDerWaalsContact O-CB 3.29Å; R238-L242 WeakPolarHBondContact O-CB 3.17Å; R238-L242 PolarHBondContact O-N 3.3Å; L239-L242 PolarHBondContact O-N 3.25Å; F240-L242 VanDerWaalsContact C-N 3.28Å; F240-L242 PolarHBondContact O-N 3.15Å; L242-A246 PolarHBondContact O-N 3.49Å; L242-A246 VanDerWaalsContact O-N 3.16Å |
| 243 | L | 87.4 | Confident | 83.3 | Confident | 95 Ų | 95 | 49 Ų | 49 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.9 | -43.7 | 176.6 | -178.2 | 65.7 | 0 | 0 | 0 | 111.9 | L239 F240 G245 A246 V247 | L239-L243 WeakPolarHBondContact O-CB 3.3Å; L239-L243 PolarHBondContact O-N 3.35Å; F240-L243 PolarHBondContact O-N 2.78Å; F240-L243 VanDerWaalsContact O-N 3.15Å; L243-G245 VanDerWaalsContact C-N 3.31Å; L243-G245 PolarHBondContact O-N 3.13Å; L243-A246 WeakPolarHBondContact O-CB 3.35Å; L243-A246 PolarHBondContact O-N 2.92Å; L243-A246 VanDerWaalsContact O-N 3.08Å; L243-V247 PolarHBondContact O-N 3.09Å |
| 244 | V | 86.2 | Confident | 84.2 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 175 | 174 | 0 | 0 | 0 | 0 | 110.8 | L223 F240 A246 V247 Y248 F255 | L223-V244 HydrophobicContact CD1-CB 4.11Å; L223-V244 HydrophobicContact CD1-CG1 3.67Å; L223-V244 HydrophobicContact CD2-CG1 4.19Å; F240-V244 HydrophobicContact CD1-CG2 4.18Å; F240-V244 HydrophobicContact CD2-CG2 4.31Å; F240-V244 HydrophobicContact CE1-CG2 3.75Å; F240-V244 HydrophobicContact CE2-CG2 3.87Å; F240-V244 HydrophobicContact CG-CG2 4.45Å; F240-V244 HydrophobicContact CZ-CG2 3.58Å; F240-V244 WeakPolarHBondContact O-CG2 3.46Å; F240-V244 PolarHBondContact O-N 3.3Å; V244-A246 VanDerWaalsContact C-N 3.27Å; V244-A246 PolarHBondContact O-N 3.45Å; V244-V247 WeakPolarHBondContact O-CB 3.27Å; V244-V247 PolarHBondContact O-N 2.91Å; V244-Y248 HydrophobicContact CG1-CD1 4.16Å; V244-Y248 HydrophobicContact CG1-CE1 3.78Å; V244-Y248 WeakPolarHBondContact O-CD1 2.99Å; V244-Y248 PolarHBondContact O-N 3.13Å; V244-Y248 VanDerWaalsContact O-N 3.1Å; V244-F255 HydrophobicContact CB-CD2 4.31Å; V244-F255 HydrophobicContact CB-CE2 4.26Å; V244-F255 HydrophobicContact CG1-CD2 3.51Å; V244-F255 HydrophobicContact CG1-CE2 3.69Å; V244-F255 HydrophobicContact CG2-CD2 3.76Å; V244-F255 HydrophobicContact CG2-CE2 3.73Å; V244-F255 HydrophobicContact CG2-CG 4.34Å; V244-F255 HydrophobicContact CG2-CZ 4.28Å |
| 245 | G | 90.2 | Very high | 84 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.4 | -36.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | W216 N241 L243 Y248 | W216-G245 VanDerWaalsContact CD1-C 3.4Å; N241-G245 PolarHBondContact O-N 3.22Å; L243-G245 VanDerWaalsContact C-N 3.31Å; L243-G245 PolarHBondContact O-N 3.13Å; G245-Y248 WeakPolarHBondContact O-CB 3.09Å; G245-Y248 PolarHBondContact O-N 3.38Å |
| 246 | A | 90.4 | Very high | 83.1 | Confident | 39 Ų | 39 | 44.6 Ų | 44.6 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.5 | -34.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | W216 L242 L243 V244 Y248 I249 | W216-A246 VanDerWaalsContact CD1-CA 3.49Å; W216-A246 VanDerWaalsContact CD1-N 3.33Å; L242-A246 PolarHBondContact O-N 3.49Å; L242-A246 VanDerWaalsContact O-N 3.16Å; L243-A246 WeakPolarHBondContact O-CB 3.35Å; L243-A246 PolarHBondContact O-N 2.92Å; L243-A246 VanDerWaalsContact O-N 3.08Å; V244-A246 VanDerWaalsContact C-N 3.27Å; V244-A246 PolarHBondContact O-N 3.45Å; A246-Y248 VanDerWaalsContact C-N 3.32Å; A246-I249 WeakPolarHBondContact O-CB 3.39Å; A246-I249 WeakPolarHBondContact O-CD1 3.46Å; A246-I249 VanDerWaalsContact O-CG1 3.25Å; A246-I249 WeakPolarHBondContact O-CG1 3.37Å; A246-I249 PolarHBondContact O-N 3.01Å |
| 247 | V | 90.5 | Very high | 81.9 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 12% | 0.115 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -36.4 | 172.7 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | L118 L243 V244 I249 L250 C251 L253 | L118-V247 HydrophobicContact CD1-CB 4.45Å; L118-V247 HydrophobicContact CD1-CG1 3.71Å; L118-V247 HydrophobicContact CD1-CG2 3.84Å; L118-V247 HydrophobicContact CD2-CG1 3.74Å; L118-V247 HydrophobicContact CG-CG1 4.37Å; L243-V247 PolarHBondContact O-N 3.09Å; V244-V247 WeakPolarHBondContact O-CB 3.27Å; V244-V247 PolarHBondContact O-N 2.91Å; V247-I249 PolarHBondContact O-N 3.3Å; V247-I249 VanDerWaalsContact O-N 3.17Å; V247-L250 PolarHBondContact O-N 3.45Å; V247-C251 PolarHBondContact O-N 2.86Å; V247-L253 HydrophobicContact CG1-CD1 3.74Å; V247-L253 HydrophobicContact CG1-CG 4.32Å |
| 248 | Y | 92.1 | Very high | 80.5 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -22.8 | -179.7 | -86.4 | 33 | 0 | 0 | 0 | 113.3 | H215 M219 L223 V244 G245 A246 L250 Y252 L253 F267 | H215-Y248 PolarHBondContact NE2-O 3.4Å; H215-Y248 VanDerWaalsContact NE2-O 3.15Å; M219-Y248 HydrophobicContact CB-CD2 4.11Å; M219-Y248 HydrophobicContact CB-CG 4.5Å; M219-Y248 HydrophobicContact CG-CD2 4.24Å; M219-Y248 HydrophobicContact SD-CD2 4.01Å; L223-Y248 HydrophobicContact CD1-CD2 4.3Å; L223-Y248 HydrophobicContact CD1-CE2 4.24Å; L223-Y248 HydrophobicContact CD2-CE2 3.94Å; L223-Y248 HydrophobicContact CG-CE2 4.21Å; V244-Y248 HydrophobicContact CG1-CD1 4.16Å; V244-Y248 HydrophobicContact CG1-CE1 3.78Å; V244-Y248 WeakPolarHBondContact O-CD1 2.99Å; V244-Y248 PolarHBondContact O-N 3.13Å; V244-Y248 VanDerWaalsContact O-N 3.1Å; G245-Y248 WeakPolarHBondContact O-CB 3.09Å; G245-Y248 PolarHBondContact O-N 3.38Å; A246-Y248 VanDerWaalsContact C-N 3.32Å; Y248-L250 PolarHBondContact O-N 3.06Å; Y248-Y252 HydrophobicContact CE2-CD2 4.25Å; Y248-Y252 HydrophobicContact CE2-CE2 4.32Å; Y248-L253 HydrophobicContact CE1-CB 4.3Å; Y248-L253 WeakPolarHBondContact CE1-O 3.39Å; Y248-L253 PolarHBondContact OH-O 2.96Å; Y248-F267 AromaticContact CD2-CD2 3.81Å; Y248-F267 HydrophobicContact CD2-CD2 3.81Å; Y248-F267 AromaticContact CD2-CE2 3.49Å; Y248-F267 HydrophobicContact CD2-CE2 3.49Å; Y248-F267 VanDerWaalsContact CD2-CE2 3.49Å; Y248-F267 HydrophobicContact CE2-CD2 4.13Å; Y248-F267 HydrophobicContact CE2-CE2 4.19Å; Y248-F267 AromaticContact CG-CE2 3.79Å; Y248-F267 HydrophobicContact CG-CE2 3.79Å; Y248-F267 HydrophobicContact CG-CZ 4.48Å; Y248-F267 WeakPolarHBondContact O-CZ 3.35Å |
| 249 | I | 91.8 | Very high | 79.1 | Confident | 33 Ų | 33 | 41.8 Ų | 41.8 | 17% | 0.169 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -38.1 | 170.9 | -54.4 | 170.5 | 0 | 0 | 0 | 111.8 | R193 A212 W216 A246 V247 | R193-I249 PolarHBondContact NE-O 3.32Å; R193-I249 PolarHBondContact NH2-O 3.36Å; A212-I249 HydrophobicContact CB-CG2 4.14Å; W216-I249 HydrophobicContact CB-CD1 3.85Å; W216-I249 HydrophobicContact CB-CG1 3.97Å; W216-I249 HydrophobicContact CG-CD1 4.22Å; A246-I249 WeakPolarHBondContact O-CB 3.39Å; A246-I249 WeakPolarHBondContact O-CD1 3.46Å; A246-I249 VanDerWaalsContact O-CG1 3.25Å; A246-I249 WeakPolarHBondContact O-CG1 3.37Å; A246-I249 PolarHBondContact O-N 3.01Å; V247-I249 PolarHBondContact O-N 3.3Å; V247-I249 VanDerWaalsContact O-N 3.17Å |
| 250 | L | 90.6 | Very high | 78 | Confident | 24 Ų | 24 | 38 Ų | 38 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -41.8 | -177.1 | -60.4 | -179.7 | 0 | 0 | 0 | 112.9 | L126 L190 L197 V247 Y248 | L126-L250 HydrophobicContact CD1-CD2 4.27Å; L190-L250 HydrophobicContact CD1-CB 4.36Å; L197-L250 HydrophobicContact CD1-CD2 4.15Å; V247-L250 PolarHBondContact O-N 3.45Å; Y248-L250 PolarHBondContact O-N 3.06Å |
| 251 | C | 90.3 | Very high | 77.6 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | trans | -157.2 | 147.6 | -172.5 | 62.8 | 0 | 0 | 0 | 0 | 115.1 | L157 V247 | L157-C251 HydrophobicContact CD1-CB 3.98Å; V247-C251 PolarHBondContact O-N 2.86Å | ||
| 252 | Y | 87.5 | Confident | 77.3 | Confident | 20 Ų | 20 | 51 Ų | 51 | 8% | 0.078 | 27% | 0.274 | C | S | . | . | trans | -71.9 | 127.4 | 174.4 | -175.6 | -110 | 0 | 0 | 0 | 113.2 | R186 Y248 S254 M264 F267 Y268 | R186-Y252 PolarHBondContact NH1-O 3.34Å; Y248-Y252 HydrophobicContact CE2-CD2 4.25Å; Y248-Y252 HydrophobicContact CE2-CE2 4.32Å; Y252-S254 WeakPolarHBondContact CE1-OG 3.25Å; Y252-S254 PolarHBondContact OH-OG 2.88Å; Y252-M264 HydrophobicContact CD1-CG 4.21Å; Y252-M264 HydrophobicContact CE1-CB 4.09Å; Y252-M264 HydrophobicContact CE1-CG 3.93Å; Y252-F267 HydrophobicContact CD2-CB 3.93Å; Y252-F267 AromaticContact CD2-CD1 3.81Å; Y252-F267 HydrophobicContact CD2-CD1 3.81Å; Y252-F267 AromaticContact CD2-CD2 3.91Å; Y252-F267 HydrophobicContact CD2-CD2 3.91Å; Y252-F267 HydrophobicContact CD2-CE1 4.34Å; Y252-F267 HydrophobicContact CD2-CE2 4.4Å; Y252-F267 AromaticContact CD2-CG 3.57Å; Y252-F267 HydrophobicContact CD2-CG 3.57Å; Y252-F267 HydrophobicContact CE2-CB 4.3Å; Y252-F267 HydrophobicContact CE2-CG 4.37Å; Y252-F267 HydrophobicContact CG-CD1 4.01Å; Y252-F267 HydrophobicContact CG-CE1 4.38Å; Y252-F267 HydrophobicContact CG-CG 4.25Å; Y252-Y268 HydrophobicContact CD1-CE2 4.42Å | ||
| 253 | L | 82.9 | Confident | 77.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -130 | 112.9 | 171.5 | -79.1 | -177.8 | 0 | 0 | 0 | 112 | L114 L118 L157 Y160 V247 Y248 F255 | L114-L253 HydrophobicContact CD1-CD1 4.44Å; L114-L253 HydrophobicContact CD2-CD1 3.84Å; L114-L253 HydrophobicContact CD2-CD2 4.31Å; L118-L253 HydrophobicContact CD1-CD1 4.17Å; L157-L253 HydrophobicContact CD2-CD1 4.44Å; L157-L253 HydrophobicContact CD2-CD2 3.62Å; L157-L253 HydrophobicContact CD2-CG 4.12Å; Y160-L253 HydrophobicContact CD1-CD2 4.05Å; Y160-L253 HydrophobicContact CE1-CD2 4.3Å; V247-L253 HydrophobicContact CG1-CD1 3.74Å; V247-L253 HydrophobicContact CG1-CG 4.32Å; Y248-L253 HydrophobicContact CE1-CB 4.3Å; Y248-L253 WeakPolarHBondContact CE1-O 3.39Å; Y248-L253 PolarHBondContact OH-O 2.96Å; L253-F255 VanDerWaalsContact C-N 3.32Å; L253-F255 HydrophobicContact CB-CD2 3.85Å; L253-F255 HydrophobicContact CB-CE2 3.47Å; L253-F255 VanDerWaalsContact CB-CE2 3.47Å; L253-F255 HydrophobicContact CB-CZ 4.13Å; L253-F255 HydrophobicContact CD1-CE1 4.5Å; L253-F255 HydrophobicContact CD1-CE2 3.63Å; L253-F255 HydrophobicContact CD1-CZ 3.51Å; L253-F255 HydrophobicContact CG-CE2 4.23Å; L253-F255 HydrophobicContact CG-CZ 4.48Å; L253-F255 WeakPolarHBondContact O-CD2 3.49Å; L253-F255 PolarHBondContact O-N 3.35Å | ||
| 254 | S | 74.8 | Confident | 77.1 | Confident | 48 Ų | 48 | 47.5 Ų | 47.5 | 34% | 0.336 | 25% | 0.25 | S | S | . | . | trans | -71.4 | 82.7 | 169.5 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | M164 Y252 | M164-S254 WeakPolarHBondContact CE-O 3.45Å; M164-S254 VanDerWaalsContact SD-O 3.39Å; Y252-S254 WeakPolarHBondContact CE1-OG 3.25Å; Y252-S254 PolarHBondContact OH-OG 2.88Å | ||
| 255 | F | 64.1 | Low | 77.2 | Confident | 32 Ų | 32 | 51 Ų | 51 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | trans | -70.2 | -21.8 | 168 | -70.6 | -80.2 | 0 | 0 | 0 | 112.9 | Y160 F240 V244 L253 | Y160-F255 HydrophobicContact CE1-CE1 4.39Å; Y160-F255 WeakPolarHBondContact OH-CD1 3.43Å; Y160-F255 WeakPolarHBondContact OH-CE1 3.37Å; F240-F255 HydrophobicContact CZ-CB 4.45Å; F240-F255 HydrophobicContact CZ-CD1 4.21Å; F240-F255 HydrophobicContact CZ-CG 4.28Å; V244-F255 HydrophobicContact CB-CD2 4.31Å; V244-F255 HydrophobicContact CB-CE2 4.26Å; V244-F255 HydrophobicContact CG1-CD2 3.51Å; V244-F255 HydrophobicContact CG1-CE2 3.69Å; V244-F255 HydrophobicContact CG2-CD2 3.76Å; V244-F255 HydrophobicContact CG2-CE2 3.73Å; V244-F255 HydrophobicContact CG2-CG 4.34Å; V244-F255 HydrophobicContact CG2-CZ 4.28Å; L253-F255 VanDerWaalsContact C-N 3.32Å; L253-F255 HydrophobicContact CB-CD2 3.85Å; L253-F255 HydrophobicContact CB-CE2 3.47Å; L253-F255 VanDerWaalsContact CB-CE2 3.47Å; L253-F255 HydrophobicContact CB-CZ 4.13Å; L253-F255 HydrophobicContact CD1-CE1 4.5Å; L253-F255 HydrophobicContact CD1-CE2 3.63Å; L253-F255 HydrophobicContact CD1-CZ 3.51Å; L253-F255 HydrophobicContact CG-CE2 4.23Å; L253-F255 HydrophobicContact CG-CZ 4.48Å; L253-F255 WeakPolarHBondContact O-CD2 3.49Å; L253-F255 PolarHBondContact O-N 3.35Å | ||
| 256 | W | 55.6 | Low | 77.2 | Confident | 42 Ų | 42 | 53.8 Ų | 53.8 | 16% | 0.159 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -107.7 | 134 | -174.9 | -53 | 101.4 | 0 | 0 | 0 | 111.5 | W237 F240 S258 T414 | W237-W256 HydrophobicContact CE3-CH2 4.32Å; W237-W256 HydrophobicContact CH2-CH2 4.29Å; W237-W256 AromaticContact CZ3-CH2 3.68Å; W237-W256 HydrophobicContact CZ3-CH2 3.68Å; F240-W256 HydrophobicContact CD1-CZ2 4.21Å; F240-W256 HydrophobicContact CE1-CH2 4.27Å; F240-W256 AromaticContact CE1-CZ2 3.74Å; F240-W256 HydrophobicContact CE1-CZ2 3.74Å; W256-S258 PolarHBondContact O-N 2.87Å; W256-T414 HydrophobicContact CE3-CG2 3.75Å; W256-T414 HydrophobicContact CZ3-CG2 3.73Å |
| 257 | D | 50.5 | Low | 77.3 | Confident | 106 Ų | 106 | 52 Ų | 52 | 57% | 0.567 | 27% | 0.274 | S | S | * | . | trans | -83.1 | 33.7 | -176.3 | -140.1 | 32.3 | 0 | 0 | 0 | 114 | K168 | K168-D257 VanDerWaalsContact CE-CG 3.44Å; K168-D257 WeakPolarHBondContact CE-OD1 3.45Å; K168-D257 WeakPolarHBondContact CE-OD2 3.42Å; K168-D257 IonicContact NZ-OD1 2.84Å; K168-D257 PolarHBondContact NZ-OD1 3.03Å; K168-D257 IonicContact NZ-OD2 3.11Å; K168-D257 PolarHBondContact NZ-OD2 3.44Å | ||
| 258 | S | 45.7 | Very low | 77.4 | Confident | 53 Ų | 53 | 51.7 Ų | 51.7 | 37% | 0.371 | 27% | 0.27 | S | S | . | . | trans | -87.6 | 132.8 | -169.8 | -161.3 | 0 | 0 | 0 | 0 | 112.1 | W256 S260 R263 | W256-S258 PolarHBondContact O-N 2.87Å; S258-S260 PolarHBondContact O-N 3.4Å; S258-S260 PolarHBondContact O-OG 2.77Å; S258-R263 PolarHBondContact OG-NH2 3.37Å | ||
| 259 | P | 51.2 | Low | 77.5 | Confident | 130 Ų | 130 | 57.1 Ų | 57.1 | 84% | 0.844 | 30% | 0.298 | S | S | * | . | trans | -76.2 | 89.6 | -165.3 | 30.7 | -36.8 | 0 | 0 | 0 | 112.7 | ||||
| 260 | S | 60.3 | Low | 77.6 | Confident | 31 Ų | 31 | 58 Ų | 58 | 22% | 0.217 | 30% | 0.304 | C | S | . | . | trans | -157.8 | 87.5 | -180 | 52.4 | 0 | 0 | 0 | 0 | 115.5 | S258 N262 R263 | S258-S260 PolarHBondContact O-N 3.4Å; S258-S260 PolarHBondContact O-OG 2.77Å; S260-N262 PolarHBondContact O-N 2.94Å; S260-N262 VanDerWaalsContact O-N 3.09Å; S260-R263 PolarHBondContact O-N 2.94Å; S260-R263 VanDerWaalsContact O-N 3.14Å; S260-R263 WeakPolarHBondContact OG-CB 3.3Å; S260-R263 WeakPolarHBondContact OG-CD 3.28Å; S260-R263 WeakPolarHBondContact OG-CG 3.43Å; S260-R263 PolarHBondContact OG-NE 2.85Å | ||
| 261 | R | 74.1 | Confident | 77.7 | Confident | 203 Ų | 203 | 56.9 Ų | 56.9 | 77% | 0.766 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -45.2 | -35.7 | 155.7 | -178.5 | 178.2 | 67.5 | -173.6 | 1.7 | 111.2 | V265 | R261-V265 WeakPolarHBondContact O-CG2 3.32Å; R261-V265 PolarHBondContact O-N 3.29Å |
| 262 | N | 78.8 | Confident | 78 | Confident | 110 Ų | 110 | 58.5 Ų | 58.5 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.4 | -44.7 | -179.1 | -58.1 | 12.1 | 0 | 0 | 0 | 112.8 | S260 M264 V265 T266 | S260-N262 PolarHBondContact O-N 2.94Å; S260-N262 VanDerWaalsContact O-N 3.09Å; N262-M264 VanDerWaalsContact C-N 3.32Å; N262-M264 PolarHBondContact O-N 3.05Å; N262-V265 PolarHBondContact O-N 2.86Å; N262-T266 PolarHBondContact O-N 3.37Å; N262-T266 PolarHBondContact O-OG1 2.93Å |
| 263 | R | 84.9 | Confident | 78.4 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 26% | 0.264 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 179.8 | -70.8 | -177.8 | -161.8 | -173.7 | 9.9 | 111.6 | Q226 S258 S260 T266 F267 | Q226-R263 VanDerWaalsContact OE1-CD 3.3Å; S258-R263 PolarHBondContact OG-NH2 3.37Å; S260-R263 PolarHBondContact O-N 2.94Å; S260-R263 VanDerWaalsContact O-N 3.14Å; S260-R263 WeakPolarHBondContact OG-CB 3.3Å; S260-R263 WeakPolarHBondContact OG-CD 3.28Å; S260-R263 WeakPolarHBondContact OG-CG 3.43Å; S260-R263 PolarHBondContact OG-NE 2.85Å; R263-T266 PolarHBondContact O-N 3.49Å; R263-F267 PolarHBondContact O-N 3.31Å |
| 264 | M | 86.6 | Confident | 79 | Confident | 18 Ų | 18 | 64.4 Ų | 64.4 | 9% | 0.089 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 175.1 | 179.8 | -173.7 | -173 | 0 | 0 | 111.9 | W185 Y252 N262 Y268 L311 Y315 | W185-M264 HydrophobicContact CH2-CE 3.34Å; W185-M264 HydrophobicContact CZ2-CE 3.18Å; W185-M264 HydrophobicContact CZ3-CE 4.36Å; Y252-M264 HydrophobicContact CD1-CG 4.21Å; Y252-M264 HydrophobicContact CE1-CB 4.09Å; Y252-M264 HydrophobicContact CE1-CG 3.93Å; N262-M264 VanDerWaalsContact C-N 3.32Å; N262-M264 PolarHBondContact O-N 3.05Å; M264-Y268 HydrophobicContact CE-CE2 3.92Å; M264-Y268 HydrophobicContact CG-CD2 4.07Å; M264-Y268 HydrophobicContact CG-CE2 3.95Å; M264-Y268 WeakPolarHBondContact O-CD2 3.47Å; M264-Y268 PolarHBondContact O-N 2.95Å; M264-Y268 VanDerWaalsContact O-N 3.13Å; M264-L311 HydrophobicContact CE-CD1 3.47Å; M264-L311 VanDerWaalsContact CE-CD1 3.47Å; M264-L311 HydrophobicContact CE-CD2 4.48Å; M264-Y315 HydrophobicContact CE-CE2 3.94Å; M264-Y315 HydrophobicContact SD-CE2 4.31Å |
| 265 | V | 88.9 | Confident | 80 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 47% | 0.473 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 173.8 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | R261 N262 F267 Y268 M269 | R261-V265 WeakPolarHBondContact O-CG2 3.32Å; R261-V265 PolarHBondContact O-N 3.29Å; N262-V265 PolarHBondContact O-N 2.86Å; V265-F267 VanDerWaalsContact C-N 3.33Å; V265-F267 PolarHBondContact O-N 3.17Å; V265-Y268 PolarHBondContact O-N 3.18Å; V265-Y268 VanDerWaalsContact O-N 3.16Å; V265-M269 HydrophobicContact CG1-CG 4.01Å; V265-M269 VanDerWaalsContact O-CG 3.25Å; V265-M269 WeakPolarHBondContact O-CG 3.28Å; V265-M269 PolarHBondContact O-N 3.46Å |
| 266 | T | 90.2 | Very high | 81.5 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 36% | 0.362 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55.6 | -46.6 | 177.1 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | W222 N262 R263 Y268 M269 V270 | W222-T266 HydrophobicContact CH2-CG2 3.87Å; W222-T266 HydrophobicContact CZ2-CG2 3.75Å; N262-T266 PolarHBondContact O-N 3.37Å; N262-T266 PolarHBondContact O-OG1 2.93Å; R263-T266 PolarHBondContact O-N 3.49Å; T266-Y268 PolarHBondContact O-N 3.48Å; T266-M269 PolarHBondContact O-N 3.01Å; T266-V270 WeakPolarHBondContact O-CG2 3.43Å; T266-V270 PolarHBondContact O-N 2.92Å |
| 267 | F | 91.2 | Very high | 83.3 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.2 | -49.5 | 176 | 178.5 | -84 | 0 | 0 | 0 | 111.9 | M219 Y248 Y252 R263 V265 M269 V270 M271 | M219-F267 HydrophobicContact CE-CD2 3.64Å; M219-F267 HydrophobicContact CE-CE2 3.71Å; M219-F267 HydrophobicContact CG-CE2 4.42Å; M219-F267 HydrophobicContact SD-CD2 3.71Å; M219-F267 HydrophobicContact SD-CE2 3.79Å; Y248-F267 AromaticContact CD2-CD2 3.81Å; Y248-F267 HydrophobicContact CD2-CD2 3.81Å; Y248-F267 AromaticContact CD2-CE2 3.49Å; Y248-F267 HydrophobicContact CD2-CE2 3.49Å; Y248-F267 VanDerWaalsContact CD2-CE2 3.49Å; Y248-F267 HydrophobicContact CE2-CD2 4.13Å; Y248-F267 HydrophobicContact CE2-CE2 4.19Å; Y248-F267 AromaticContact CG-CE2 3.79Å; Y248-F267 HydrophobicContact CG-CE2 3.79Å; Y248-F267 HydrophobicContact CG-CZ 4.48Å; Y248-F267 WeakPolarHBondContact O-CZ 3.35Å; Y252-F267 HydrophobicContact CD2-CB 3.93Å; Y252-F267 AromaticContact CD2-CD1 3.81Å; Y252-F267 HydrophobicContact CD2-CD1 3.81Å; Y252-F267 AromaticContact CD2-CD2 3.91Å; Y252-F267 HydrophobicContact CD2-CD2 3.91Å; Y252-F267 HydrophobicContact CD2-CE1 4.34Å; Y252-F267 HydrophobicContact CD2-CE2 4.4Å; Y252-F267 AromaticContact CD2-CG 3.57Å; Y252-F267 HydrophobicContact CD2-CG 3.57Å; Y252-F267 HydrophobicContact CE2-CB 4.3Å; Y252-F267 HydrophobicContact CE2-CG 4.37Å; Y252-F267 HydrophobicContact CG-CD1 4.01Å; Y252-F267 HydrophobicContact CG-CE1 4.38Å; Y252-F267 HydrophobicContact CG-CG 4.25Å; R263-F267 PolarHBondContact O-N 3.31Å; V265-F267 VanDerWaalsContact C-N 3.33Å; V265-F267 PolarHBondContact O-N 3.17Å; F267-M269 VanDerWaalsContact C-N 3.35Å; F267-M269 PolarHBondContact O-N 3.02Å; F267-V270 PolarHBondContact O-N 2.89Å; F267-M271 HydrophobicContact CE1-CB 4.35Å; F267-M271 HydrophobicContact CE1-CE 3.61Å; F267-M271 HydrophobicContact CE1-SD 3.87Å; F267-M271 HydrophobicContact CZ-CE 3.47Å; F267-M271 VanDerWaalsContact CZ-CE 3.47Å; F267-M271 HydrophobicContact CZ-SD 4.36Å; F267-M271 WeakPolarHBondContact O-CB 3.32Å; F267-M271 PolarHBondContact O-N 3.37Å |
| 268 | Y | 93.1 | Very high | 85.4 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.9 | -29.9 | -178.8 | -76.1 | -56.2 | 0 | 0 | 0 | 113.3 | W185 M189 Y252 M264 V265 T266 L272 F304 L311 | W185-Y268 HydrophobicContact CZ2-CE2 4.01Å; W185-Y268 WeakPolarHBondContact CZ2-OH 3.4Å; W185-Y268 AromaticContact NE1-CE2 3.96Å; W185-Y268 AromaticContact NE1-CZ 3.75Å; W185-Y268 PolarHBondContact NE1-OH 2.71Å; M189-Y268 HydrophobicContact CB-CE1 3.92Å; M189-Y268 HydrophobicContact CE-CD1 3.79Å; M189-Y268 HydrophobicContact CE-CD2 4.4Å; M189-Y268 HydrophobicContact CE-CE1 4.15Å; M189-Y268 HydrophobicContact CE-CG 3.94Å; M189-Y268 HydrophobicContact CG-CD1 4.21Å; M189-Y268 HydrophobicContact CG-CE1 3.73Å; M189-Y268 HydrophobicContact SD-CD1 4.42Å; Y252-Y268 HydrophobicContact CD1-CE2 4.42Å; M264-Y268 HydrophobicContact CE-CE2 3.92Å; M264-Y268 HydrophobicContact CG-CD2 4.07Å; M264-Y268 HydrophobicContact CG-CE2 3.95Å; M264-Y268 WeakPolarHBondContact O-CD2 3.47Å; M264-Y268 PolarHBondContact O-N 2.95Å; M264-Y268 VanDerWaalsContact O-N 3.13Å; V265-Y268 PolarHBondContact O-N 3.18Å; V265-Y268 VanDerWaalsContact O-N 3.16Å; T266-Y268 PolarHBondContact O-N 3.48Å; Y268-L272 VanDerWaalsContact O-CB 3.26Å; Y268-L272 WeakPolarHBondContact O-CB 3.44Å; Y268-L272 PolarHBondContact O-N 2.95Å; Y268-F304 WeakPolarHBondContact O-CZ 3.43Å; Y268-L311 HydrophobicContact CD2-CD2 4.48Å |
| 269 | M | 93.6 | Very high | 87.7 | Confident | 123 Ų | 123 | 58 Ų | 58 | 61% | 0.606 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -69.4 | -40.4 | 173.1 | -67.2 | -65.4 | -75.2 | 0 | 0 | 111.8 | V265 T266 F267 L272 L273 | V265-M269 HydrophobicContact CG1-CG 4.01Å; V265-M269 VanDerWaalsContact O-CG 3.25Å; V265-M269 WeakPolarHBondContact O-CG 3.28Å; V265-M269 PolarHBondContact O-N 3.46Å; T266-M269 PolarHBondContact O-N 3.01Å; F267-M269 VanDerWaalsContact C-N 3.35Å; F267-M269 PolarHBondContact O-N 3.02Å; M269-L272 PolarHBondContact O-N 3.46Å; M269-L273 WeakPolarHBondContact O-CB 3.45Å; M269-L273 PolarHBondContact O-N 3.38Å |
| 270 | V | 93.9 | Very high | 89.6 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 172.6 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | M219 T266 F267 L272 L273 E274 | M219-V270 HydrophobicContact CE-CB 4.39Å; M219-V270 HydrophobicContact CE-CG1 3.87Å; T266-V270 WeakPolarHBondContact O-CG2 3.43Å; T266-V270 PolarHBondContact O-N 2.92Å; F267-V270 PolarHBondContact O-N 2.89Å; V270-L272 VanDerWaalsContact C-N 3.33Å; V270-L272 PolarHBondContact O-N 2.73Å; V270-L273 PolarHBondContact O-N 3.31Å; V270-E274 WeakPolarHBondContact CG1-OE1 3.27Å; V270-E274 WeakPolarHBondContact O-CG 3.21Å; V270-E274 PolarHBondContact O-N 3.2Å |
| 271 | M | 94.1 | Very high | 91 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 177.7 | -178.7 | 170 | -82.7 | 0 | 0 | 112.6 | R193 F267 N275 | R193-M271 HydrophobicContact CB-SD 4.26Å; R193-M271 HydrophobicContact CG-CE 4.01Å; R193-M271 HydrophobicContact CG-SD 4.24Å; F267-M271 HydrophobicContact CE1-CB 4.35Å; F267-M271 HydrophobicContact CE1-CE 3.61Å; F267-M271 HydrophobicContact CE1-SD 3.87Å; F267-M271 HydrophobicContact CZ-CE 3.47Å; F267-M271 VanDerWaalsContact CZ-CE 3.47Å; F267-M271 HydrophobicContact CZ-SD 4.36Å; F267-M271 WeakPolarHBondContact O-CB 3.32Å; F267-M271 PolarHBondContact O-N 3.37Å; M271-N275 VanDerWaalsContact O-CB 3.26Å; M271-N275 WeakPolarHBondContact O-CB 3.3Å; M271-N275 PolarHBondContact O-N 2.85Å; M271-N275 PolarHBondContact O-ND2 3.04Å; M271-N275 PolarHBondContact O-OD1 3.15Å |
| 272 | L | 95.5 | Very high | 91.8 | Very high | 41 Ų | 41 | 47 Ų | 47 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.2 | -49.2 | 173.1 | 177.7 | 56.4 | 0 | 0 | 0 | 111.5 | Y268 M269 V270 E274 N275 I276 L301 F304 | Y268-L272 VanDerWaalsContact O-CB 3.26Å; Y268-L272 WeakPolarHBondContact O-CB 3.44Å; Y268-L272 PolarHBondContact O-N 2.95Å; M269-L272 PolarHBondContact O-N 3.46Å; V270-L272 VanDerWaalsContact C-N 3.33Å; V270-L272 PolarHBondContact O-N 2.73Å; L272-E274 PolarHBondContact O-N 2.76Å; L272-N275 PolarHBondContact O-N 3.49Å; L272-I276 HydrophobicContact CD1-CD1 3.85Å; L272-I276 HydrophobicContact CD1-CG1 4.15Å; L272-I276 HydrophobicContact CG-CD1 3.88Å; L272-I276 WeakPolarHBondContact O-CG1 3.4Å; L272-I276 PolarHBondContact O-N 3.23Å; L272-L301 HydrophobicContact CD1-CD2 4.01Å; L272-F304 HydrophobicContact CB-CE1 3.91Å; L272-F304 HydrophobicContact CB-CE2 4.12Å; L272-F304 HydrophobicContact CB-CZ 3.66Å; L272-F304 HydrophobicContact CD1-CD1 3.76Å; L272-F304 HydrophobicContact CD1-CD2 4.34Å; L272-F304 HydrophobicContact CD1-CE1 3.95Å; L272-F304 HydrophobicContact CD1-CE2 4.49Å; L272-F304 HydrophobicContact CD1-CG 3.98Å; L272-F304 HydrophobicContact CD1-CZ 4.32Å; L272-F304 HydrophobicContact CD2-CD1 4.28Å; L272-F304 HydrophobicContact CD2-CE1 3.88Å; L272-F304 HydrophobicContact CD2-CZ 4.48Å; L272-F304 HydrophobicContact CG-CD1 4.42Å; L272-F304 HydrophobicContact CG-CE1 4.12Å; L272-F304 HydrophobicContact CG-CZ 4.36Å |
| 273 | L | 95.8 | Very high | 92.1 | Very high | 107 Ų | 107 | 42.8 Ų | 42.8 | 56% | 0.56 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -60.3 | -46.4 | 179.9 | 179.6 | 60.4 | 0 | 0 | 0 | 111.4 | M269 V270 N275 I276 I277 | M269-L273 WeakPolarHBondContact O-CB 3.45Å; M269-L273 PolarHBondContact O-N 3.38Å; V270-L273 PolarHBondContact O-N 3.31Å; L273-N275 PolarHBondContact O-N 3.22Å; L273-I276 PolarHBondContact O-N 3.36Å; L273-I277 HydrophobicContact CD1-CD1 4.13Å; L273-I277 HydrophobicContact CG-CD1 4Å; L273-I277 VanDerWaalsContact O-CG1 3.28Å; L273-I277 WeakPolarHBondContact O-CG1 3.44Å; L273-I277 PolarHBondContact O-N 3.1Å |
| 274 | E | 95.5 | Very high | 91.6 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 17% | 0.173 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 173.6 | -76.4 | 178 | -155.7 | 0 | 0 | 112.7 | R193 H215 V270 L272 I276 I277 L278 | R193-E274 IonicContact CZ-OE2 3.79Å; R193-E274 VanDerWaalsContact CZ-OE2 3.22Å; R193-E274 IonicContact NH1-OE2 3.69Å; R193-E274 PolarHBondContact NH1-OE2 2.95Å; R193-E274 IonicContact NH2-OE2 3.45Å; R193-E274 PolarHBondContact NH2-OE2 2.87Å; H215-E274 IonicContact CE1-OE1 3.81Å; H215-E274 IonicContact CE1-OE2 3.6Å; H215-E274 IonicContact CG-OE1 2.63Å; H215-E274 IonicContact CG-OE2 2.74Å; H215-E274 IonicContact ND1-OE1 3.48Å; H215-E274 PolarHBondContact ND1-OE1 3.42Å; H215-E274 IonicContact ND1-OE2 3.7Å; H215-E274 PolarHBondContact ND1-OE2 2.95Å; V270-E274 WeakPolarHBondContact CG1-OE1 3.27Å; V270-E274 WeakPolarHBondContact O-CG 3.21Å; V270-E274 PolarHBondContact O-N 3.2Å; L272-E274 PolarHBondContact O-N 2.76Å; E274-I276 VanDerWaalsContact C-N 3.33Å; E274-I276 PolarHBondContact O-N 2.74Å; E274-I277 PolarHBondContact O-N 3.38Å; E274-L278 WeakPolarHBondContact O-CB 3.32Å; E274-L278 VanDerWaalsContact O-CG 3.26Å; E274-L278 WeakPolarHBondContact O-CG 3.47Å; E274-L278 PolarHBondContact O-N 2.89Å |
| 275 | N | 96.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 179 | -71.4 | -15.2 | 0 | 0 | 0 | 110.9 | T192 R193 S196 M271 L272 L273 L278 L279 | T192-N275 HydrophobicContact CG2-CB 4.16Å; R193-N275 WeakPolarHBondContact CD-OD1 3.15Å; R193-N275 PolarHBondContact NH1-OD1 3.24Å; S196-N275 PolarHBondContact OG-OD1 2.96Å; M271-N275 VanDerWaalsContact O-CB 3.26Å; M271-N275 WeakPolarHBondContact O-CB 3.3Å; M271-N275 PolarHBondContact O-N 2.85Å; M271-N275 PolarHBondContact O-ND2 3.04Å; M271-N275 PolarHBondContact O-OD1 3.15Å; L272-N275 PolarHBondContact O-N 3.49Å; L273-N275 PolarHBondContact O-N 3.22Å; N275-L278 PolarHBondContact O-N 2.89Å; N275-L279 WeakPolarHBondContact O-CB 3.41Å; N275-L279 VanDerWaalsContact O-CD1 3.25Å; N275-L279 WeakPolarHBondContact O-CD1 3.24Å; N275-L279 PolarHBondContact O-N 3.27Å |
| 276 | I | 95.4 | Very high | 89.3 | Confident | 58 Ų | 58 | 48.3 Ų | 48.3 | 30% | 0.297 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59 | -48.1 | 173.1 | -69.8 | 165.1 | 0 | 0 | 0 | 110.6 | L272 L273 E274 L279 L280 L301 | L272-I276 HydrophobicContact CD1-CD1 3.85Å; L272-I276 HydrophobicContact CD1-CG1 4.15Å; L272-I276 HydrophobicContact CG-CD1 3.88Å; L272-I276 WeakPolarHBondContact O-CG1 3.4Å; L272-I276 PolarHBondContact O-N 3.23Å; L273-I276 PolarHBondContact O-N 3.36Å; E274-I276 VanDerWaalsContact C-N 3.33Å; E274-I276 PolarHBondContact O-N 2.74Å; I276-L279 PolarHBondContact O-N 3.17Å; I276-L280 HydrophobicContact CG2-CD1 3.72Å; I276-L280 HydrophobicContact CG2-CG 4.3Å; I276-L280 WeakPolarHBondContact O-CB 3.37Å; I276-L280 VanDerWaalsContact O-CG 3.28Å; I276-L280 WeakPolarHBondContact O-CG 3.4Å; I276-L280 PolarHBondContact O-N 3.23Å; I276-L301 HydrophobicContact CG1-CD2 3.82Å |
| 277 | I | 94.1 | Very high | 88.1 | Confident | 83 Ų | 83 | 53 Ų | 53 | 43% | 0.426 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.8 | -50 | 178.3 | -68.4 | 164.4 | 0 | 0 | 0 | 110.8 | L273 E274 L279 L280 L281 | L273-I277 HydrophobicContact CD1-CD1 4.13Å; L273-I277 HydrophobicContact CG-CD1 4Å; L273-I277 VanDerWaalsContact O-CG1 3.28Å; L273-I277 WeakPolarHBondContact O-CG1 3.44Å; L273-I277 PolarHBondContact O-N 3.1Å; E274-I277 PolarHBondContact O-N 3.38Å; I277-L279 VanDerWaalsContact C-N 3.31Å; I277-L279 PolarHBondContact O-N 3.02Å; I277-L280 PolarHBondContact O-N 2.93Å; I277-L281 HydrophobicContact CG2-CD1 4.02Å; I277-L281 VanDerWaalsContact O-CD1 3.27Å; I277-L281 WeakPolarHBondContact O-CD1 3.28Å; I277-L281 PolarHBondContact O-N 3.3Å |
| 278 | L | 94.2 | Very high | 86.6 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.1 | -44.5 | 177.2 | -75.9 | 167.1 | 0 | 0 | 0 | 111.7 | L197 F200 V211 E274 N275 A282 | L197-L278 HydrophobicContact CD2-CD1 3.97Å; L197-L278 HydrophobicContact CG-CD1 4.5Å; F200-L278 HydrophobicContact CB-CB 4.47Å; F200-L278 HydrophobicContact CB-CD2 3.74Å; F200-L278 HydrophobicContact CD1-CD2 3.65Å; F200-L278 HydrophobicContact CD2-CD2 3.75Å; F200-L278 HydrophobicContact CE1-CD2 4.15Å; F200-L278 HydrophobicContact CE2-CD2 4.26Å; F200-L278 HydrophobicContact CG-CD2 3.42Å; F200-L278 VanDerWaalsContact CG-CD2 3.42Å; F200-L278 HydrophobicContact CZ-CD2 4.44Å; V211-L278 HydrophobicContact CG1-CD2 4.06Å; E274-L278 WeakPolarHBondContact O-CB 3.32Å; E274-L278 VanDerWaalsContact O-CG 3.26Å; E274-L278 WeakPolarHBondContact O-CG 3.47Å; E274-L278 PolarHBondContact O-N 2.89Å; N275-L278 PolarHBondContact O-N 2.89Å; L278-A282 WeakPolarHBondContact O-CB 3.31Å; L278-A282 PolarHBondContact O-N 3.1Å |
| 279 | L | 93.8 | Very high | 85.5 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.1 | -41 | 178.5 | -90.3 | 128.9 | 0 | 0 | 0 | 113.1 | L199 N275 I276 I277 L281 A282 T283 I297 V300 | L199-L279 HydrophobicContact CD1-CD2 3.86Å; L199-L279 HydrophobicContact CD1-CG 4.49Å; N275-L279 WeakPolarHBondContact O-CB 3.41Å; N275-L279 VanDerWaalsContact O-CD1 3.25Å; N275-L279 WeakPolarHBondContact O-CD1 3.24Å; N275-L279 PolarHBondContact O-N 3.27Å; I276-L279 PolarHBondContact O-N 3.17Å; I277-L279 VanDerWaalsContact C-N 3.31Å; I277-L279 PolarHBondContact O-N 3.02Å; L279-L281 VanDerWaalsContact C-N 3.34Å; L279-L281 PolarHBondContact O-N 3.46Å; L279-A282 PolarHBondContact O-N 3.17Å; L279-T283 WeakPolarHBondContact O-CB 3.49Å; L279-T283 WeakPolarHBondContact O-CG2 3.36Å; L279-T283 PolarHBondContact O-N 2.95Å; L279-T283 PolarHBondContact O-OG1 3Å; L279-I297 HydrophobicContact CD2-CG1 4.46Å; L279-V300 HydrophobicContact CD1-CB 4.06Å; L279-V300 HydrophobicContact CD1-CG1 3.81Å; L279-V300 HydrophobicContact CD2-CB 3.77Å; L279-V300 HydrophobicContact CD2-CG1 4.28Å; L279-V300 HydrophobicContact CD2-CG2 3.86Å |
| 280 | L | 91.7 | Very high | 84.9 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 27% | 0.272 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -38.6 | 177.8 | -73.7 | 171.3 | 0 | 0 | 0 | 112.2 | I276 I277 F285 I297 | I276-L280 HydrophobicContact CG2-CD1 3.72Å; I276-L280 HydrophobicContact CG2-CG 4.3Å; I276-L280 WeakPolarHBondContact O-CB 3.37Å; I276-L280 VanDerWaalsContact O-CG 3.28Å; I276-L280 WeakPolarHBondContact O-CG 3.4Å; I276-L280 PolarHBondContact O-N 3.23Å; I277-L280 PolarHBondContact O-N 2.93Å; L280-F285 HydrophobicContact CD2-CB 4.05Å; L280-F285 HydrophobicContact CD2-CD1 3.61Å; L280-F285 HydrophobicContact CD2-CE1 4.35Å; L280-F285 HydrophobicContact CD2-CG 3.95Å; L280-F285 PolarHBondContact O-N 2.8Å; L280-I297 HydrophobicContact CD2-CD1 4.41Å |
| 281 | L | 90.5 | Very high | 84.5 | Confident | 66 Ų | 66 | 61.2 Ų | 61.2 | 35% | 0.346 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.8 | -51.4 | 171.9 | -86.9 | 70.9 | 0 | 0 | 0 | 110.7 | F200 Y204 I277 L279 T283 D284 | F200-L281 HydrophobicContact CD2-CB 4.19Å; F200-L281 HydrophobicContact CE2-CB 3.88Å; F200-L281 HydrophobicContact CE2-CD2 3.86Å; Y204-L281 HydrophobicContact CE2-CB 3.91Å; Y204-L281 PolarHBondContact OH-O 3.13Å; I277-L281 HydrophobicContact CG2-CD1 4.02Å; I277-L281 VanDerWaalsContact O-CD1 3.27Å; I277-L281 WeakPolarHBondContact O-CD1 3.28Å; I277-L281 PolarHBondContact O-N 3.3Å; L279-L281 VanDerWaalsContact C-N 3.34Å; L279-L281 PolarHBondContact O-N 3.46Å; L281-T283 PolarHBondContact O-N 3.21Å; L281-D284 PolarHBondContact O-N 3.01Å |
| 282 | A | 89.8 | Confident | 84 | Confident | 14 Ų | 14 | 65.4 Ų | 65.4 | 12% | 0.116 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.5 | -8.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116 | L199 F200 A203 L278 L279 | L199-A282 HydrophobicContact CB-CB 4.02Å; F200-A282 HydrophobicContact CB-CB 4.16Å; F200-A282 HydrophobicContact CD2-CB 4.32Å; A203-A282 HydrophobicContact CB-CB 4.36Å; L278-A282 WeakPolarHBondContact O-CB 3.31Å; L278-A282 PolarHBondContact O-N 3.1Å; L279-A282 PolarHBondContact O-N 3.17Å |
| 283 | T | 85.9 | Confident | 83.7 | Confident | 21 Ų | 21 | 63.8 Ų | 63.8 | 13% | 0.129 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 14.1 | -177.2 | 61.5 | 0 | 0 | 0 | 0 | 112.9 | L279 L281 F285 S293 T296 I297 | L279-T283 WeakPolarHBondContact O-CB 3.49Å; L279-T283 WeakPolarHBondContact O-CG2 3.36Å; L279-T283 PolarHBondContact O-N 2.95Å; L279-T283 PolarHBondContact O-OG1 3Å; L281-T283 PolarHBondContact O-N 3.21Å; T283-F285 PolarHBondContact O-N 2.84Å; T283-S293 WeakPolarHBondContact CB-OG 3.41Å; T283-S293 PolarHBondContact O-OG 3.06Å; T283-S293 PolarHBondContact OG1-OG 3.03Å; T283-T296 HydrophobicContact CG2-CG2 4.29Å; T283-I297 HydrophobicContact CG2-CG1 4.34Å |
| 284 | D | 73.4 | Confident | 83.3 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 30.5 | 178.9 | -71.3 | -56.9 | 0 | 0 | 0 | 114.5 | L281 L286 Q287 G288 | L281-D284 PolarHBondContact O-N 3.01Å; D284-L286 PolarHBondContact O-N 3.41Å; D284-L286 VanDerWaalsContact O-N 3.1Å; D284-Q287 HydrophobicContact CB-CB 4.35Å; D284-Q287 HydrophobicContact CB-CG 4.44Å; D284-Q287 PolarHBondContact O-N 3.07Å; D284-Q287 PolarHBondContact OD1-NE2 3.31Å; D284-G288 PolarHBondContact O-N 2.95Å |
| 285 | F | 66.9 | Low | 83.1 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 30% | 0.298 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -29.7 | -173.2 | -174.9 | -97.8 | 0 | 0 | 0 | 112.7 | L280 T283 A289 L294 I297 | L280-F285 HydrophobicContact CD2-CB 4.05Å; L280-F285 HydrophobicContact CD2-CD1 3.61Å; L280-F285 HydrophobicContact CD2-CE1 4.35Å; L280-F285 HydrophobicContact CD2-CG 3.95Å; L280-F285 PolarHBondContact O-N 2.8Å; T283-F285 PolarHBondContact O-N 2.84Å; F285-A289 HydrophobicContact CD2-CB 4Å; F285-A289 HydrophobicContact CE2-CB 3.62Å; F285-A289 HydrophobicContact CZ-CB 4.22Å; F285-L294 HydrophobicContact CD2-CD2 4.47Å; F285-L294 HydrophobicContact CE2-CD2 3.59Å; F285-L294 HydrophobicContact CE2-CG 3.99Å; F285-L294 HydrophobicContact CZ-CD2 4.23Å; F285-I297 HydrophobicContact CB-CD1 4.19Å; F285-I297 HydrophobicContact CD2-CD1 3.81Å; F285-I297 HydrophobicContact CG-CD1 4.09Å |
| 286 | L | 61.5 | Low | 82.9 | Confident | 143 Ų | 143 | 68.4 Ų | 68.4 | 75% | 0.749 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -15.8 | 176.1 | -60.7 | 175.4 | 0 | 0 | 0 | 113.9 | D284 | D284-L286 PolarHBondContact O-N 3.41Å; D284-L286 VanDerWaalsContact O-N 3.1Å |
| 287 | Q | 63.3 | Low | 82.8 | Confident | 159 Ų | 159 | 66.7 Ų | 66.7 | 74% | 0.743 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -30.2 | 178.4 | -52.6 | -166.7 | 48.8 | 0 | 0 | 112.2 | D284 | D284-Q287 HydrophobicContact CB-CB 4.35Å; D284-Q287 HydrophobicContact CB-CG 4.44Å; D284-Q287 PolarHBondContact O-N 3.07Å; D284-Q287 PolarHBondContact OD1-NE2 3.31Å |
| 288 | G | 60.7 | Low | 82.7 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 51% | 0.505 | 36% | 0.364 | S | S | . | . | trans | -179.4 | 110.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | D284 S290 | D284-G288 PolarHBondContact O-N 2.95Å; G288-S290 PolarHBondContact O-N 3.21Å | ||
| 289 | A | 70.1 | Confident | 82.8 | Confident | 65 Ų | 65 | 67.3 Ų | 67.3 | 54% | 0.537 | 38% | 0.383 | S | S | . | . | trans | -69.9 | 95.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | F285 | F285-A289 HydrophobicContact CD2-CB 4Å; F285-A289 HydrophobicContact CE2-CB 3.62Å; F285-A289 HydrophobicContact CZ-CB 4.22Å | ||
| 290 | S | 81.6 | Confident | 82.9 | Confident | 54 Ų | 54 | 67.7 Ų | 67.7 | 38% | 0.378 | 39% | 0.386 | S | S | . | . | trans | -81.1 | 149.9 | 168.9 | 61.8 | 0 | 0 | 0 | 0 | 111.7 | G288 T292 S293 L294 | G288-S290 PolarHBondContact O-N 3.21Å; S290-T292 PolarHBondContact O-N 2.92Å; S290-T292 PolarHBondContact OG-OG1 2.82Å; S290-S293 WeakPolarHBondContact O-CB 3.38Å; S290-S293 PolarHBondContact O-N 3.38Å; S290-S293 VanDerWaalsContact O-N 3.14Å; S290-S293 WeakPolarHBondContact OG-CB 3.4Å; S290-S293 PolarHBondContact OG-N 3.43Å; S290-L294 PolarHBondContact O-N 2.92Å; S290-L294 VanDerWaalsContact O-N 3.08Å | ||
| 291 | W | 84.1 | Confident | 83.1 | Confident | 191 Ų | 191 | 67.5 Ų | 67.5 | 72% | 0.723 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.8 | -35.9 | 176.9 | 179.8 | -99 | 0 | 0 | 0 | 112.5 | L294 Q295 | W291-L294 PolarHBondContact O-N 3.13Å; W291-Q295 VanDerWaalsContact NE1-NE2 3.15Å; W291-Q295 WeakPolarHBondContact O-CG 3.28Å; W291-Q295 PolarHBondContact O-N 3.01Å |
| 292 | T | 85 | Confident | 83.4 | Confident | 89 Ų | 89 | 67.1 Ų | 67.1 | 55% | 0.546 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.9 | -34.6 | 176.3 | 47.3 | 0 | 0 | 0 | 0 | 113 | S290 T296 | S290-T292 PolarHBondContact O-N 2.92Å; S290-T292 PolarHBondContact OG-OG1 2.82Å; T292-T296 WeakPolarHBondContact O-CB 3.47Å; T292-T296 PolarHBondContact O-N 2.71Å; T292-T296 PolarHBondContact O-OG1 3.09Å |
| 293 | S | 87.7 | Confident | 83.6 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.6 | -50.5 | 169.6 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | T283 S290 Q295 T296 I297 | T283-S293 WeakPolarHBondContact CB-OG 3.41Å; T283-S293 PolarHBondContact O-OG 3.06Å; T283-S293 PolarHBondContact OG1-OG 3.03Å; S290-S293 WeakPolarHBondContact O-CB 3.38Å; S290-S293 PolarHBondContact O-N 3.38Å; S290-S293 VanDerWaalsContact O-N 3.14Å; S290-S293 WeakPolarHBondContact OG-CB 3.4Å; S290-S293 PolarHBondContact OG-N 3.43Å; S293-Q295 PolarHBondContact O-N 3.19Å; S293-T296 WeakPolarHBondContact O-CB 3.41Å; S293-T296 PolarHBondContact O-N 3.32Å; S293-T296 VanDerWaalsContact O-N 3.12Å; S293-I297 WeakPolarHBondContact O-CG1 3.18Å; S293-I297 PolarHBondContact O-N 3.12Å |
| 294 | L | 88.9 | Confident | 84.1 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 40% | 0.403 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.3 | -46.7 | 175.3 | -80 | 168.4 | 0 | 0 | 0 | 113.2 | F285 S290 W291 T296 I297 A298 | F285-L294 HydrophobicContact CD2-CD2 4.47Å; F285-L294 HydrophobicContact CE2-CD2 3.59Å; F285-L294 HydrophobicContact CE2-CG 3.99Å; F285-L294 HydrophobicContact CZ-CD2 4.23Å; S290-L294 PolarHBondContact O-N 2.92Å; S290-L294 VanDerWaalsContact O-N 3.08Å; W291-L294 PolarHBondContact O-N 3.13Å; L294-T296 VanDerWaalsContact C-N 3.3Å; L294-T296 PolarHBondContact O-N 3.13Å; L294-I297 PolarHBondContact O-N 3.34Å; L294-A298 WeakPolarHBondContact O-CB 3.18Å; L294-A298 PolarHBondContact O-N 3.12Å |
| 295 | Q | 90.6 | Very high | 85.2 | Confident | 110 Ų | 110 | 69 Ų | 69 | 51% | 0.514 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 176.1 | -75.8 | -178.9 | -44.1 | 0 | 0 | 112.2 | W291 S293 G299 | W291-Q295 VanDerWaalsContact NE1-NE2 3.15Å; W291-Q295 WeakPolarHBondContact O-CG 3.28Å; W291-Q295 PolarHBondContact O-N 3.01Å; S293-Q295 PolarHBondContact O-N 3.19Å; Q295-G299 PolarHBondContact O-N 3.23Å |
| 296 | T | 91.1 | Very high | 86.6 | Confident | 54 Ų | 54 | 70 Ų | 70 | 33% | 0.331 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.6 | -51 | 176.2 | -56.4 | 0 | 0 | 0 | 0 | 110.5 | L199 T283 T292 S293 L294 A298 G299 V300 | L199-T296 HydrophobicContact CD1-CG2 3.98Å; L199-T296 HydrophobicContact CD2-CG2 4.23Å; T283-T296 HydrophobicContact CG2-CG2 4.29Å; T292-T296 WeakPolarHBondContact O-CB 3.47Å; T292-T296 PolarHBondContact O-N 2.71Å; T292-T296 PolarHBondContact O-OG1 3.09Å; S293-T296 WeakPolarHBondContact O-CB 3.41Å; S293-T296 PolarHBondContact O-N 3.32Å; S293-T296 VanDerWaalsContact O-N 3.12Å; L294-T296 VanDerWaalsContact C-N 3.3Å; L294-T296 PolarHBondContact O-N 3.13Å; T296-A298 PolarHBondContact O-N 2.95Å; T296-G299 PolarHBondContact O-N 3.38Å; T296-V300 WeakPolarHBondContact O-CG2 3.29Å; T296-V300 PolarHBondContact O-N 3.42Å |
| 297 | I | 92.8 | Very high | 88.2 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 11% | 0.113 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -55.8 | -51.1 | 178.7 | -66.9 | 163.1 | 0 | 0 | 0 | 110.9 | L279 L280 T283 F285 S293 L294 G299 V300 L301 | L279-I297 HydrophobicContact CD2-CG1 4.46Å; L280-I297 HydrophobicContact CD2-CD1 4.41Å; T283-I297 HydrophobicContact CG2-CG1 4.34Å; F285-I297 HydrophobicContact CB-CD1 4.19Å; F285-I297 HydrophobicContact CD2-CD1 3.81Å; F285-I297 HydrophobicContact CG-CD1 4.09Å; S293-I297 WeakPolarHBondContact O-CG1 3.18Å; S293-I297 PolarHBondContact O-N 3.12Å; L294-I297 PolarHBondContact O-N 3.34Å; I297-G299 PolarHBondContact O-N 3.29Å; I297-V300 PolarHBondContact O-N 2.94Å; I297-L301 HydrophobicContact CG2-CD1 3.73Å; I297-L301 WeakPolarHBondContact O-CB 3.49Å; I297-L301 WeakPolarHBondContact O-CG 3.32Å; I297-L301 PolarHBondContact O-N 3.29Å |
| 298 | A | 94 | Very high | 89.7 | Confident | 60 Ų | 60 | 57.2 Ų | 57.2 | 50% | 0.496 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L294 T296 S302 | L294-A298 WeakPolarHBondContact O-CB 3.18Å; L294-A298 PolarHBondContact O-N 3.12Å; T296-A298 PolarHBondContact O-N 2.95Å; A298-S302 WeakPolarHBondContact O-CB 3.38Å; A298-S302 PolarHBondContact O-N 2.97Å |
| 299 | G | 94.5 | Very high | 91.3 | Very high | 41 Ų | 41 | 58.4 Ų | 58.4 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.6 | -51 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q295 T296 I297 S302 | Q295-G299 PolarHBondContact O-N 3.23Å; T296-G299 PolarHBondContact O-N 3.38Å; I297-G299 PolarHBondContact O-N 3.29Å; G299-S302 PolarHBondContact O-N 3.1Å; G299-S302 PolarHBondContact O-OG 3.24Å |
| 300 | V | 95.9 | Very high | 92.4 | Very high | 9 Ų | 9 | 55.7 Ų | 55.7 | 6% | 0.055 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.8 | -35.4 | -178 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | T192 L195 L199 L279 T296 I297 G303 | T192-V300 HydrophobicContact CG2-CG1 4.05Å; T192-V300 PolarHBondContact OG1-O 3.24Å; L195-V300 HydrophobicContact CB-CG1 3.95Å; L195-V300 HydrophobicContact CD2-CB 4.38Å; L195-V300 HydrophobicContact CD2-CG1 4.12Å; L195-V300 HydrophobicContact CD2-CG2 3.57Å; L195-V300 HydrophobicContact CG-CG1 4.11Å; L195-V300 HydrophobicContact CG-CG2 3.81Å; L199-V300 HydrophobicContact CD1-CG2 3.88Å; L279-V300 HydrophobicContact CD1-CB 4.06Å; L279-V300 HydrophobicContact CD1-CG1 3.81Å; L279-V300 HydrophobicContact CD2-CB 3.77Å; L279-V300 HydrophobicContact CD2-CG1 4.28Å; L279-V300 HydrophobicContact CD2-CG2 3.86Å; T296-V300 WeakPolarHBondContact O-CG2 3.29Å; T296-V300 PolarHBondContact O-N 3.42Å; I297-V300 PolarHBondContact O-N 2.94Å; V300-G303 PolarHBondContact O-N 2.87Å |
| 301 | L | 96.2 | Very high | 92.8 | Very high | 49 Ų | 49 | 54.4 Ų | 54.4 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.6 | -28.1 | 175 | -74.8 | 169.4 | 0 | 0 | 0 | 113.2 | L272 I276 I297 G303 F304 L305 | L272-L301 HydrophobicContact CD1-CD2 4.01Å; I276-L301 HydrophobicContact CG1-CD2 3.82Å; I297-L301 HydrophobicContact CG2-CD1 3.73Å; I297-L301 WeakPolarHBondContact O-CB 3.49Å; I297-L301 WeakPolarHBondContact O-CG 3.32Å; I297-L301 PolarHBondContact O-N 3.29Å; L301-G303 PolarHBondContact O-N 3.02Å; L301-F304 PolarHBondContact O-N 3.3Å; L301-F304 VanDerWaalsContact O-N 3.08Å; L301-L305 PolarHBondContact O-N 2.85Å |
| 302 | S | 96.4 | Very high | 93.1 | Very high | 57 Ų | 57 | 49.9 Ų | 49.9 | 40% | 0.399 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.4 | -34 | 175.3 | 78.7 | 0 | 0 | 0 | 0 | 112.3 | A298 G299 F304 L305 I306 | A298-S302 WeakPolarHBondContact O-CB 3.38Å; A298-S302 PolarHBondContact O-N 2.97Å; G299-S302 PolarHBondContact O-N 3.1Å; G299-S302 PolarHBondContact O-OG 3.24Å; S302-F304 PolarHBondContact O-N 3.47Å; S302-L305 PolarHBondContact O-N 2.92Å; S302-I306 WeakPolarHBondContact O-CB 3.49Å; S302-I306 WeakPolarHBondContact O-CD1 3.15Å; S302-I306 VanDerWaalsContact O-CG1 3.25Å; S302-I306 WeakPolarHBondContact O-CG1 3.13Å; S302-I306 PolarHBondContact O-N 3.27Å |
| 303 | G | 95.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G188 V300 L301 G307 | G188-G303 CarbonylContact C-O 3.52Å; G188-G303 WeakPolarHBondContact CA-O 3.31Å; V300-G303 PolarHBondContact O-N 2.87Å; L301-G303 PolarHBondContact O-N 3.02Å; G303-G307 PolarHBondContact O-N 3.43Å |
| 304 | F | 95.8 | Very high | 93.3 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.8 | -36.5 | 176.9 | -161.7 | -80.9 | 0 | 0 | 0 | 111.5 | M189 T192 Y268 L272 L301 S302 G307 S308 | M189-F304 HydrophobicContact CE-CD1 4.36Å; M189-F304 HydrophobicContact CE-CE1 3.78Å; M189-F304 HydrophobicContact CE-CE2 4Å; M189-F304 HydrophobicContact CE-CZ 3.57Å; M189-F304 HydrophobicContact SD-CD1 4.08Å; M189-F304 HydrophobicContact SD-CD2 3.56Å; M189-F304 VanDerWaalsContact SD-CD2 3.56Å; M189-F304 HydrophobicContact SD-CE1 3.98Å; M189-F304 HydrophobicContact SD-CE2 3.48Å; M189-F304 WeakPolarHBondContact SD-CE2 3.31Å; M189-F304 HydrophobicContact SD-CG 3.87Å; M189-F304 HydrophobicContact SD-CZ 3.69Å; T192-F304 HydrophobicContact CG2-CB 4.01Å; T192-F304 HydrophobicContact CG2-CD2 4.22Å; T192-F304 PolarHBondContact OG1-N 2.93Å; Y268-F304 WeakPolarHBondContact O-CZ 3.43Å; L272-F304 HydrophobicContact CB-CE1 3.91Å; L272-F304 HydrophobicContact CB-CE2 4.12Å; L272-F304 HydrophobicContact CB-CZ 3.66Å; L272-F304 HydrophobicContact CD1-CD1 3.76Å; L272-F304 HydrophobicContact CD1-CD2 4.34Å; L272-F304 HydrophobicContact CD1-CE1 3.95Å; L272-F304 HydrophobicContact CD1-CE2 4.49Å; L272-F304 HydrophobicContact CD1-CG 3.98Å; L272-F304 HydrophobicContact CD1-CZ 4.32Å; L272-F304 HydrophobicContact CD2-CD1 4.28Å; L272-F304 HydrophobicContact CD2-CE1 3.88Å; L272-F304 HydrophobicContact CD2-CZ 4.48Å; L272-F304 HydrophobicContact CG-CD1 4.42Å; L272-F304 HydrophobicContact CG-CE1 4.12Å; L272-F304 HydrophobicContact CG-CZ 4.36Å; L301-F304 PolarHBondContact O-N 3.3Å; L301-F304 VanDerWaalsContact O-N 3.08Å; S302-F304 PolarHBondContact O-N 3.47Å; F304-G307 PolarHBondContact O-N 3.32Å; F304-S308 WeakPolarHBondContact CD1-OG 3.3Å; F304-S308 VanDerWaalsContact CE1-OG 3.32Å; F304-S308 WeakPolarHBondContact CE1-OG 3Å; F304-S308 VanDerWaalsContact O-CB 3.26Å; F304-S308 WeakPolarHBondContact O-CB 3.47Å; F304-S308 PolarHBondContact O-N 2.8Å; F304-S308 PolarHBondContact O-OG 2.84Å |
| 305 | L | 96.4 | Very high | 93 | Very high | 114 Ų | 114 | 50.9 Ų | 50.9 | 60% | 0.597 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.3 | -48.8 | 174.5 | -177.7 | 63 | 0 | 0 | 0 | 111.2 | L301 S302 G307 S308 V309 | L301-L305 PolarHBondContact O-N 2.85Å; S302-L305 PolarHBondContact O-N 2.92Å; L305-G307 VanDerWaalsContact C-N 3.29Å; L305-G307 PolarHBondContact O-N 3.43Å; L305-S308 PolarHBondContact O-N 3.5Å; L305-V309 HydrophobicContact CD1-CG2 4.33Å; L305-V309 WeakPolarHBondContact O-CB 3.31Å; L305-V309 WeakPolarHBondContact O-CG2 3.23Å; L305-V309 PolarHBondContact O-N 3.13Å |
| 306 | I | 96.3 | Very high | 92.5 | Very high | 90 Ų | 90 | 48 Ų | 48 | 46% | 0.462 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 174.3 | -68.5 | 162.3 | 0 | 0 | 0 | 110.4 | S302 S308 S310 | S302-I306 WeakPolarHBondContact O-CB 3.49Å; S302-I306 WeakPolarHBondContact O-CD1 3.15Å; S302-I306 VanDerWaalsContact O-CG1 3.25Å; S302-I306 WeakPolarHBondContact O-CG1 3.13Å; S302-I306 PolarHBondContact O-N 3.27Å; I306-S308 PolarHBondContact O-N 3.46Å; I306-S310 VanDerWaalsContact O-CB 3.31Å; I306-S310 WeakPolarHBondContact O-CB 3.32Å; I306-S310 PolarHBondContact O-N 3.44Å; I306-S310 PolarHBondContact O-OG 3.18Å |
| 307 | G | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G303 F304 L305 L311 | G303-G307 PolarHBondContact O-N 3.43Å; F304-G307 PolarHBondContact O-N 3.32Å; L305-G307 VanDerWaalsContact C-N 3.29Å; L305-G307 PolarHBondContact O-N 3.43Å; G307-L311 WeakPolarHBondContact O-CB 3.3Å; G307-L311 PolarHBondContact O-N 3.05Å |
| 308 | S | 93.7 | Very high | 90.7 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 23% | 0.231 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74 | -40.5 | 179.3 | -60.6 | 0 | 0 | 0 | 0 | 112.9 | M189 F304 L305 I306 S310 L311 V312 | M189-S308 WeakPolarHBondContact CE-OG 3.27Å; F304-S308 WeakPolarHBondContact CD1-OG 3.3Å; F304-S308 VanDerWaalsContact CE1-OG 3.32Å; F304-S308 WeakPolarHBondContact CE1-OG 3Å; F304-S308 VanDerWaalsContact O-CB 3.26Å; F304-S308 WeakPolarHBondContact O-CB 3.47Å; F304-S308 PolarHBondContact O-N 2.8Å; F304-S308 PolarHBondContact O-OG 2.84Å; L305-S308 PolarHBondContact O-N 3.5Å; I306-S308 PolarHBondContact O-N 3.46Å; S308-S310 VanDerWaalsContact C-N 3.34Å; S308-L311 WeakPolarHBondContact O-CB 3.18Å; S308-L311 PolarHBondContact O-N 3.39Å; S308-V312 WeakPolarHBondContact O-CG2 3.36Å; S308-V312 PolarHBondContact O-N 3.11Å |
| 309 | V | 94.9 | Very high | 89.5 | Confident | 74 Ų | 74 | 50.1 Ų | 50.1 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 173.1 | 169.7 | 0 | 0 | 0 | 0 | 110 | L305 V312 I313 | L305-V309 HydrophobicContact CD1-CG2 4.33Å; L305-V309 WeakPolarHBondContact O-CB 3.31Å; L305-V309 WeakPolarHBondContact O-CG2 3.23Å; L305-V309 PolarHBondContact O-N 3.13Å; V309-V312 PolarHBondContact O-N 3.45Å; V309-I313 HydrophobicContact CG1-CD1 3.73Å; V309-I313 HydrophobicContact CG1-CG1 4.43Å; V309-I313 VanDerWaalsContact O-CG1 3.3Å; V309-I313 WeakPolarHBondContact O-CG1 3.33Å; V309-I313 PolarHBondContact O-N 3.2Å |
| 310 | S | 92.8 | Very high | 87.8 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 174.3 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | C181 L184 I306 S308 V312 I313 Y314 | C181-S310 PolarHBondContact SG-O 3.26Å; L184-S310 WeakPolarHBondContact CB-OG 3.38Å; I306-S310 VanDerWaalsContact O-CB 3.31Å; I306-S310 WeakPolarHBondContact O-CB 3.32Å; I306-S310 PolarHBondContact O-N 3.44Å; I306-S310 PolarHBondContact O-OG 3.18Å; S308-S310 VanDerWaalsContact C-N 3.34Å; S310-V312 VanDerWaalsContact C-N 3.34Å; S310-V312 PolarHBondContact O-N 3.03Å; S310-I313 PolarHBondContact O-N 3.03Å; S310-Y314 WeakPolarHBondContact O-CB 3.47Å; S310-Y314 PolarHBondContact O-N 3.26Å |
| 311 | L | 90.9 | Very high | 85.9 | Confident | 28 Ų | 28 | 57.6 Ų | 57.6 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.4 | -45.4 | 173.8 | 172.8 | 64.1 | 0 | 0 | 0 | 112.1 | W185 M189 M264 Y268 G307 S308 Y315 | W185-L311 HydrophobicContact CD2-CB 4.3Å; W185-L311 HydrophobicContact CD2-CD1 3.88Å; W185-L311 HydrophobicContact CE3-CD1 4.2Å; W185-L311 HydrophobicContact CG-CB 3.94Å; W185-L311 HydrophobicContact CG-CD1 4.41Å; W185-L311 HydrophobicContact CH2-CD1 4.29Å; W185-L311 HydrophobicContact CZ2-CD1 3.98Å; W185-L311 HydrophobicContact CZ3-CD1 4.38Å; M189-L311 HydrophobicContact CE-CD2 4.42Å; M264-L311 HydrophobicContact CE-CD1 3.47Å; M264-L311 VanDerWaalsContact CE-CD1 3.47Å; M264-L311 HydrophobicContact CE-CD2 4.48Å; Y268-L311 HydrophobicContact CD2-CD2 4.48Å; G307-L311 WeakPolarHBondContact O-CB 3.3Å; G307-L311 PolarHBondContact O-N 3.05Å; S308-L311 WeakPolarHBondContact O-CB 3.18Å; S308-L311 PolarHBondContact O-N 3.39Å; L311-Y315 HydrophobicContact CD1-CD2 3.52Å; L311-Y315 HydrophobicContact CD1-CE2 3.49Å; L311-Y315 VanDerWaalsContact CD1-CE2 3.49Å; L311-Y315 HydrophobicContact CG-CD2 4.42Å; L311-Y315 WeakPolarHBondContact O-CD2 3.19Å; L311-Y315 PolarHBondContact O-N 3Å; L311-Y315 VanDerWaalsContact O-N 3.12Å |
| 312 | V | 89.8 | Confident | 83.9 | Confident | 95 Ų | 95 | 56 Ų | 56 | 58% | 0.576 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.3 | -45.2 | 178.7 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | S308 V309 S310 Y314 Y315 S316 | S308-V312 WeakPolarHBondContact O-CG2 3.36Å; S308-V312 PolarHBondContact O-N 3.11Å; V309-V312 PolarHBondContact O-N 3.45Å; S310-V312 VanDerWaalsContact C-N 3.34Å; S310-V312 PolarHBondContact O-N 3.03Å; V312-Y314 VanDerWaalsContact C-N 3.31Å; V312-Y314 PolarHBondContact O-N 3.05Å; V312-Y315 PolarHBondContact O-N 2.94Å; V312-S316 VanDerWaalsContact O-CB 3.29Å; V312-S316 WeakPolarHBondContact O-CB 3.47Å; V312-S316 PolarHBondContact O-N 2.93Å; V312-S316 PolarHBondContact O-OG 3.44Å |
| 313 | I | 89.2 | Confident | 81.9 | Confident | 68 Ų | 68 | 55.5 Ų | 55.5 | 35% | 0.349 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 176.8 | -70.6 | 167.5 | 0 | 0 | 0 | 110.4 | V309 S310 S316 L317 L318 | V309-I313 HydrophobicContact CG1-CD1 3.73Å; V309-I313 HydrophobicContact CG1-CG1 4.43Å; V309-I313 VanDerWaalsContact O-CG1 3.3Å; V309-I313 WeakPolarHBondContact O-CG1 3.33Å; V309-I313 PolarHBondContact O-N 3.2Å; S310-I313 PolarHBondContact O-N 3.03Å; I313-S316 PolarHBondContact O-N 3.49Å; I313-S316 PolarHBondContact O-OG 2.91Å; I313-L317 PolarHBondContact O-N 2.84Å; I313-L318 HydrophobicContact CG2-CD1 4.12Å |
| 314 | Y | 86.6 | Confident | 80 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 10% | 0.098 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -59.2 | -51.8 | 177.8 | 174.3 | -105.4 | 0 | 0 | 0 | 112 | A178 Q182 S310 V312 S316 L318 H319 | A178-Y314 HydrophobicContact CB-CD2 4.37Å; A178-Y314 HydrophobicContact CB-CE2 4.27Å; Q182-Y314 HydrophobicContact CG-CD2 3.75Å; Q182-Y314 HydrophobicContact CG-CE1 4.48Å; Q182-Y314 HydrophobicContact CG-CE2 3.71Å; Q182-Y314 HydrophobicContact CG-CG 4.18Å; Q182-Y314 VanDerWaalsContact NE2-CZ 3.28Å; Q182-Y314 PolarHBondContact NE2-OH 3.02Å; Q182-Y314 VanDerWaalsContact NE2-OH 3.15Å; S310-Y314 WeakPolarHBondContact O-CB 3.47Å; S310-Y314 PolarHBondContact O-N 3.26Å; V312-Y314 VanDerWaalsContact C-N 3.31Å; V312-Y314 PolarHBondContact O-N 3.05Å; Y314-S316 PolarHBondContact O-N 2.93Å; Y314-L318 HydrophobicContact CD2-CB 4.26Å; Y314-L318 CarbonylContact O-C 3.56Å; Y314-L318 PolarHBondContact O-N 3.44Å; Y314-H319 WeakPolarHBondContact O-CB 3.42Å; Y314-H319 PolarHBondContact O-N 3.41Å |
| 315 | Y | 82.8 | Confident | 78.1 | Confident | 101 Ų | 101 | 65.4 Ų | 65.4 | 40% | 0.396 | 35% | 0.346 | S | S | . | . | I | π-helix | trans | -77.9 | -14.3 | -177.6 | -81.8 | -72.6 | 0 | 0 | 0 | 115.6 | M264 L311 V312 H319 S322 | M264-Y315 HydrophobicContact CE-CE2 3.94Å; M264-Y315 HydrophobicContact SD-CE2 4.31Å; L311-Y315 HydrophobicContact CD1-CD2 3.52Å; L311-Y315 HydrophobicContact CD1-CE2 3.49Å; L311-Y315 VanDerWaalsContact CD1-CE2 3.49Å; L311-Y315 HydrophobicContact CG-CD2 4.42Å; L311-Y315 WeakPolarHBondContact O-CD2 3.19Å; L311-Y315 PolarHBondContact O-N 3Å; L311-Y315 VanDerWaalsContact O-N 3.12Å; V312-Y315 PolarHBondContact O-N 2.94Å; Y315-H319 HydrophobicContact CD1-CB 4.36Å; Y315-H319 AromaticContact CE1-CD2 3.92Å; Y315-S322 VanDerWaalsContact O-CB 3.3Å; Y315-S322 WeakPolarHBondContact O-CB 3.34Å; Y315-S322 PolarHBondContact O-OG 3.29Å |
| 316 | S | 80.8 | Confident | 76 | Confident | 50 Ų | 50 | 66.2 Ų | 66.2 | 35% | 0.35 | 34% | 0.341 | S | S | . | . | I | π-helix | trans | -94.8 | -48.3 | 176.8 | 55.5 | 0 | 0 | 0 | 0 | 112.7 | V312 I313 Y314 S322 | V312-S316 VanDerWaalsContact O-CB 3.29Å; V312-S316 WeakPolarHBondContact O-CB 3.47Å; V312-S316 PolarHBondContact O-N 2.93Å; V312-S316 PolarHBondContact O-OG 3.44Å; I313-S316 PolarHBondContact O-N 3.49Å; I313-S316 PolarHBondContact O-OG 2.91Å; Y314-S316 PolarHBondContact O-N 2.93Å; S316-S322 VanDerWaalsContact C-OG 3.25Å; S316-S322 VanDerWaalsContact O-CB 3.24Å; S316-S322 WeakPolarHBondContact O-CB 3.35Å; S316-S322 PolarHBondContact O-OG 3.18Å |
| 317 | L | 76.9 | Confident | 74.1 | Confident | 85 Ų | 85 | 68 Ų | 68 | 45% | 0.445 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -104.8 | -27.5 | -170.8 | -59.2 | -178.4 | 0 | 0 | 0 | 114.5 | I313 W326 | I313-L317 PolarHBondContact O-N 2.84Å; L317-W326 HydrophobicContact CD2-CD2 4.46Å |
| 318 | L | 69.9 | Low | 72.2 | Confident | 45 Ų | 45 | 69.8 Ų | 69.8 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | I | π-helix | trans | -118.4 | -2.9 | -163.9 | -64.3 | 167.7 | 0 | 0 | 0 | 114.4 | A177 A178 C181 I313 Y314 | A177-L318 HydrophobicContact CB-CD2 4.48Å; A178-L318 HydrophobicContact CB-CB 4.01Å; A178-L318 HydrophobicContact CB-CD1 4.45Å; C181-L318 HydrophobicContact CB-CD1 4.02Å; I313-L318 HydrophobicContact CG2-CD1 4.12Å; Y314-L318 HydrophobicContact CD2-CB 4.26Å; Y314-L318 CarbonylContact O-C 3.56Å; Y314-L318 PolarHBondContact O-N 3.44Å |
| 319 | H | 67.5 | Low | 70.2 | Confident | 49 Ų | 49 | 71.2 Ų | 71.2 | 23% | 0.227 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -88.5 | 131.3 | 176.9 | -178.2 | -97.3 | 0 | 0 | 0 | 109.8 | Y314 Y315 K321 S322 T323 | Y314-H319 WeakPolarHBondContact O-CB 3.42Å; Y314-H319 PolarHBondContact O-N 3.41Å; Y315-H319 HydrophobicContact CD1-CB 4.36Å; Y315-H319 AromaticContact CE1-CD2 3.92Å; H319-K321 PolarHBondContact ND1-N 2.98Å; H319-K321 PolarHBondContact O-N 2.68Å; H319-S322 PolarHBondContact O-N 2.99Å; H319-S322 PolarHBondContact O-OG 3.31Å; H319-T323 PolarHBondContact O-N 3.19Å |
| 320 | P | 59.3 | Low | 68.3 | Low | 47 Ų | 47 | 71.2 Ų | 71.2 | 31% | 0.305 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -13.6 | -169.7 | 24.1 | -34.6 | 0 | 0 | 0 | 114.9 | T323 | P320-T323 PolarHBondContact O-OG1 3.36Å; P320-T323 VanDerWaalsContact O-OG1 3.07Å |
| 321 | K | 57 | Low | 66.4 | Low | 161 Ų | 161 | 80.6 Ų | 80.6 | 70% | 0.7 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -10.3 | 170.8 | -59.2 | -170.7 | 175.5 | -174.5 | 0 | 114.1 | H319 I325 | H319-K321 PolarHBondContact ND1-N 2.98Å; H319-K321 PolarHBondContact O-N 2.68Å; K321-I325 VanDerWaalsContact O-CD1 3.32Å; K321-I325 WeakPolarHBondContact O-CD1 3.23Å; K321-I325 WeakPolarHBondContact O-CG1 3.36Å |
| 322 | S | 53.8 | Low | 64.7 | Low | 16 Ų | 16 | 87.1 Ų | 87.1 | 11% | 0.112 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -25.8 | 176.2 | 73.4 | 0 | 0 | 0 | 0 | 112.1 | Y315 S316 H319 D324 I325 W326 | Y315-S322 VanDerWaalsContact O-CB 3.3Å; Y315-S322 WeakPolarHBondContact O-CB 3.34Å; Y315-S322 PolarHBondContact O-OG 3.29Å; S316-S322 VanDerWaalsContact C-OG 3.25Å; S316-S322 VanDerWaalsContact O-CB 3.24Å; S316-S322 WeakPolarHBondContact O-CB 3.35Å; S316-S322 PolarHBondContact O-OG 3.18Å; H319-S322 PolarHBondContact O-N 2.99Å; H319-S322 PolarHBondContact O-OG 3.31Å; S322-D324 VanDerWaalsContact C-N 3.3Å; S322-D324 PolarHBondContact O-N 3.12Å; S322-I325 PolarHBondContact O-N 2.96Å; S322-W326 VanDerWaalsContact O-CB 3.27Å; S322-W326 WeakPolarHBondContact O-CB 3.45Å; S322-W326 PolarHBondContact O-N 2.85Å |
| 323 | T | 53.4 | Low | 62.6 | Low | 45 Ų | 45 | 86.1 Ų | 86.1 | 28% | 0.276 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -56.1 | -42.8 | 172.2 | 44.8 | 0 | 0 | 0 | 0 | 112.2 | H319 P320 W326 Q327 | H319-T323 PolarHBondContact O-N 3.19Å; P320-T323 PolarHBondContact O-OG1 3.36Å; P320-T323 VanDerWaalsContact O-OG1 3.07Å; T323-W326 PolarHBondContact O-N 3.45Å; T323-Q327 WeakPolarHBondContact O-CB 3.46Å; T323-Q327 VanDerWaalsContact O-CG 3.3Å; T323-Q327 WeakPolarHBondContact O-CG 3.4Å; T323-Q327 PolarHBondContact O-N 2.9Å |
| 324 | D | 57.3 | Low | 60.7 | Low | 111 Ų | 111 | 87.3 Ų | 87.3 | 59% | 0.594 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69.2 | -37.6 | -180 | -57.3 | -9.8 | 0 | 0 | 0 | 111.6 | S322 G328 | S322-D324 VanDerWaalsContact C-N 3.3Å; S322-D324 PolarHBondContact O-N 3.12Å; D324-G328 PolarHBondContact O-N 3.15Å |
| 325 | I | 54.8 | Low | 58.8 | Low | 128 Ų | 128 | 88.5 Ų | 88.5 | 66% | 0.656 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -71.3 | -39.8 | 177.5 | -60.2 | 173.8 | 0 | 0 | 0 | 110.4 | K321 S322 G328 C329 | K321-I325 VanDerWaalsContact O-CD1 3.32Å; K321-I325 WeakPolarHBondContact O-CD1 3.23Å; K321-I325 WeakPolarHBondContact O-CG1 3.36Å; S322-I325 PolarHBondContact O-N 2.96Å; I325-G328 PolarHBondContact O-N 2.88Å; I325-C329 WeakPolarHBondContact O-CB 3.45Å; I325-C329 PolarHBondContact O-N 3.03Å |
| 326 | W | 53.1 | Low | 57 | Low | 131 Ų | 131 | 90.6 Ų | 90.6 | 50% | 0.496 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.8 | -41.8 | 176.6 | -178.4 | -113.1 | 0 | 0 | 0 | 111.7 | L317 S322 T323 G328 C329 L330 | L317-W326 HydrophobicContact CD2-CD2 4.46Å; S322-W326 VanDerWaalsContact O-CB 3.27Å; S322-W326 WeakPolarHBondContact O-CB 3.45Å; S322-W326 PolarHBondContact O-N 2.85Å; T323-W326 PolarHBondContact O-N 3.45Å; W326-G328 VanDerWaalsContact C-N 3.34Å; W326-C329 WeakPolarHBondContact O-CB 3.3Å; W326-C329 PolarHBondContact O-N 3.43Å; W326-L330 HydrophobicContact CD2-CG 4.44Å; W326-L330 HydrophobicContact CZ2-CD1 4.46Å; W326-L330 HydrophobicContact CZ2-CD2 4.15Å; W326-L330 HydrophobicContact CZ2-CG 4.36Å; W326-L330 WeakPolarHBondContact O-CB 3.45Å; W326-L330 WeakPolarHBondContact O-CG 3.35Å; W326-L330 PolarHBondContact O-N 3.49Å |
| 327 | Q | 55.4 | Low | 55.2 | Low | 127 Ų | 127 | 92.7 Ų | 92.7 | 59% | 0.593 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.8 | -36.8 | 170.5 | -73.5 | -176.7 | 26.7 | 0 | 0 | 111.9 | T323 C329 R331 | T323-Q327 WeakPolarHBondContact O-CB 3.46Å; T323-Q327 VanDerWaalsContact O-CG 3.3Å; T323-Q327 WeakPolarHBondContact O-CG 3.4Å; T323-Q327 PolarHBondContact O-N 2.9Å; Q327-C329 VanDerWaalsContact C-N 3.34Å; Q327-R331 WeakPolarHBondContact O-CB 3.49Å; Q327-R331 PolarHBondContact O-N 3.39Å |
| 328 | G | 56.1 | Low | 53.8 | Low | 39 Ų | 39 | 92 Ų | 92 | 40% | 0.402 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D324 I325 W326 K332 | D324-G328 PolarHBondContact O-N 3.15Å; I325-G328 PolarHBondContact O-N 2.88Å; W326-G328 VanDerWaalsContact C-N 3.34Å; G328-K332 PolarHBondContact O-N 2.91Å |
| 329 | C | 51.4 | Low | 52.4 | Low | 62 Ų | 62 | 92.9 Ų | 92.9 | 42% | 0.419 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.5 | -50.7 | 175 | -165.7 | 0 | 0 | 0 | 0 | 111.5 | I325 W326 Q327 R331 K332 S333 | I325-C329 WeakPolarHBondContact O-CB 3.45Å; I325-C329 PolarHBondContact O-N 3.03Å; W326-C329 WeakPolarHBondContact O-CB 3.3Å; W326-C329 PolarHBondContact O-N 3.43Å; Q327-C329 VanDerWaalsContact C-N 3.34Å; C329-R331 VanDerWaalsContact C-N 3.33Å; C329-R331 PolarHBondContact O-N 3.08Å; C329-K332 CarbonylContact O-C 3.42Å; C329-K332 WeakPolarHBondContact O-CA 3.48Å; C329-K332 VanDerWaalsContact O-CB 3.31Å; C329-K332 WeakPolarHBondContact O-CB 3.28Å; C329-K332 PolarHBondContact O-N 3.37Å; C329-S333 PolarHBondContact O-N 3.19Å; C329-S333 PolarHBondContact O-OG 3.39Å |
| 330 | L | 54.9 | Low | 50.9 | Low | 75 Ų | 75 | 96.3 Ų | 96.3 | 39% | 0.393 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.6 | -41 | 174.9 | -72.8 | 176.8 | 0 | 0 | 0 | 112 | W326 K332 S333 C334 | W326-L330 HydrophobicContact CD2-CG 4.44Å; W326-L330 HydrophobicContact CZ2-CD1 4.46Å; W326-L330 HydrophobicContact CZ2-CD2 4.15Å; W326-L330 HydrophobicContact CZ2-CG 4.36Å; W326-L330 WeakPolarHBondContact O-CB 3.45Å; W326-L330 WeakPolarHBondContact O-CG 3.35Å; W326-L330 PolarHBondContact O-N 3.49Å; L330-K332 VanDerWaalsContact C-N 3.26Å; L330-K332 PolarHBondContact O-N 2.89Å; L330-S333 PolarHBondContact O-N 3.27Å; L330-C334 WeakPolarHBondContact O-CB 3.23Å; L330-C334 PolarHBondContact O-N 3.24Å; L330-C334 PolarHBondContact O-SG 3.06Å |
| 331 | R | 54.1 | Low | 50.1 | Low | 205 Ų | 205 | 102 Ų | 102 | 77% | 0.774 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.2 | -30.4 | 174 | -176.1 | 176.5 | -73.5 | -166.1 | -1.8 | 112 | Q327 C329 G335 | Q327-R331 WeakPolarHBondContact O-CB 3.49Å; Q327-R331 PolarHBondContact O-N 3.39Å; C329-R331 VanDerWaalsContact C-N 3.33Å; C329-R331 PolarHBondContact O-N 3.08Å; R331-G335 WeakPolarHBondContact O-CA 3.49Å; R331-G335 PolarHBondContact O-N 3.35Å |
| 332 | K | 53.7 | Low | 49.1 | Very low | 164 Ų | 164 | 100.2 Ų | 100.2 | 71% | 0.713 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.4 | -47.4 | 169.6 | -103 | -179.6 | 173.1 | -179.3 | 0 | 112 | G328 C329 L330 G335 I336 | G328-K332 PolarHBondContact O-N 2.91Å; C329-K332 CarbonylContact O-C 3.42Å; C329-K332 WeakPolarHBondContact O-CA 3.48Å; C329-K332 VanDerWaalsContact O-CB 3.31Å; C329-K332 WeakPolarHBondContact O-CB 3.28Å; C329-K332 PolarHBondContact O-N 3.37Å; L330-K332 VanDerWaalsContact C-N 3.26Å; L330-K332 PolarHBondContact O-N 2.89Å; K332-G335 PolarHBondContact O-N 3.06Å; K332-I336 WeakPolarHBondContact O-CG1 3.22Å; K332-I336 PolarHBondContact O-N 2.84Å |
| 333 | S | 47.2 | Very low | 48.3 | Very low | 75 Ų | 75 | 107.6 Ų | 107.6 | 52% | 0.524 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63 | -43.8 | 179.1 | -57.9 | 0 | 0 | 0 | 0 | 112.6 | C329 L330 | C329-S333 PolarHBondContact O-N 3.19Å; C329-S333 PolarHBondContact O-OG 3.39Å; L330-S333 PolarHBondContact O-N 3.27Å |
| 334 | C | 49 | Very low | 47.1 | Very low | 93 Ų | 93 | 117 Ų | 117 | 63% | 0.628 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.5 | -27.1 | 174.2 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | L330 I336 A337 | L330-C334 WeakPolarHBondContact O-CB 3.23Å; L330-C334 PolarHBondContact O-N 3.24Å; L330-C334 PolarHBondContact O-SG 3.06Å; C334-I336 PolarHBondContact O-N 3.33Å; C334-A337 PolarHBondContact O-N 3.1Å; C334-A337 VanDerWaalsContact O-N 3.15Å |
| 335 | G | 46.3 | Very low | 45.8 | Very low | 49 Ų | 49 | 115.2 Ų | 115.2 | 51% | 0.505 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -67.6 | -19.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | R331 K332 A337 G338 | R331-G335 WeakPolarHBondContact O-CA 3.49Å; R331-G335 PolarHBondContact O-N 3.35Å; K332-G335 PolarHBondContact O-N 3.06Å; G335-A337 VanDerWaalsContact C-N 3.28Å; G335-G338 PolarHBondContact O-N 2.65Å |
| 336 | I | 46.2 | Very low | 44.4 | Very low | 145 Ų | 145 | 114.4 Ų | 114.4 | 74% | 0.744 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -14.4 | 174.1 | -69.4 | 163.9 | 0 | 0 | 0 | 111.9 | K332 C334 G338 | K332-I336 WeakPolarHBondContact O-CG1 3.22Å; K332-I336 PolarHBondContact O-N 2.84Å; C334-I336 PolarHBondContact O-N 3.33Å; I336-G338 VanDerWaalsContact C-N 3.27Å; I336-G338 PolarHBondContact O-N 2.86Å |
| 337 | A | 42.1 | Very low | 43.2 | Very low | 94 Ų | 94 | 113.6 Ų | 113.6 | 78% | 0.777 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 14.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C334 G335 | C334-A337 PolarHBondContact O-N 3.1Å; C334-A337 VanDerWaalsContact O-N 3.15Å; G335-A337 VanDerWaalsContact C-N 3.28Å |
| 338 | G | 48.2 | Very low | 42.6 | Very low | 70 Ų | 70 | 112.9 Ų | 112.9 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -117 | 23 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | G335 I336 | G335-G338 PolarHBondContact O-N 2.65Å; I336-G338 VanDerWaalsContact C-N 3.27Å; I336-G338 PolarHBondContact O-N 2.86Å |
| 339 | G | 39.8 | Very low | 41.1 | Very low | 65 Ų | 65 | 122.1 Ų | 122.1 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | trans | -171.1 | 151 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 340 | D | 36.9 | Very low | 39.9 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | cis | -158.3 | 144.8 | 15.8 | -169.6 | 11.1 | 0 | 0 | 0 | 111.8 | ||||
| 341 | K | 40.9 | Very low | 38.7 | Very low | 166 Ų | 166 | 126.4 Ų | 126.4 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | trans | 63.4 | 164.6 | 169.6 | -71.1 | 140.5 | -167.3 | 159 | 0 | 117.6 | ||||
| 342 | T | 36.6 | Very low | 37.6 | Very low | 124 Ų | 124 | 121 Ų | 121 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | cis | -141.6 | 156.6 | 19.1 | -37.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 343 | E | 36.9 | Very low | 36.4 | Very low | 172 Ų | 172 | 121.1 Ų | 121.1 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -39.1 | 159.3 | 176.4 | -43.8 | 169.1 | 129.2 | 0 | 0 | 119.5 | ||||
| 344 | R | 28.1 | Very low | 35.4 | Very low | 241 Ų | 241 | 122.1 Ų | 122.1 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | -169.1 | 116.4 | 107.9 | 178.8 | 158.6 | -75.1 | -139 | -3.8 | 115.3 | |||||
| 345 | G | 29.4 | Very low | 34.3 | Very low | 75 Ų | 75 | 121.4 Ų | 121.4 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | 86.8 | 93.7 | 130.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 346 | A | 26.5 | Very low | 33.3 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | -155.1 | 144.7 | 143.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 347 | S | 27.8 | Very low | 32.4 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -135.9 | 160.1 | 172.2 | -159.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 348 | P | 41.7 | Very low | 31.6 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | cis | -149.6 | 166.2 | 24.8 | 44.7 | -24.5 | 0 | 0 | 0 | 119.7 | ||||
| 349 | R | 25.7 | Very low | 30.6 | Very low | 232 Ų | 232 | 132 Ų | 132 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | trans | 46.2 | 113.3 | 132.7 | -168.5 | -174.7 | -160.2 | 151 | 5.9 | 122 | ||||
| 350 | A | 26.4 | Very low | 29.8 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -152.2 | 112.6 | 138.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 351 | V | 28.8 | Very low | 29.2 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | 74.9 | 128.8 | 84.6 | 173.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 352 | A | 31.9 | Very low | 28.5 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -129.1 | 130.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 353 | L | 27.3 | Very low | 27.9 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | -170.3 | 131.2 | 160.4 | -116.7 | 89.1 | 0 | 0 | 0 | 103.8 | ||||
| 354 | A | 26.4 | Very low | 27.2 | Very low | 95 Ų | 95 | 127.5 Ų | 127.5 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | cis | 92.4 | 106.7 | 45.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 355 | G | 26 | Very low | 27 | Very low | 79 Ų | 79 | 125.1 Ų | 125.1 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 104.7 | 151.7 | 168 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 356 | K | 26.6 | Very low | 26.7 | Very low | 192 Ų | 192 | 125.2 Ų | 125.2 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | cis | -169.7 | 140.9 | -10.8 | -150.7 | -172.5 | -178.9 | -175.7 | 0 | 112.1 | ||||
| 357 | T | 27 | Very low | 26.6 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 69% | 0.687 | 80% | 0.795 | S | S | * | * | trans | 67.2 | 154 | 158 | 15.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 358 | T | 25.9 | Very low | 26.4 | Very low | 104 Ų | 104 | 125 Ų | 125 | 64% | 0.638 | 80% | 0.8 | S | S | * | * | cis | -149.9 | 134.3 | 13.2 | -35.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 359 | E | 25.4 | Very low | 25.7 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | 42.1 | 156.5 | 149.3 | -67.5 | 145.7 | -140.5 | 0 | 0 | 122.5 | ||||
| 360 | S | 24.8 | Very low | 25.6 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | cis | -148.4 | 176.2 | 25.8 | -162.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 361 | S | 24 | Very low | 25.5 | Very low | 119 Ų | 119 | 130 Ų | 130 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -57 | 162.1 | -173.2 | -60.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 362 | G | 24.8 | Very low | 25.2 | Very low | 72 Ų | 72 | 129.9 Ų | 129.9 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | cis | 153.7 | -154.5 | -4.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 363 | S | 23.7 | Very low | 24.9 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 75.2 | 117.2 | -179.9 | -157.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 364 | C | 22.2 | Very low | 24.8 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 90% | 0.899 | 81% | 0.805 | S | S | * | * | trans | -100.3 | 147.1 | 160.5 | -57.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 365 | Q | 24.7 | Very low | 24.8 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -140.1 | 117.1 | 166.3 | -156 | 164.3 | 30.4 | 0 | 0 | 110.1 | ||||
| 366 | G | 23.4 | Very low | 24.7 | Very low | 76 Ų | 76 | 137.6 Ų | 137.6 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | -101.4 | 146.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 367 | A | 24.7 | Very low | 24.7 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -146.1 | 127.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 368 | S | 22.5 | Very low | 24.8 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -97.5 | 137.3 | 166.1 | -60.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 369 | Y | 27.7 | Very low | 24.7 | Very low | 205 Ų | 205 | 135.4 Ų | 135.4 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -153.6 | 118 | 149.2 | 58.9 | -84.9 | 0 | 0 | 0 | 105.6 | ||||
| 370 | E | 23.2 | Very low | 25.1 | Very low | 184 Ų | 184 | 133.1 Ų | 133.1 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | 86.4 | 125.8 | 64.2 | -170.1 | 166.5 | -138.2 | 0 | 0 | 111.9 | |||||
| 371 | L | 24.2 | Very low | 25 | Very low | 150 Ų | 150 | 137 Ų | 137 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | -103.2 | 104.1 | -166.1 | 178.7 | 77 | 0 | 0 | 0 | 110.3 | I373 | L371-I373 HydrophobicContact CD2-CD1 4.46Å; L371-I373 HydrophobicContact CD2-CG1 4.49Å; L371-I373 HydrophobicContact CG-CG1 4.49Å; L371-I373 PolarHBondContact O-N 3.01Å | ||
| 372 | T | 23.5 | Very low | 25.1 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 82% | 0.816 | 82% | 0.821 | S | S | * | * | trans | -87.3 | 111.3 | 176.9 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 373 | I | 25.9 | Very low | 25.2 | Very low | 143 Ų | 143 | 143 Ų | 143 | 73% | 0.733 | 82% | 0.824 | S | S | * | * | trans | -94.6 | 115.9 | 169.7 | -64 | 177.7 | 0 | 0 | 0 | 109.6 | L371 | L371-I373 HydrophobicContact CD2-CD1 4.46Å; L371-I373 HydrophobicContact CD2-CG1 4.49Å; L371-I373 HydrophobicContact CG-CG1 4.49Å; L371-I373 PolarHBondContact O-N 3.01Å | ||
| 374 | L | 24.3 | Very low | 25.4 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -155.2 | 105.3 | 155.4 | -161.3 | 65.4 | 0 | 0 | 0 | 111.7 | ||||
| 375 | G | 25.4 | Very low | 26.2 | Very low | 73 Ų | 73 | 142 Ų | 142 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -164.5 | 129.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 376 | K | 24.7 | Very low | 26.5 | Very low | 204 Ų | 204 | 141.9 Ų | 141.9 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 135.1 | -163.4 | -165.4 | 176.7 | -177.4 | -178.8 | 0 | 111.6 | ||
| 377 | P | 26.8 | Very low | 26.7 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 69% | 0.688 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 148.6 | 179.6 | 32.4 | -35.2 | 0 | 0 | 0 | 112.4 | ||
| 378 | P | 29.1 | Very low | 26.8 | Very low | 129 Ų | 129 | 142 Ų | 142 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 149 | 165.8 | 32.9 | -33 | 0 | 0 | 0 | 111.6 | ||
| 379 | T | 23.7 | Very low | 27.3 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -107.2 | 144.2 | 176.7 | -61.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 380 | P | 33.6 | Very low | 27.3 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -72.5 | 143.5 | -171.8 | 28.7 | -36.5 | 0 | 0 | 0 | 113.3 | ||||
| 381 | E | 23.2 | Very low | 27.5 | Very low | 192 Ų | 192 | 132.6 Ų | 132.6 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -118.5 | 169 | 173.2 | -146.5 | 170 | 174.5 | 0 | 0 | 111.2 | ||||
| 382 | Q | 25.7 | Very low | 27.7 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 159.4 | -149.7 | -61.4 | 175.7 | 8.5 | 0 | 0 | 114.9 | ||
| 383 | V | 26.1 | Very low | 28.1 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -86 | 134.3 | -179.7 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 384 | P | 29.2 | Very low | 28.3 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 143 | 150.5 | -5.5 | 25.7 | 0 | 0 | 0 | 111.2 | ||
| 385 | P | 39.2 | Very low | 28.7 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 75% | 0.747 | 74% | 0.735 | S | S | * | * | trans | -92.8 | -179.7 | -175.3 | 37.7 | -37.3 | 0 | 0 | 0 | 114.9 | ||||
| 386 | E | 30.1 | Very low | 28.9 | Very low | 189 Ų | 189 | 124.5 Ų | 124.5 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | trans | 80.1 | 76.8 | 164 | -54.9 | -158.3 | 159.5 | 0 | 0 | 120.2 | ||||
| 387 | A | 28.1 | Very low | 29.4 | Very low | 109 Ų | 109 | 119.8 Ų | 119.8 | 90% | 0.901 | 71% | 0.713 | S | S | * | * | trans | -162.3 | 145.2 | 130.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 388 | G | 27.1 | Very low | 29.8 | Very low | 62 Ų | 62 | 118.3 Ų | 118.3 | 64% | 0.639 | 71% | 0.705 | S | S | * | * | cis | 170.4 | 51.2 | 0.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G390 | G388-G390 PolarHBondContact O-N 3.17Š| ||
| 389 | L | 32.1 | Very low | 30.1 | Very low | 166 Ų | 166 | 116.7 Ų | 116.7 | 87% | 0.869 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 58.2 | -17.3 | 173.3 | -155.9 | 62.3 | 0 | 0 | 0 | 119.2 | ||
| 390 | G | 28.3 | Very low | 30.7 | Very low | 53 Ų | 53 | 114.8 Ų | 114.8 | 55% | 0.546 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -75.3 | -26.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | G388 | G388-G390 PolarHBondContact O-N 3.17Š|
| 391 | T | 27.4 | Very low | 31.1 | Very low | 102 Ų | 102 | 111.9 Ų | 111.9 | 63% | 0.626 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -77.9 | -26.9 | -167.4 | -40.6 | 0 | 0 | 0 | 0 | 114.3 | V395 | T391-V395 HydrophobicContact CG2-CG2 4.35Å; T391-V395 WeakPolarHBondContact O-CB 3.42Å; T391-V395 VanDerWaalsContact O-CG2 3.28Å; T391-V395 WeakPolarHBondContact O-CG2 3.49Å; T391-V395 PolarHBondContact O-N 2.87Å; T391-V395 VanDerWaalsContact O-N 3.13Å |
| 392 | Q | 27.8 | Very low | 32.2 | Very low | 153 Ų | 153 | 108 Ų | 108 | 72% | 0.715 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.9 | -43.1 | -178.6 | -71.7 | -171.1 | 9.2 | 0 | 0 | 111.8 | A394 V395 E396 | Q392-A394 PolarHBondContact O-N 2.98Å; Q392-V395 PolarHBondContact O-N 3.25Å; Q392-V395 VanDerWaalsContact O-N 3.13Å; Q392-E396 PolarHBondContact O-N 3.22Å |
| 393 | V | 32 | Very low | 33.5 | Very low | 89 Ų | 89 | 99.9 Ų | 99.9 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.3 | -47.4 | 178.8 | -175 | 0 | 0 | 0 | 0 | 111.2 | V395 E396 D397 | V393-V395 VanDerWaalsContact C-N 3.27Å; V393-V395 PolarHBondContact O-N 3.14Å; V393-E396 PolarHBondContact O-N 3.44Å; V393-E396 VanDerWaalsContact O-N 3.09Å; V393-D397 PolarHBondContact O-N 3.05Å |
| 394 | A | 29.8 | Very low | 34.7 | Very low | 53 Ų | 53 | 95.4 Ų | 95.4 | 44% | 0.438 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.7 | -28.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q392 S398 | Q392-A394 PolarHBondContact O-N 2.98Å; A394-S398 WeakPolarHBondContact O-CB 3.3Å; A394-S398 PolarHBondContact O-N 3.23Å; A394-S398 VanDerWaalsContact O-N 3.09Å; A394-S398 PolarHBondContact O-OG 3.13Å |
| 395 | V | 32.3 | Very low | 35.4 | Very low | 79 Ų | 79 | 95.4 Ų | 95.4 | 48% | 0.479 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -76.3 | -32.3 | 173.2 | 168.6 | 0 | 0 | 0 | 0 | 111.7 | T391 Q392 V393 S398 L399 | T391-V395 HydrophobicContact CG2-CG2 4.35Å; T391-V395 WeakPolarHBondContact O-CB 3.42Å; T391-V395 VanDerWaalsContact O-CG2 3.28Å; T391-V395 WeakPolarHBondContact O-CG2 3.49Å; T391-V395 PolarHBondContact O-N 2.87Å; T391-V395 VanDerWaalsContact O-N 3.13Å; Q392-V395 PolarHBondContact O-N 3.25Å; Q392-V395 VanDerWaalsContact O-N 3.13Å; V393-V395 VanDerWaalsContact C-N 3.27Å; V393-V395 PolarHBondContact O-N 3.14Å; V395-S398 CarbonylContact O-C 3.53Å; V395-S398 PolarHBondContact O-N 3.43Å; V395-L399 WeakPolarHBondContact O-CG 3.29Å; V395-L399 PolarHBondContact O-N 3.32Å |
| 396 | E | 30.8 | Very low | 35.8 | Very low | 130 Ų | 130 | 94.9 Ų | 94.9 | 61% | 0.607 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.6 | -41.2 | 172.3 | -70.8 | -171.6 | 128.9 | 0 | 0 | 112.3 | Q392 V393 S398 L399 L400 | Q392-E396 PolarHBondContact O-N 3.22Å; V393-E396 PolarHBondContact O-N 3.44Å; V393-E396 VanDerWaalsContact O-N 3.09Å; E396-S398 VanDerWaalsContact C-N 3.26Å; E396-S398 PolarHBondContact O-N 3.43Å; E396-L399 WeakPolarHBondContact O-CB 3.29Å; E396-L399 PolarHBondContact O-N 2.89Å; E396-L400 PolarHBondContact O-N 2.99Å |
| 397 | D | 35.3 | Very low | 36.7 | Very low | 106 Ų | 106 | 89.8 Ų | 89.8 | 57% | 0.567 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.5 | -39.2 | 169.7 | -74.9 | -40.3 | 0 | 0 | 0 | 111.4 | V393 L399 L400 | V393-D397 PolarHBondContact O-N 3.05Å; D397-L399 PolarHBondContact O-N 3.26Å; D397-L400 PolarHBondContact O-N 2.91Å |
| 398 | S | 35.7 | Very low | 37.5 | Very low | 75 Ų | 75 | 86.2 Ų | 86.2 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.9 | -7.6 | 174.4 | -56.3 | 0 | 0 | 0 | 0 | 114.5 | A394 V395 E396 S401 | A394-S398 WeakPolarHBondContact O-CB 3.3Å; A394-S398 PolarHBondContact O-N 3.23Å; A394-S398 VanDerWaalsContact O-N 3.09Å; A394-S398 PolarHBondContact O-OG 3.13Å; V395-S398 CarbonylContact O-C 3.53Å; V395-S398 PolarHBondContact O-N 3.43Å; E396-S398 VanDerWaalsContact C-N 3.26Å; E396-S398 PolarHBondContact O-N 3.43Å; S398-S401 PolarHBondContact O-OG 3.43Å; S398-S401 VanDerWaalsContact O-OG 3.13Å |
| 399 | L | 33.9 | Very low | 38.3 | Very low | 95 Ų | 95 | 86.6 Ų | 86.6 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -89.2 | -17.2 | 170.6 | -78.7 | 165.4 | 0 | 0 | 0 | 112.2 | V395 E396 D397 | V395-L399 WeakPolarHBondContact O-CG 3.29Å; V395-L399 PolarHBondContact O-N 3.32Å; E396-L399 WeakPolarHBondContact O-CB 3.29Å; E396-L399 PolarHBondContact O-N 2.89Å; D397-L399 PolarHBondContact O-N 3.26Å |
| 400 | L | 37.6 | Very low | 38.9 | Very low | 88 Ų | 88 | 81.3 Ų | 81.3 | 46% | 0.461 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -84.8 | -23.5 | 176.1 | -68.9 | 172.2 | 0 | 0 | 0 | 113.2 | E396 D397 H402 H403 | E396-L400 PolarHBondContact O-N 2.99Å; D397-L400 PolarHBondContact O-N 2.91Å; L400-H402 PolarHBondContact O-N 3.16Å; L400-H402 VanDerWaalsContact O-N 3.12Å; L400-H403 PolarHBondContact O-CE1 2.92Å; L400-H403 PolarHBondContact O-ND1 3.38Å; L400-H403 VanDerWaalsContact O-ND1 3.13Å |
| 401 | S | 40.6 | Very low | 39.6 | Very low | 64 Ų | 64 | 81.2 Ų | 81.2 | 45% | 0.448 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -68.1 | -6.6 | -179.3 | 57.1 | 0 | 0 | 0 | 0 | 115.5 | S398 | S398-S401 PolarHBondContact O-OG 3.43Å; S398-S401 VanDerWaalsContact O-OG 3.13Å |
| 402 | H | 47.1 | Very low | 40.3 | Very low | 109 Ų | 109 | 78.3 Ų | 78.3 | 51% | 0.505 | 42% | 0.416 | S | S | . | . | trans | -132.4 | 65.8 | -175.3 | -60.5 | -63.6 | 0 | 0 | 0 | 112.1 | L400 H404 W405 L406 | L400-H402 PolarHBondContact O-N 3.16Å; L400-H402 VanDerWaalsContact O-N 3.12Å; H402-H404 VanDerWaalsContact C-N 3.32Å; H402-H404 PolarHBondContact O-N 3.39Å; H402-W405 HydrophobicContact CB-CB 3.88Å; H402-W405 WeakPolarHBondContact O-CA 3.44Å; H402-W405 VanDerWaalsContact O-CB 3.23Å; H402-W405 WeakPolarHBondContact O-CB 3.32Å; H402-W405 PolarHBondContact O-N 3.04Å; H402-L406 PolarHBondContact O-N 3.16Å | ||
| 403 | H | 53.4 | Low | 41 | Very low | 15 Ų | 15 | 77.8 Ų | 77.8 | 7% | 0.069 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.7 | -34.5 | -177.6 | -67.8 | -29.4 | 0 | 0 | 0 | 115.1 | W56 A59 L400 W405 L406 W407 | W56-H403 VanDerWaalsContact CA-CD2 3.45Å; W56-H403 WeakPolarHBondContact CA-CD2 3.43Å; W56-H403 AromaticContact CD1-CD2 3.28Å; W56-H403 AromaticContact CD1-CE1 3.99Å; W56-H403 AromaticContact CD1-CG 3.77Å; W56-H403 AromaticContact CD1-NE2 3.41Å; W56-H403 AromaticContact CG-CD2 3.54Å; A59-H403 VanDerWaalsContact CB-CD2 3.47Å; A59-H403 WeakPolarHBondContact CB-CD2 3.44Å; A59-H403 WeakPolarHBondContact CB-NE2 3.41Å; L400-H403 PolarHBondContact O-CE1 2.92Å; L400-H403 PolarHBondContact O-ND1 3.38Å; L400-H403 VanDerWaalsContact O-ND1 3.13Å; H403-W405 PolarHBondContact O-N 2.93Å; H403-L406 WeakPolarHBondContact O-CA 3.44Å; H403-L406 VanDerWaalsContact O-CB 3.28Å; H403-L406 WeakPolarHBondContact O-CB 3.34Å; H403-L406 PolarHBondContact O-N 3.2Å; H403-W407 PolarHBondContact O-N 2.89Å |
| 404 | H | 50.2 | Low | 41.7 | Very low | 38 Ų | 38 | 76 Ų | 76 | 18% | 0.176 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.7 | -37.6 | 169.9 | -62 | -42.3 | 0 | 0 | 0 | 111.8 | L104 D108 H402 L406 V408 | L104-H404 HydrophobicContact CD1-CB 4.05Å; L104-H404 HydrophobicContact CD2-CB 4.2Å; L104-H404 PolarHBondContact O-CE1 3.18Å; D108-H404 IonicContact OD1-CE1 2.73Å; D108-H404 PolarHBondContact OD1-CE1 2.88Å; D108-H404 IonicContact OD1-ND1 3.62Å; D108-H404 PolarHBondContact OD1-ND1 3.24Å; D108-H404 IonicContact OD2-CE1 3.74Å; D108-H404 PolarHBondContact OD2-CE1 3.15Å; D108-H404 IonicContact OD2-ND1 3.49Å; D108-H404 PolarHBondContact OD2-ND1 3.15Å; D108-H404 VanDerWaalsContact OD2-ND1 3.13Å; H402-H404 VanDerWaalsContact C-N 3.32Å; H402-H404 PolarHBondContact O-N 3.39Å; H404-L406 PolarHBondContact O-N 2.82Å; H404-V408 WeakPolarHBondContact O-CB 3.47Å; H404-V408 WeakPolarHBondContact O-CG2 3.46Å; H404-V408 PolarHBondContact O-N 3.4Å |
| 405 | W | 44.9 | Very low | 42.2 | Very low | 113 Ų | 113 | 76.6 Ų | 76.6 | 43% | 0.428 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.8 | -23.6 | 173 | -170 | -164.7 | 0 | 0 | 0 | 111.4 | H402 H403 V408 K409 L412 | H402-W405 HydrophobicContact CB-CB 3.88Å; H402-W405 WeakPolarHBondContact O-CA 3.44Å; H402-W405 VanDerWaalsContact O-CB 3.23Å; H402-W405 WeakPolarHBondContact O-CB 3.32Å; H402-W405 PolarHBondContact O-N 3.04Å; H403-W405 PolarHBondContact O-N 2.93Å; W405-V408 HydrophobicContact CE3-CB 4.12Å; W405-V408 HydrophobicContact CE3-CG1 3.92Å; W405-V408 HydrophobicContact CZ3-CG1 4.08Å; W405-K409 HydrophobicContact CD2-CB 4.07Å; W405-K409 HydrophobicContact CD2-CD 4.29Å; W405-K409 HydrophobicContact CE3-CB 3.54Å; W405-K409 HydrophobicContact CE3-CG 4.23Å; W405-K409 HydrophobicContact CH2-CB 4.05Å; W405-K409 HydrophobicContact CH2-CD 4.31Å; W405-K409 HydrophobicContact CH2-CG 3.89Å; W405-K409 HydrophobicContact CZ2-CD 4.12Å; W405-K409 VanDerWaalsContact CZ2-CE 3.45Å; W405-K409 HydrophobicContact CZ2-CG 4.23Å; W405-K409 VanDerWaalsContact CZ3-CA 3.49Å; W405-K409 HydrophobicContact CZ3-CB 3.51Å; W405-K409 HydrophobicContact CZ3-CD 4.49Å; W405-K409 HydrophobicContact CZ3-CG 3.89Å; W405-K409 WeakPolarHBondContact O-CA 3.49Å; W405-K409 WeakPolarHBondContact O-CB 3.45Å; W405-K409 PolarHBondContact O-N 2.72Å; W405-L412 HydrophobicContact CZ3-CB 4.46Å; W405-L412 HydrophobicContact CZ3-CD1 4.12Å |
| 406 | L | 47.1 | Very low | 42.6 | Very low | 104 Ų | 104 | 77.1 Ų | 77.1 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.9 | -51.8 | 175.6 | -165.4 | 74.5 | 0 | 0 | 0 | 111.9 | H402 H403 H404 K409 L410 | H402-L406 PolarHBondContact O-N 3.16Å; H403-L406 WeakPolarHBondContact O-CA 3.44Å; H403-L406 VanDerWaalsContact O-CB 3.28Å; H403-L406 WeakPolarHBondContact O-CB 3.34Å; H403-L406 PolarHBondContact O-N 3.2Å; H404-L406 PolarHBondContact O-N 2.82Å; L406-K409 PolarHBondContact O-N 3.11Å; L406-L410 PolarHBondContact O-N 2.95Å |
| 407 | W | 49.4 | Very low | 43.2 | Very low | 83 Ų | 83 | 75.9 Ų | 75.9 | 31% | 0.314 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -71.5 | -38.2 | 177.9 | -75.2 | 105.2 | 0 | 0 | 0 | 112.7 | W56 H403 K409 L410 A411 | W56-W407 AromaticContact CH2-CD1 3.86Å; W56-W407 AromaticContact CH2-NE1 3.16Å; W56-W407 AromaticContact CZ2-NE1 3.32Å; W56-W407 VanDerWaalsContact CZ2-NE1 3.32Å; H403-W407 PolarHBondContact O-N 2.89Å; W407-K409 VanDerWaalsContact C-N 3.3Å; W407-K409 PolarHBondContact O-N 2.86Å; W407-L410 HydrophobicContact CE3-CB 4.48Å; W407-L410 HydrophobicContact CE3-CD2 3.76Å; W407-L410 HydrophobicContact CH2-CD2 4.42Å; W407-L410 HydrophobicContact CZ3-CD2 3.55Å; W407-L410 WeakPolarHBondContact O-CB 3.46Å; W407-L410 PolarHBondContact O-N 3.46Å; W407-A411 WeakPolarHBondContact O-CB 3.37Å; W407-A411 PolarHBondContact O-N 2.85Å |
| 408 | V | 45.3 | Very low | 43.6 | Very low | 34 Ų | 34 | 74.6 Ų | 74.6 | 21% | 0.206 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 171.6 | 172.2 | 0 | 0 | 0 | 0 | 109.9 | M167 H404 W405 A411 L412 | M167-V408 HydrophobicContact CE-CG2 3.99Å; H404-V408 WeakPolarHBondContact O-CB 3.47Å; H404-V408 WeakPolarHBondContact O-CG2 3.46Å; H404-V408 PolarHBondContact O-N 3.4Å; W405-V408 HydrophobicContact CE3-CB 4.12Å; W405-V408 HydrophobicContact CE3-CG1 3.92Å; W405-V408 HydrophobicContact CZ3-CG1 4.08Å; V408-A411 CarbonylContact O-C 3.47Å; V408-A411 PolarHBondContact O-N 3.18Å; V408-L412 HydrophobicContact CG1-CD1 3.36Å; V408-L412 HydrophobicContact CG1-CG 3.72Å; V408-L412 WeakPolarHBondContact O-CA 3.33Å; V408-L412 WeakPolarHBondContact O-CB 3.33Å; V408-L412 WeakPolarHBondContact O-CG 3.37Å; V408-L412 PolarHBondContact O-N 3.38Å |
| 409 | K | 42.7 | Very low | 43.9 | Very low | 70 Ų | 70 | 78.7 Ų | 78.7 | 30% | 0.304 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.4 | -31.3 | 174.2 | -160.6 | 171.9 | -133.2 | 157.2 | 0 | 112.3 | W405 L406 W407 A411 K413 | W405-K409 HydrophobicContact CD2-CB 4.07Å; W405-K409 HydrophobicContact CD2-CD 4.29Å; W405-K409 HydrophobicContact CE3-CB 3.54Å; W405-K409 HydrophobicContact CE3-CG 4.23Å; W405-K409 HydrophobicContact CH2-CB 4.05Å; W405-K409 HydrophobicContact CH2-CD 4.31Å; W405-K409 HydrophobicContact CH2-CG 3.89Å; W405-K409 HydrophobicContact CZ2-CD 4.12Å; W405-K409 VanDerWaalsContact CZ2-CE 3.45Å; W405-K409 HydrophobicContact CZ2-CG 4.23Å; W405-K409 VanDerWaalsContact CZ3-CA 3.49Å; W405-K409 HydrophobicContact CZ3-CB 3.51Å; W405-K409 HydrophobicContact CZ3-CD 4.49Å; W405-K409 HydrophobicContact CZ3-CG 3.89Å; W405-K409 WeakPolarHBondContact O-CA 3.49Å; W405-K409 WeakPolarHBondContact O-CB 3.45Å; W405-K409 PolarHBondContact O-N 2.72Å; L406-K409 PolarHBondContact O-N 3.11Å; W407-K409 VanDerWaalsContact C-N 3.3Å; W407-K409 PolarHBondContact O-N 2.86Å; K409-A411 VanDerWaalsContact C-N 3.32Å; K409-K413 WeakPolarHBondContact O-CA 3.13Å; K409-K413 WeakPolarHBondContact O-CB 3.29Å; K409-K413 PolarHBondContact O-N 3.39Å |
| 410 | L | 46.1 | Very low | 44.5 | Very low | 55 Ų | 55 | 75.7 Ų | 75.7 | 29% | 0.288 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.3 | -36.8 | 171.2 | -144.8 | 74.7 | 0 | 0 | 0 | 111.7 | W237 F240 L406 W407 T414 | W237-L410 HydrophobicContact CH2-CD1 4.19Å; W237-L410 HydrophobicContact CZ3-CD1 4.31Å; F240-L410 HydrophobicContact CD2-CD2 4.35Å; F240-L410 HydrophobicContact CE2-CD2 3.7Å; F240-L410 HydrophobicContact CZ-CD2 4Å; L406-L410 PolarHBondContact O-N 2.95Å; W407-L410 HydrophobicContact CE3-CB 4.48Å; W407-L410 HydrophobicContact CE3-CD2 3.76Å; W407-L410 HydrophobicContact CH2-CD2 4.42Å; W407-L410 HydrophobicContact CZ3-CD2 3.55Å; W407-L410 WeakPolarHBondContact O-CB 3.46Å; W407-L410 PolarHBondContact O-N 3.46Å; L410-T414 VanDerWaalsContact O-CG2 3.26Å; L410-T414 WeakPolarHBondContact O-CG2 3.38Å |
| 411 | A | 42.4 | Very low | 44.8 | Very low | 50 Ų | 50 | 76.3 Ų | 76.3 | 41% | 0.413 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -85.3 | -24.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | W407 V408 K409 T414 | W407-A411 WeakPolarHBondContact O-CB 3.37Å; W407-A411 PolarHBondContact O-N 2.85Å; V408-A411 CarbonylContact O-C 3.47Å; V408-A411 PolarHBondContact O-N 3.18Å; K409-A411 VanDerWaalsContact C-N 3.32Å; A411-T414 VanDerWaalsContact C-CG2 3.43Å; A411-T414 WeakPolarHBondContact O-CB 3.42Å; A411-T414 WeakPolarHBondContact O-CG2 3.33Å; A411-T414 PolarHBondContact O-OG1 3.46Å |
| 412 | L | 41.1 | Very low | 45.2 | Very low | 42 Ų | 42 | 77.5 Ų | 77.5 | 22% | 0.22 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -98.8 | -26.2 | -177.8 | -69.1 | -167.9 | 0 | 0 | 0 | 113.5 | W405 V408 T414 I420 F424 | W405-L412 HydrophobicContact CZ3-CB 4.46Å; W405-L412 HydrophobicContact CZ3-CD1 4.12Å; V408-L412 HydrophobicContact CG1-CD1 3.36Å; V408-L412 HydrophobicContact CG1-CG 3.72Å; V408-L412 WeakPolarHBondContact O-CA 3.33Å; V408-L412 WeakPolarHBondContact O-CB 3.33Å; V408-L412 WeakPolarHBondContact O-CG 3.37Å; V408-L412 PolarHBondContact O-N 3.38Å; L412-T414 PolarHBondContact O-N 3.34Å; L412-I420 HydrophobicContact CB-CD1 3.7Å; L412-I420 HydrophobicContact CD1-CD1 4.34Å; L412-I420 HydrophobicContact CD1-CG2 3.74Å; L412-I420 HydrophobicContact CD2-CD1 3.74Å; L412-I420 HydrophobicContact CD2-CG1 3.91Å; L412-I420 HydrophobicContact CD2-CG2 4.14Å; L412-I420 HydrophobicContact CG-CD1 4.11Å; L412-I420 HydrophobicContact CG-CG2 4.49Å; L412-I420 WeakPolarHBondContact O-CD1 3.5Å; L412-F424 HydrophobicContact CD2-CE2 4.49Å |
| 413 | K | 43.4 | Very low | 44.8 | Very low | 142 Ų | 142 | 74.5 Ų | 74.5 | 62% | 0.617 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 28.1 | 171.8 | -155.6 | 172.7 | -177.3 | -179.3 | 0 | 111.8 | K409 | K409-K413 WeakPolarHBondContact O-CA 3.13Å; K409-K413 WeakPolarHBondContact O-CB 3.29Å; K409-K413 PolarHBondContact O-N 3.39Å |
| 414 | T | 45.6 | Very low | 44.2 | Very low | 52 Ų | 52 | 78.9 Ų | 78.9 | 32% | 0.319 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 0.6 | -175.7 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | W256 L410 A411 L412 | W256-T414 HydrophobicContact CE3-CG2 3.75Å; W256-T414 HydrophobicContact CZ3-CG2 3.73Å; L410-T414 VanDerWaalsContact O-CG2 3.26Å; L410-T414 WeakPolarHBondContact O-CG2 3.38Å; A411-T414 VanDerWaalsContact C-CG2 3.43Å; A411-T414 WeakPolarHBondContact O-CB 3.42Å; A411-T414 WeakPolarHBondContact O-CG2 3.33Å; A411-T414 PolarHBondContact O-OG1 3.46Å; L412-T414 PolarHBondContact O-N 3.34Å |
| 415 | G | 40.4 | Very low | 43.4 | Very low | 65 Ų | 65 | 78.9 Ų | 78.9 | 67% | 0.67 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 145.2 | -6.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 416 | N | 40.5 | Very low | 42.9 | Very low | 89 Ų | 89 | 81.6 Ų | 81.6 | 48% | 0.476 | 47% | 0.469 | S | S | . | . | trans | -158 | 113.1 | 172.5 | -150.3 | -49.6 | 0 | 0 | 0 | 115.5 | S418 I420 | N416-S418 VanDerWaalsContact C-N 3.33Å; N416-S418 PolarHBondContact O-N 3.49Å; N416-S418 WeakPolarHBondContact OD1-CB 3.36Å; N416-S418 PolarHBondContact OD1-N 2.9Å; N416-S418 VanDerWaalsContact OD1-N 3.08Å; N416-S418 PolarHBondContact OD1-OG 2.97Å; N416-I420 WeakPolarHBondContact O-CD1 3.48Å; N416-I420 WeakPolarHBondContact O-CG1 3.29Å | ||
| 417 | V | 44.7 | Very low | 42.3 | Very low | 105 Ų | 105 | 81 Ų | 81 | 64% | 0.636 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -66.6 | -30.3 | 178.8 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | K419 I420 N421 | V417-K419 PolarHBondContact O-N 3.32Å; V417-I420 WeakPolarHBondContact O-CB 3.12Å; V417-I420 PolarHBondContact O-N 3.42Å; V417-N421 PolarHBondContact O-N 3.38Å |
| 418 | S | 42.8 | Very low | 41.4 | Very low | 79 Ų | 79 | 80 Ų | 80 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.6 | -38.5 | -177.6 | 64 | 0 | 0 | 0 | 0 | 113.3 | N416 I420 A422 | N416-S418 VanDerWaalsContact C-N 3.33Å; N416-S418 PolarHBondContact O-N 3.49Å; N416-S418 WeakPolarHBondContact OD1-CB 3.36Å; N416-S418 PolarHBondContact OD1-N 2.9Å; N416-S418 VanDerWaalsContact OD1-N 3.08Å; N416-S418 PolarHBondContact OD1-OG 2.97Å; S418-I420 PolarHBondContact O-N 2.97Å; S418-A422 WeakPolarHBondContact O-CB 3.32Å; S418-A422 PolarHBondContact O-N 3.14Å |
| 419 | K | 42.7 | Very low | 40.7 | Very low | 160 Ų | 160 | 84.7 Ų | 84.7 | 70% | 0.696 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.6 | -20.5 | 174.4 | -80 | -175.9 | 173.9 | 176.8 | 0 | 113.4 | V417 A423 | V417-K419 PolarHBondContact O-N 3.32Å; K419-A423 VanDerWaalsContact O-CB 3.3Å; K419-A423 WeakPolarHBondContact O-CB 3.31Å; K419-A423 PolarHBondContact O-N 2.99Å |
| 420 | I | 47.3 | Very low | 40.4 | Very low | 33 Ų | 33 | 86.5 Ų | 86.5 | 17% | 0.169 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -84.2 | -49 | -175.1 | -64 | 170.1 | 0 | 0 | 0 | 109.4 | L412 N416 V417 S418 A422 A423 F424 | L412-I420 HydrophobicContact CB-CD1 3.7Å; L412-I420 HydrophobicContact CD1-CD1 4.34Å; L412-I420 HydrophobicContact CD1-CG2 3.74Å; L412-I420 HydrophobicContact CD2-CD1 3.74Å; L412-I420 HydrophobicContact CD2-CG1 3.91Å; L412-I420 HydrophobicContact CD2-CG2 4.14Å; L412-I420 HydrophobicContact CG-CD1 4.11Å; L412-I420 HydrophobicContact CG-CG2 4.49Å; L412-I420 WeakPolarHBondContact O-CD1 3.5Å; N416-I420 WeakPolarHBondContact O-CD1 3.48Å; N416-I420 WeakPolarHBondContact O-CG1 3.29Å; V417-I420 WeakPolarHBondContact O-CB 3.12Å; V417-I420 PolarHBondContact O-N 3.42Å; S418-I420 PolarHBondContact O-N 2.97Å; I420-A422 PolarHBondContact O-N 3.49Å; I420-A423 PolarHBondContact O-N 2.9Å; I420-F424 HydrophobicContact CG2-CD2 4.01Å; I420-F424 HydrophobicContact CG2-CE2 4.36Å; I420-F424 WeakPolarHBondContact O-CD2 3.4Å; I420-F424 PolarHBondContact O-N 3.26Å |
| 421 | N | 43.3 | Very low | 39.3 | Very low | 100 Ų | 100 | 93.3 Ų | 93.3 | 54% | 0.535 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.9 | -36.8 | 171.8 | -68.2 | 28.3 | 0 | 0 | 0 | 110.8 | V417 A423 G425 | V417-N421 PolarHBondContact O-N 3.38Å; N421-A423 VanDerWaalsContact C-N 3.28Å; N421-A423 PolarHBondContact O-N 3.4Å; N421-G425 VanDerWaalsContact O-CA 3.29Å; N421-G425 WeakPolarHBondContact O-CA 3.4Å; N421-G425 PolarHBondContact O-N 2.77Å |
| 422 | A | 48.7 | Very low | 38.4 | Very low | 89 Ų | 89 | 96.9 Ų | 96.9 | 74% | 0.736 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.1 | -16.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S418 I420 | S418-A422 WeakPolarHBondContact O-CB 3.32Å; S418-A422 PolarHBondContact O-N 3.14Å; I420-A422 PolarHBondContact O-N 3.49Å |
| 423 | A | 37.9 | Very low | 37.7 | Very low | 46 Ų | 46 | 99.9 Ų | 99.9 | 38% | 0.38 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -99.3 | -27.6 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | P169 K419 I420 N421 | P169-A423 HydrophobicContact CG-CB 4.33Å; P169-A423 WeakPolarHBondContact CG-O 3.41Å; K419-A423 VanDerWaalsContact O-CB 3.3Å; K419-A423 WeakPolarHBondContact O-CB 3.31Å; K419-A423 PolarHBondContact O-N 2.99Å; I420-A423 PolarHBondContact O-N 2.9Å; N421-A423 VanDerWaalsContact C-N 3.28Å; N421-A423 PolarHBondContact O-N 3.4Å |
| 424 | F | 40.7 | Very low | 36.9 | Very low | 107 Ų | 107 | 99.2 Ų | 99.2 | 47% | 0.469 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -106.1 | -28.7 | 179.2 | -70.8 | -81.8 | 0 | 0 | 0 | 113.6 | L412 I420 | L412-F424 HydrophobicContact CD2-CE2 4.49Å; I420-F424 HydrophobicContact CG2-CD2 4.01Å; I420-F424 HydrophobicContact CG2-CE2 4.36Å; I420-F424 WeakPolarHBondContact O-CD2 3.4Å; I420-F424 PolarHBondContact O-N 3.26Å |
| 425 | G | 34.7 | Very low | 35.9 | Very low | 38 Ų | 38 | 101.4 Ų | 101.4 | 39% | 0.392 | 63% | 0.632 | S | S | . | * | trans | 67.7 | 169.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | N421 A427 | N421-G425 VanDerWaalsContact O-CA 3.29Å; N421-G425 WeakPolarHBondContact O-CA 3.4Å; N421-G425 PolarHBondContact O-N 2.77Å; G425-A427 PolarHBondContact O-N 2.95Å | ||
| 426 | D | 33.2 | Very low | 35.3 | Very low | 171 Ų | 171 | 110.9 Ų | 110.9 | 91% | 0.914 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -75.1 | 14.2 | 175.3 | -59.6 | -49.4 | 0 | 0 | 0 | 113.2 | ||
| 427 | A | 35.1 | Very low | 34.6 | Very low | 90 Ų | 90 | 110 Ų | 110 | 74% | 0.744 | 66% | 0.659 | S | S | * | * | trans | -119.5 | 39.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G425 P429 | G425-A427 PolarHBondContact O-N 2.95Å; A427-P429 WeakPolarHBondContact O-CD 3.43Å | ||
| 428 | S | 30.5 | Very low | 33.7 | Very low | 63 Ų | 63 | 113.2 Ų | 113.2 | 44% | 0.441 | 67% | 0.672 | S | S | . | * | trans | -80.4 | 118.9 | 171.4 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | V430 | S428-V430 PolarHBondContact O-N 3.31Š| ||
| 429 | P | 31.1 | Very low | 32.9 | Very low | 133 Ų | 133 | 114.7 Ų | 114.7 | 86% | 0.864 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 30 | -174.6 | 34.4 | -38.3 | 0 | 0 | 0 | 113.5 | A427 | A427-P429 WeakPolarHBondContact O-CD 3.43Š|
| 430 | V | 35.4 | Very low | 32.1 | Very low | 108 Ų | 108 | 116 Ų | 116 | 66% | 0.655 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | -5.8 | -169.7 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | S428 | S428-V430 PolarHBondContact O-N 3.31Š|
| 431 | Y | 24.3 | Very low | 31.1 | Very low | 197 Ų | 197 | 123.1 Ų | 123.1 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | trans | -113.9 | 80.3 | 178.7 | -90.6 | -86.2 | 0 | 0 | 0 | 113.4 | ||||
| 432 | C | 23.3 | Very low | 30.3 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | -128.2 | 97.9 | 153.6 | -76.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 433 | P | 26.1 | Very low | 29.1 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | trans | -64.4 | 149.4 | 166.9 | 29.6 | -33.9 | 0 | 0 | 0 | 109.3 | A435 | P433-A435 PolarHBondContact O-N 3.47Å; P433-A435 VanDerWaalsContact O-N 3.14Å | ||
| 434 | P | 26.8 | Very low | 28.8 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | -63.2 | 119.1 | 174.4 | 26.9 | -33.2 | 0 | 0 | 0 | 109.2 | W436 | P434-W436 PolarHBondContact O-N 2.96Š| ||
| 435 | A | 25 | Very low | 28 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -68.6 | 98.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | P433 G437 | P433-A435 PolarHBondContact O-N 3.47Å; P433-A435 VanDerWaalsContact O-N 3.14Å; A435-G437 PolarHBondContact O-N 3.29Å | ||
| 436 | W | 26.9 | Very low | 27.5 | Very low | 264 Ų | 264 | 144.7 Ų | 144.7 | 100% | 1 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 126.7 | 170.9 | -126.6 | -19.7 | 0 | 0 | 0 | 108.2 | P434 | P434-W436 PolarHBondContact O-N 2.96Š|
| 437 | G | 25.8 | Very low | 27.1 | Very low | 69 Ų | 69 | 145 Ų | 145 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 136.6 | -161.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A435 | A435-G437 PolarHBondContact O-N 3.29Š|
| 438 | L | 26.1 | Very low | 26.6 | Very low | 174 Ų | 174 | 145.1 Ų | 145.1 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 130.9 | 157.1 | -146.9 | 78.4 | 0 | 0 | 0 | 107.8 | Q440 | L438-Q440 PolarHBondContact O-N 3.3Š|
| 439 | S | 25.8 | Very low | 26.3 | Very low | 110 Ų | 110 | 150 Ų | 150 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65 | 121.1 | -177.3 | 52.4 | 0 | 0 | 0 | 0 | 111.9 | ||
| 440 | Q | 26.3 | Very low | 26 | Very low | 186 Ų | 186 | 148.4 Ų | 148.4 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 138.3 | 143.2 | -79 | -167.4 | -15.2 | 0 | 0 | 108.8 | L438 | L438-Q440 PolarHBondContact O-N 3.3Š|
| 441 | Q | 26.3 | Very low | 25.4 | Very low | 183 Ų | 183 | 147.9 Ų | 147.9 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -115.5 | 114.7 | -173.8 | 169.3 | -173.3 | -13.7 | 0 | 0 | 106.6 | ||||
| 442 | D | 25.6 | Very low | 25.4 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | trans | -143.9 | 155.1 | 173.7 | -98 | -50.6 | 0 | 0 | 0 | 110.3 | ||||
| 443 | D | 24.4 | Very low | 25.5 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -79.1 | 152.9 | -152.3 | -100.1 | -40.6 | 0 | 0 | 0 | 117.1 | Q445 | D443-Q445 PolarHBondContact O-N 3.34Š| ||
| 444 | P | 30.8 | Very low | 25.4 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | trans | -87.5 | 84.1 | -177.9 | 35.7 | -33.9 | 0 | 0 | 0 | 113 | ||||
| 445 | Q | 24.8 | Very low | 25.2 | Very low | 172 Ų | 172 | 153.7 Ų | 153.7 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -145 | 101.8 | 166.8 | -91.8 | -168.8 | 32.9 | 0 | 0 | 114.4 | D443 | D443-Q445 PolarHBondContact O-N 3.34Š| ||
| 446 | R | 24.3 | Very low | 25.3 | Very low | 235 Ų | 235 | 154.4 Ų | 154.4 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | -179 | 139.3 | 113.8 | -166.9 | 156.8 | -65.4 | 161.5 | 6 | 111 | |||||
| 447 | M | 25 | Very low | 25.2 | Very low | 179 Ų | 179 | 147.1 Ų | 147.1 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -87 | 142.4 | 178.7 | -160.5 | 178 | -159.6 | 0 | 0 | 111.2 | ||||
| 448 | A | 24 | Very low | 25.1 | Very low | 92 Ų | 92 | 150 Ų | 150 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | trans | 55.1 | 126.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 449 | L | 25.2 | Very low | 25 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -159.9 | 138.6 | 138.1 | -114.1 | 169.7 | 0 | 0 | 0 | 112.3 | ||||
| 450 | S | 23 | Very low | 25.1 | Very low | 100 Ų | 100 | 152.8 Ų | 152.8 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | trans | 37.5 | 111.1 | 156 | 58.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 451 | A | 23.8 | Very low | 25 | Very low | 98 Ų | 98 | 151.1 Ų | 151.1 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -87.6 | 131.1 | 141.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 452 | Q | 24.1 | Very low | 25.3 | Very low | 165 Ų | 165 | 148.4 Ų | 148.4 | 77% | 0.771 | 81% | 0.812 | S | S | * | * | trans | -173.3 | 159.7 | 156 | -118.3 | 177.4 | -36.2 | 0 | 0 | 113.9 | ||||
| 453 | Q | 25.1 | Very low | 25.3 | Very low | 177 Ų | 177 | 146.6 Ų | 146.6 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | 93.2 | 85.2 | 176.3 | -63.7 | -177.4 | -20.6 | 0 | 0 | 115 | ||||
| 454 | E | 25.1 | Very low | 25.4 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | 79.9 | 135.2 | 55.8 | -62 | -166.5 | 150.2 | 0 | 0 | 115.1 | |||||
| 455 | L | 21 | Very low | 25.1 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -121.1 | 134.3 | 172.3 | -170 | 73.3 | 0 | 0 | 0 | 107 | S457 | L455-S457 PolarHBondContact O-N 3.2Š| ||
| 456 | P | 28.7 | Very low | 25.2 | Very low | 113 Ų | 113 | 146 Ų | 146 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -78 | 121.4 | -157.4 | 27.2 | -35.3 | 0 | 0 | 0 | 115.7 | ||||
| 457 | S | 23.4 | Very low | 25.3 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 36.8 | 129.4 | 133.4 | 65.9 | 0 | 0 | 0 | 0 | 121.4 | L455 | L455-S457 PolarHBondContact O-N 3.2Š| ||
| 458 | S | 23.6 | Very low | 25.3 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -132.2 | 142.2 | 139.4 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 459 | S | 24.7 | Very low | 25.3 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -126 | 139.5 | -163.3 | 55.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 460 | R | 27.2 | Very low | 25.4 | Very low | 238 Ų | 238 | 133.8 Ų | 133.8 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | -169.8 | 154.1 | 133 | -110.3 | 167.8 | 177.8 | 156.8 | 0.9 | 113.2 | ||||
| 461 | D | 24.8 | Very low | 25.7 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -90.4 | 164.9 | -166.7 | -34.4 | -97.3 | 0 | 0 | 0 | 113.1 | ||||
| 462 | P | 33.5 | Very low | 25.9 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -115.4 | 138.5 | 149.2 | 35.3 | -26.5 | 0 | 0 | 0 | 111.9 | ||||
| 463 | S | 25 | Very low | 26 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -86.7 | 152.9 | 176 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 464 | T | 25.7 | Very low | 26.3 | Very low | 133 Ų | 133 | 135 Ų | 135 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -56.3 | 141.8 | 171.4 | 51.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 465 | L | 25.9 | Very low | 27.6 | Very low | 150 Ų | 150 | 132 Ų | 132 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | -165.1 | 174.6 | 114.7 | -152.3 | 54.1 | 0 | 0 | 0 | 111.7 | |||||
| 466 | E | 26.1 | Very low | 27.9 | Very low | 148 Ų | 148 | 133 Ų | 133 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | -56.9 | 173.3 | 177.6 | -48.8 | 156.5 | 73 | 0 | 0 | 113.9 | ||||
| 467 | N | 26.6 | Very low | 27.9 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | cis | -165.1 | 164.9 | 33.2 | -137 | -43.6 | 0 | 0 | 0 | 115.9 | ||||
| 468 | S | 24 | Very low | 28.2 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | trans | 53.2 | 118.9 | 149.2 | 65 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 469 | S | 25.7 | Very low | 28.5 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | 75.6 | 152.5 | 138 | 84.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 470 | A | 27.2 | Very low | 28.9 | Very low | 77 Ų | 77 | 136 Ų | 136 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | cis | -159.7 | 155.8 | -2.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 471 | F | 28.1 | Very low | 29.9 | Very low | 188 Ų | 188 | 129.8 Ų | 129.8 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | 60.4 | 162 | 165.5 | -77.9 | -110.3 | 0 | 0 | 0 | 117.5 | ||||
| 472 | E | 28.1 | Very low | 30 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | cis | -167.5 | 154.9 | -34.6 | 176.4 | 166.6 | -123.2 | 0 | 0 | 107.8 | ||||
| 473 | G | 27.6 | Very low | 29.8 | Very low | 67 Ų | 67 | 131.6 Ų | 131.6 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | 121.7 | 110.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 474 | V | 30.2 | Very low | 29.9 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | -155.9 | 149 | -177.5 | -168.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 475 | P | 52.8 | Low | 30.1 | Very low | 106 Ų | 106 | 131 Ų | 131 | 69% | 0.688 | 76% | 0.759 | S | S | * | * | cis | -132.1 | -142.6 | -45.5 | 43.8 | -25.5 | 0 | 0 | 0 | 110.5 | ||||
| 476 | K | 27.5 | Very low | 30.2 | Very low | 188 Ų | 188 | 129.4 Ų | 129.4 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | trans | 75.2 | 159.5 | 156.2 | -96.2 | 179.4 | 175.2 | -173.5 | 0 | 117.7 | ||||
| 477 | A | 28.4 | Very low | 30.1 | Very low | 86 Ų | 86 | 132 Ų | 132 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | cis | -143 | -176.9 | 5.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 478 | E | 30 | Very low | 30.3 | Very low | 173 Ų | 173 | 132 Ų | 132 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | trans | -78.4 | 153 | 177.2 | -52.8 | 119 | 106.2 | 0 | 0 | 114.8 | ||||
| 479 | A | 30.1 | Very low | 30.4 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | 177.6 | 141.3 | 131.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 480 | D | 31.6 | Very low | 30.7 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | -91.2 | 177.5 | 169.1 | -95.6 | -40.5 | 0 | 0 | 0 | 111.6 | ||||
| 481 | P | 48.8 | Very low | 30.8 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | cis | -133.5 | -172.7 | -29.1 | 37.2 | -20.1 | 0 | 0 | 0 | 112.2 | ||||
| 482 | L | 27.5 | Very low | 30.9 | Very low | 147 Ų | 147 | 134 Ų | 134 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | 179.5 | 146.4 | 136.5 | -99.6 | 165.5 | 0 | 0 | 0 | 112.8 | ||||
| 483 | E | 28.5 | Very low | 31 | Very low | 168 Ų | 168 | 133 Ų | 133 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 43.4 | 136.6 | 155 | -69.8 | 168.3 | -167.3 | 0 | 0 | 120.6 | ||||
| 484 | T | 28.1 | Very low | 31.1 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | cis | -153.2 | 161.5 | 40.8 | -46.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 485 | S | 30.1 | Very low | 31.1 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -67.3 | 168.2 | 178.1 | 65.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 486 | S | 26.9 | Very low | 30 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | cis | -162 | 168.5 | 39.2 | 55.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 487 | Y | 24.8 | Very low | 30.1 | Very low | 203 Ų | 203 | 142.7 Ų | 142.7 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | trans | -150.1 | 116.4 | -170.5 | -169.5 | -96.3 | 0 | 0 | 0 | 113.4 | ||||
| 488 | I | 30.2 | Very low | 30.2 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 65% | 0.651 | 80% | 0.795 | S | S | * | * | trans | 51.9 | 137.6 | 140.2 | -56.7 | -171.1 | 0 | 0 | 0 | 122.3 | ||||
| 489 | S | 25.2 | Very low | 31 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 105.6 | 143 | 145.3 | -97.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 490 | F | 33.2 | Very low | 30.9 | Very low | 203 Ų | 203 | 139.5 Ų | 139.5 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -62.8 | 158.7 | -177.8 | -56.6 | -101.1 | 0 | 0 | 0 | 118.1 | ||||
| 491 | A | 28.5 | Very low | 30.9 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | -160.4 | 143 | 144.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 492 | S | 29.6 | Very low | 29.9 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | 51.3 | 116.1 | 144.8 | 62.8 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 493 | N | 30.8 | Very low | 30.8 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | 9.7 | 132.4 | 129.5 | -71.4 | -1.6 | 0 | 0 | 0 | 121.5 | |||||
| 494 | Q | 30.1 | Very low | 30.9 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | -174.3 | 154.2 | 95.1 | -102.7 | -177.3 | 83.9 | 0 | 0 | 114.2 | |||||
| 495 | Q | 29.4 | Very low | 31.2 | Very low | 180 Ų | 180 | 136 Ų | 136 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | 25.7 | 137.2 | 157.5 | -64.5 | -179.5 | -11.1 | 0 | 0 | 122 | ||||
| 496 | D | 30.2 | Very low | 31.3 | Very low | 168 Ų | 168 | 137 Ų | 137 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -151.3 | 148.8 | 170.1 | -146.5 | -7 | 0 | 0 | 0 | 111.1 | ||||
| 497 | E | 29.9 | Very low | 31.4 | Very low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -143.2 | 156.3 | 173.3 | -160.1 | 176.7 | -169.5 | 0 | 0 | 111 | ||||
| 498 | A | 31 | Very low | 31.6 | Very low | 87 Ų | 87 | 140.2 Ų | 140.2 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | trans | -75 | -177 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 499 | P | 46.2 | Very low | 31.5 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | cis | -155.5 | 176.6 | 17.2 | 46.6 | -25.4 | 0 | 0 | 0 | 121.3 | ||||
| 500 | S | 28.6 | Very low | 31.7 | Very low | 96 Ų | 96 | 138 Ų | 138 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | 93.9 | 147.8 | 132.7 | 81.1 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 501 | Q | 30.8 | Very low | 31.5 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | 98.6 | 166.3 | 140.1 | -89.2 | -177.9 | 74.9 | 0 | 0 | 123.8 | ||||
| 502 | N | 28.9 | Very low | 32.7 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -105.8 | 164.5 | -150.7 | -63.6 | -55.9 | 0 | 0 | 0 | 114.9 | ||||
| 503 | P | 46.8 | Very low | 32.8 | Very low | 126 Ų | 126 | 139 Ų | 139 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -96.7 | 162.7 | 171.4 | 38.1 | -35 | 0 | 0 | 0 | 114.4 | ||||
| 504 | A | 30.6 | Very low | 32.8 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -155.7 | 148.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 505 | A | 33.7 | Very low | 32.7 | Very low | 87 Ų | 87 | 135.1 Ų | 135.1 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | trans | 67.8 | 106.2 | 144.1 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 506 | T | 32.4 | Very low | 32.8 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | 69.7 | 123.4 | 114.6 | -46.7 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 507 | Q | 28.5 | Very low | 32.8 | Very low | 178 Ų | 178 | 131.4 Ų | 131.4 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 158.7 | 165.9 | 130.8 | -88.3 | -164.8 | 62.6 | 0 | 0 | 111.4 | ||||
| 508 | R | 29.4 | Very low | 32.9 | Very low | 208 Ų | 208 | 126.9 Ų | 126.9 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | cis | -175.9 | 149.9 | -37.1 | -164 | -167.5 | -176 | -161.5 | 2.2 | 108.9 | ||||
| 509 | V | 28.3 | Very low | 32.9 | Very low | 130 Ų | 130 | 129 Ų | 129 | 79% | 0.788 | 78% | 0.777 | S | S | * | * | trans | 69.4 | 147 | 170 | -161.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 510 | G | 28.5 | Very low | 32.3 | Very low | 53 Ų | 53 | 129.2 Ų | 129.2 | 55% | 0.546 | 78% | 0.782 | S | S | . | * | cis | 150.3 | 119.1 | -19.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 511 | T | 30.2 | Very low | 32.3 | Very low | 144 Ų | 144 | 128 Ų | 128 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | 63.4 | 167.4 | 156.6 | 36.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 512 | P | 52.9 | Low | 32.5 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | cis | -133.7 | -168.9 | -13 | 29.8 | -7 | 0 | 0 | 0 | 115.2 | ||||
| 513 | K | 31.9 | Very low | 32.6 | Very low | 177 Ų | 177 | 129.1 Ų | 129.1 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | 82.5 | 154.2 | 160.9 | -70.9 | -165.3 | 172.5 | -109 | 0 | 119.1 | ||||
| 514 | E | 30.6 | Very low | 31.8 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | cis | -173.2 | 142 | -29.5 | -176.5 | 163.2 | -147.8 | 0 | 0 | 107.8 | ||||
| 515 | G | 28 | Very low | 31.9 | Very low | 76 Ų | 76 | 131.6 Ų | 131.6 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 157.3 | 119.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 516 | A | 31 | Very low | 31.7 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -116.5 | 154.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 517 | D | 30.6 | Very low | 31.7 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -153.9 | 157.1 | 142.4 | -109.9 | -34.5 | 0 | 0 | 0 | 110 | ||||
| 518 | A | 31.6 | Very low | 31.8 | Very low | 92 Ų | 92 | 127 Ų | 127 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -145 | 160.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 519 | V | 31.2 | Very low | 31.8 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 154 | 104.6 | 166.4 | 150.3 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 520 | S | 33.6 | Very low | 31.9 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | 70.6 | 126.3 | 79.4 | -61.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 521 | G | 30 | Very low | 32.9 | Very low | 69 Ų | 69 | 126 Ų | 126 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | cis | 166.9 | -175.3 | -6.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 522 | T | 33.3 | Very low | 32.9 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | trans | 53.1 | 105.5 | 149.2 | -43.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 523 | Q | 32.4 | Very low | 31.8 | Very low | 205 Ų | 205 | 128.7 Ų | 128.7 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | -141.2 | 144.6 | 128.2 | -161.2 | 175.5 | 24.6 | 0 | 0 | 109.2 | |||||
| 524 | G | 29.3 | Very low | 31.6 | Very low | 71 Ų | 71 | 123.8 Ų | 123.8 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | -159.8 | 149.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 525 | K | 32.3 | Very low | 31.7 | Very low | 207 Ų | 207 | 125.9 Ų | 125.9 | 90% | 0.9 | 82% | 0.824 | S | S | * | * | trans | -167.1 | 133.8 | 162.9 | -114 | 177.3 | 174.6 | 178.7 | 0 | 104.3 | ||||
| 526 | G | 30 | Very low | 31.9 | Very low | 66 Ų | 66 | 126.3 Ų | 126.3 | 68% | 0.68 | 83% | 0.828 | S | S | * | * | cis | 80.3 | 105.9 | 30.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 527 | T | 32.9 | Very low | 32 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | cis | -141.2 | 169.9 | 22.8 | 48.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 528 | G | 29.6 | Very low | 32.1 | Very low | 82 Ų | 82 | 128.6 Ų | 128.6 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | cis | 144.8 | 137.1 | 1.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 529 | G | 29.3 | Very low | 32.1 | Very low | 85 Ų | 85 | 129 Ų | 129 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | 153 | 67.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 530 | E | 31.2 | Very low | 32.1 | Very low | 184 Ų | 184 | 127.7 Ų | 127.7 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -79.3 | -178.8 | 161.1 | -115.3 | -172.7 | 101.3 | 0 | 0 | 110.8 | ||||
| 531 | P | 48.9 | Very low | 31.9 | Very low | 101 Ų | 101 | 128 Ų | 128 | 66% | 0.656 | 81% | 0.808 | S | S | * | * | cis | -125.2 | -147.2 | -14.8 | 26.3 | 0.2 | 0 | 0 | 0 | 109.9 | ||||
| 532 | R | 31.2 | Very low | 31.9 | Very low | 237 Ų | 237 | 131.3 Ų | 131.3 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | cis | -172.4 | 146.2 | 20 | -165.5 | 176.7 | 177.2 | -179.2 | -1.6 | 113.4 | ||||
| 533 | G | 28.1 | Very low | 31.5 | Very low | 73 Ų | 73 | 133.8 Ų | 133.8 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 81.2 | 137.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 534 | G | 29.6 | Very low | 31.2 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | cis | 86.3 | 129.6 | 13.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 535 | E | 32.2 | Very low | 31.2 | Very low | 207 Ų | 207 | 135.8 Ų | 135.8 | 97% | 0.967 | 80% | 0.802 | S | S | * | * | cis | -140.8 | 168.7 | 8.5 | -64 | 159.7 | 114.4 | 0 | 0 | 109.7 | ||||
| 536 | G | 32.2 | Very low | 31 | Very low | 85 Ų | 85 | 130.3 Ų | 130.3 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | trans | 169.6 | 95.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 537 | Q | 32.6 | Very low | 30.9 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -105.5 | 138.4 | -169 | 179.4 | 169.9 | -22.7 | 0 | 0 | 113.1 | ||||
| 538 | Q | 32.3 | Very low | 30.7 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | 75.6 | 122.2 | 154.8 | -83.8 | 169.7 | 12.8 | 0 | 0 | 122.7 | ||||
| 539 | S | 31.1 | Very low | 30.5 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | 105.8 | 133.1 | 120.9 | -68.7 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 540 | S | 31.9 | Very low | 30.3 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | 60.8 | 91.4 | 142.2 | 60.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 541 | T | 30.4 | Very low | 30.1 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | 30.7 | 123.9 | 117.4 | 53.7 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 542 | L | 29 | Very low | 29 | Very low | 139 Ų | 139 | 136 Ų | 136 | 73% | 0.728 | 80% | 0.8 | S | S | * | * | 105.3 | 145.5 | 119.8 | -85.6 | 172.2 | 0 | 0 | 0 | 122.5 | |||||
| 543 | Y | 25.7 | Very low | 28.8 | Very low | 197 Ų | 197 | 130 Ų | 130 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 62.9 | 124 | 167.5 | -70.9 | -69.6 | 0 | 0 | 0 | 120.4 | ||||
| 544 | F | 25.8 | Very low | 28.8 | Very low | 211 Ų | 211 | 131 Ų | 131 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -150.5 | 157.2 | 131 | -132.6 | -89.6 | 0 | 0 | 0 | 112 | ||||
| 545 | S | 28.7 | Very low | 28.8 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -102.3 | 161.7 | -178.3 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 546 | A | 29 | Very low | 28.6 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -85.3 | 150.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 547 | T | 27.7 | Very low | 28.3 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | -177.9 | 147.5 | 121 | 30.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 548 | A | 28.3 | Very low | 28.5 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | 36.9 | 139.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 549 | E | 25.3 | Very low | 29.7 | Very low | 193 Ų | 193 | 130.1 Ų | 130.1 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | -156.1 | -162.8 | 57 | -95.2 | -163.1 | 160.1 | 0 | 0 | 114.9 | |||||
| 550 | V | 25.7 | Very low | 29.7 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -106.8 | 132.9 | -148.7 | 167.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 551 | A | 26.8 | Very low | 29.7 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | trans | 43.4 | 136.6 | 145.2 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 552 | T | 25.5 | Very low | 29.6 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | -140.7 | 156.8 | 128.3 | 51.6 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 553 | S | 26.4 | Very low | 29.6 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | cis | -156.1 | -158.9 | -14.3 | 50.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 554 | S | 29.4 | Very low | 29.9 | Very low | 93 Ų | 93 | 129.1 Ų | 129.1 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | cis | -165.6 | 144.1 | 6.5 | 49.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 555 | Q | 29 | Very low | 30.1 | Very low | 175 Ų | 175 | 122.6 Ų | 122.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 64.3 | 153.2 | 163.2 | -101.1 | 157.3 | -71 | 0 | 0 | 117.7 | ||||
| 556 | E | 27.8 | Very low | 30.2 | Very low | 176 Ų | 176 | 126.4 Ų | 126.4 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | cis | -151.1 | 162 | 13.1 | -165.4 | 162.4 | 158.3 | 0 | 0 | 112 | ||||
| 557 | G | 26.6 | Very low | 30.2 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | 115.2 | 130.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 558 | S | 37 | Very low | 30.3 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -142.2 | 176.1 | -178.2 | -112.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 559 | P | 55.9 | Low | 30.5 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | cis | -136.3 | 171.5 | -16.3 | 37.9 | -21.5 | 0 | 0 | 0 | 114.6 | ||||
| 560 | A | 31.4 | Very low | 30.7 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | -157.2 | 137.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 561 | T | 32.6 | Very low | 31.1 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -86.6 | 171.1 | 175.7 | 14.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 562 | L | 28.5 | Very low | 31.2 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | cis | -164.6 | 145.8 | 36.8 | -162.7 | 85.4 | 0 | 0 | 0 | 111.9 | ||||
| 563 | Q | 29.2 | Very low | 31.5 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | trans | 52.3 | 120.5 | 149.4 | -74.8 | 169.8 | 11.4 | 0 | 0 | 120.8 | ||||
| 564 | T | 31.8 | Very low | 31.6 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | 63.2 | 140.6 | 73 | 66.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 565 | A | 28.6 | Very low | 31.6 | Very low | 73 Ų | 73 | 130.1 Ų | 130.1 | 60% | 0.603 | 78% | 0.776 | S | S | * | * | cis | -173.5 | 168.4 | -0.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 566 | H | 30.7 | Very low | 32.7 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | 54 | 156.6 | 141.6 | -68.5 | -35 | 0 | 0 | 0 | 121.8 | ||||
| 567 | S | 30.1 | Very low | 32.8 | Very low | 108 Ų | 108 | 123.9 Ų | 123.9 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | cis | -171.1 | 140.6 | -14.1 | 167.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 568 | G | 30.6 | Very low | 33.1 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | 76.8 | 174.9 | 135.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 569 | R | 30.9 | Very low | 33.6 | Very low | 230 Ų | 230 | 129 Ų | 129 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | cis | -168.1 | 122.2 | -17.7 | -171.4 | -169.6 | -171 | -160.4 | 4.4 | 113 | ||||
| 570 | S | 31 | Very low | 32.3 | Very low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | 61 | 174.2 | 161 | 69.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 571 | L | 33.1 | Very low | 32.2 | Very low | 155 Ų | 155 | 127.5 Ų | 127.5 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | cis | -156.1 | 158.4 | 11.2 | -170.8 | 68.5 | 0 | 0 | 0 | 108.2 | ||||
| 572 | G | 28.6 | Very low | 32.8 | Very low | 55 Ų | 55 | 126.7 Ų | 126.7 | 57% | 0.567 | 76% | 0.764 | S | S | * | * | cis | 139.5 | 155.7 | -3.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 573 | K | 32.5 | Very low | 33.2 | Very low | 204 Ų | 204 | 128.3 Ų | 128.3 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | trans | 88.5 | 145 | -171 | -58.8 | 170 | 175.8 | 176.1 | 0 | 114.2 | ||||
| 574 | S | 27.8 | Very low | 33.6 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | cis | -151.9 | 152.8 | 0.6 | 38.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 575 | C | 29.3 | Very low | 33.8 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | -78.5 | 173.9 | 169.8 | -73.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 576 | P | 53.1 | Low | 33.8 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | cis | -115.9 | -165.5 | 14.1 | 42.9 | -27.4 | 0 | 0 | 0 | 113.3 | ||||
| 577 | A | 29.5 | Very low | 33.8 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | cis | -151.7 | -156.5 | 15.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 578 | Q | 32.4 | Very low | 34.7 | Very low | 184 Ų | 184 | 129.8 Ų | 129.8 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -151.7 | 175.2 | -178.9 | -99.8 | -168.4 | -6.5 | 0 | 0 | 109.2 | ||||
| 579 | P | 47.9 | Very low | 34.4 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | cis | -121.3 | -174 | -2.5 | 32.4 | -11.1 | 0 | 0 | 0 | 112.1 | ||||
| 580 | A | 28.5 | Very low | 35.2 | Very low | 97 Ų | 97 | 130 Ų | 130 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | cis | -144.3 | 166.3 | 5.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 581 | S | 29.5 | Very low | 35.1 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | -84.8 | -174.9 | 171.3 | -128.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 582 | P | 45.7 | Very low | 34.8 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | cis | -121.6 | 151.7 | -2.1 | 10.1 | 17 | 0 | 0 | 0 | 114.5 | ||||
| 583 | Q | 35.7 | Very low | 34.7 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | 77.5 | 152.8 | 66.9 | -58.9 | -103.7 | 3.9 | 0 | 0 | 115.1 | |||||
| 584 | P | 38.1 | Very low | 34.4 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | -139.2 | 176.8 | -50.8 | 39.3 | -22.7 | 0 | 0 | 0 | 114.5 | |||||
| 585 | V | 36.4 | Very low | 34.4 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -131.4 | 129.2 | 168.1 | 174.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 586 | V | 28.4 | Very low | 34.5 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -142.5 | 152 | 171.9 | -171.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 587 | K | 30.8 | Very low | 33.3 | Very low | 196 Ų | 196 | 134.1 Ų | 134.1 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | trans | -107.8 | 168.2 | -176.6 | -98.4 | 178.3 | 176.6 | 177.6 | 0 | 112.5 | ||||
| 588 | P | 49.3 | Very low | 33.6 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | -92.6 | 171.9 | -165.6 | 38.4 | -38.8 | 0 | 0 | 0 | 114.9 | ||||
| 589 | F | 25 | Very low | 33.3 | Very low | 203 Ų | 203 | 135.3 Ų | 135.3 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | 170.7 | 171.2 | 153.2 | -86.4 | -43.3 | 0 | 0 | 0 | 110.1 | ||||
| 590 | P | 45.9 | Very low | 32.4 | Very low | 105 Ų | 105 | 138 Ų | 138 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | cis | -144.2 | 177.3 | -40.8 | 42.2 | -25.4 | 0 | 0 | 0 | 116.5 | ||||
| 591 | V | 30.3 | Very low | 32.2 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | 64.5 | 122.7 | 146.5 | 170.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 592 | T | 26.2 | Very low | 32.2 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | -164.9 | 154.8 | 119.2 | 2.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 593 | M | 26.3 | Very low | 31.3 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -125.1 | 157.4 | 174.4 | -68.2 | -158.4 | -53 | 0 | 0 | 111.2 | ||||
| 594 | A | 27.2 | Very low | 31.4 | Very low | 102 Ų | 102 | 135 Ų | 135 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -154.5 | 127.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 595 | D | 27.6 | Very low | 30.9 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -91.8 | 138.2 | 173.5 | -73.6 | -69.8 | 0 | 0 | 0 | 111.7 | ||||
| 596 | I | 30.8 | Very low | 30.5 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -140.9 | 130 | 153.1 | -56.4 | -176.8 | 0 | 0 | 0 | 108.9 | ||||
| 597 | S | 28.8 | Very low | 30.4 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 160.9 | -177.8 | -49.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 598 | P | 34 | Very low | 30.2 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77 | 150.3 | -178.4 | 31.9 | -36.1 | 0 | 0 | 0 | 113.2 | ||
| 599 | I | 27.5 | Very low | 29.3 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 142.4 | 175 | -65.2 | 178.8 | 0 | 0 | 0 | 110.6 | ||
| 600 | L | 28.1 | Very low | 29.5 | Very low | 176 Ų | 176 | 129.6 Ų | 129.6 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -112.8 | 149.7 | -174 | -160.5 | 92.8 | 0 | 0 | 0 | 111.1 | ||||
| 601 | G | 25 | Very low | 28.7 | Very low | 64 Ų | 64 | 130.4 Ų | 130.4 | 66% | 0.66 | 82% | 0.821 | S | S | * | * | trans | 118.8 | 146 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 602 | T | 28.4 | Very low | 28.7 | Very low | 143 Ų | 143 | 129.3 Ų | 129.3 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | cis | -151.2 | 137.6 | 0.8 | -41.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 603 | G | 27.8 | Very low | 28.6 | Very low | 63 Ų | 63 | 126.3 Ų | 126.3 | 65% | 0.649 | 82% | 0.822 | S | S | * | * | trans | -74.8 | 169.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 604 | P | 36.7 | Very low | 28.9 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | -138.1 | 158.8 | 95.7 | 37 | -26 | 0 | 0 | 0 | 114.3 | |||||
| 605 | C | 28.9 | Very low | 29.5 | Very low | 134 Ų | 134 | 129 Ų | 129 | 91% | 0.905 | 82% | 0.823 | S | S | * | * | trans | -86 | 138.9 | 175.2 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 606 | S | 28 | Very low | 29.3 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -140.9 | 99.7 | 154.9 | 53.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 607 | G | 26.8 | Very low | 29.2 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -88.1 | 138.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 608 | F | 24.8 | Very low | 29 | Very low | 199 Ų | 199 | 129.7 Ų | 129.7 | 87% | 0.873 | 81% | 0.806 | S | S | * | * | trans | -143.4 | 118.4 | 163.2 | -93.1 | -76 | 0 | 0 | 0 | 110.8 | ||||
| 609 | C | 30.4 | Very low | 28.5 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -78.9 | 153.6 | 147 | -61.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 610 | P | 30.8 | Very low | 28.3 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -125.1 | 158.9 | 131.3 | 35.7 | -30.5 | 0 | 0 | 0 | 112.1 | ||||
| 611 | S | 29 | Very low | 28.2 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -136.7 | 164.7 | 169.4 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 612 | A | 30.4 | Very low | 28.2 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | 69 | 146.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 613 | G | 23.6 | Very low | 28.1 | Very low | 76 Ų | 76 | 130.7 Ų | 130.7 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 146.4 | 65.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 614 | F | 31.4 | Very low | 28 | Very low | 209 Ų | 209 | 135 Ų | 135 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -84.5 | 149.3 | 152.1 | -85 | -79.4 | 0 | 0 | 0 | 109 | ||||
| 615 | P | 40.1 | Very low | 27.4 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | -142.7 | -171 | 119.2 | 36.4 | -20.5 | 0 | 0 | 0 | 114.7 | |||||
| 616 | E | 25 | Very low | 27.3 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | trans | -97.3 | 153 | -160.2 | -64.9 | 177.6 | 108.6 | 0 | 0 | 116.2 | ||||
| 617 | R | 27.3 | Very low | 27.9 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | 56.8 | 145.9 | 129.7 | -143.6 | -165.2 | -81.5 | 104.6 | 4.6 | 118.1 | |||||
| 618 | T | 24.3 | Very low | 27.8 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | -175.6 | 178.5 | 51.2 | -41.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 619 | L | 24.6 | Very low | 27.8 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 78.5 | 120.8 | 174 | -63.8 | 151.3 | 0 | 0 | 0 | 114.7 | ||||
| 620 | S | 22.7 | Very low | 28.4 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | cis | 85.6 | 115.5 | 14.7 | -157.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 621 | I | 27.1 | Very low | 28.4 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | -163.1 | 154.9 | 151.7 | -97.3 | 153.7 | 0 | 0 | 0 | 106.6 | ||||
| 622 | S | 25.2 | Very low | 28.3 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | trans | -133.5 | -171.3 | -167.4 | -59.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 623 | E | 26 | Very low | 28.1 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | trans | 81.1 | 146.1 | 167.6 | -57.5 | 167.8 | 170.4 | 0 | 0 | 114.6 | ||||
| 624 | L | 24.9 | Very low | 28.3 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | cis | -143.8 | 165 | 24.1 | -171.9 | 62.2 | 0 | 0 | 0 | 113.6 | ||||
| 625 | E | 25.2 | Very low | 28.1 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | trans | -61.5 | 151.1 | 176.7 | -76.3 | 150.5 | 102.2 | 0 | 0 | 115.1 | ||||
| 626 | E | 26.5 | Very low | 27.5 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | 65.5 | 156.9 | 77 | -110.6 | -135.1 | 102.4 | 0 | 0 | 113.9 | Q628 | E626-Q628 PolarHBondContact OE1-N 3.38Š| |||
| 627 | P | 39.3 | Very low | 27.6 | Very low | 104 Ų | 104 | 148.5 Ų | 148.5 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | cis | -145.5 | 173.4 | 32.3 | 44.8 | -24.7 | 0 | 0 | 0 | 121.3 | ||||
| 628 | Q | 24.6 | Very low | 27.6 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | 91.4 | 131.8 | 137.8 | -91.3 | 168.9 | 26.2 | 0 | 0 | 125.4 | E626 | E626-Q628 PolarHBondContact OE1-N 3.38Š| ||
| 629 | E | 25.1 | Very low | 27.8 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -86.2 | -156.2 | 173.8 | -126.1 | -155.8 | 122 | 0 | 0 | 111.3 | ||||
| 630 | P | 43.9 | Very low | 28 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 62% | 0.623 | 77% | 0.765 | S | S | * | * | cis | -140.6 | 161.5 | 0.7 | 25 | 1.2 | 0 | 0 | 0 | 120 | ||||
| 631 | T | 29.6 | Very low | 28.2 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | trans | 70.9 | 145.2 | 139.9 | 57.7 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 632 | R | 27.4 | Very low | 28.1 | Very low | 218 Ų | 218 | 138.6 Ų | 138.6 | 82% | 0.823 | 76% | 0.759 | S | S | * | * | trans | 78 | 149.9 | 152.7 | -84 | 179.8 | 170.2 | 124.8 | 2.8 | 119.2 | ||||
| 633 | D | 25.8 | Very low | 28.1 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | cis | -142.2 | -178.7 | 5.1 | -136.5 | -32.7 | 0 | 0 | 0 | 114.9 | ||||
| 634 | Q | 28.4 | Very low | 28.1 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | -83.1 | 150 | -173.6 | -54.8 | 173.7 | 6.3 | 0 | 0 | 115 | ||||
| 635 | S | 26.7 | Very low | 28.1 | Very low | 122 Ų | 122 | 141 Ų | 141 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | 165.7 | 166.1 | 121.9 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 636 | H | 28.1 | Very low | 28.2 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | trans | -92.3 | 158.8 | -177.8 | -61.8 | -98.8 | 0 | 0 | 0 | 112.4 | ||||
| 637 | H | 27.4 | Very low | 28.6 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | -174.4 | 153.2 | 111.1 | -102 | -75.5 | 0 | 0 | 0 | 113 | |||||
| 638 | A | 26.8 | Very low | 28.2 | Very low | 89 Ų | 89 | 142 Ų | 142 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | -121.8 | 175.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 639 | A | 29.4 | Very low | 28.2 | Very low | 82 Ų | 82 | 142 Ų | 142 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | cis | -161.5 | -172.6 | 11.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 640 | V | 27.6 | Very low | 28.2 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | 71.7 | 137.9 | 166.1 | -165.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 641 | G | 26.9 | Very low | 27.3 | Very low | 61 Ų | 61 | 146.4 Ų | 146.4 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | cis | 152.3 | 163.4 | -8.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 642 | V | 26 | Very low | 27.2 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | 66.4 | 123.6 | 165.6 | -166.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 643 | W | 25.7 | Very low | 27.2 | Very low | 222 Ų | 222 | 143.8 Ų | 143.8 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | -163.2 | -164.6 | 50.9 | -148.7 | 18.9 | 0 | 0 | 0 | 114.7 | |||||
| 644 | M | 25.4 | Very low | 27.7 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 70% | 0.704 | 79% | 0.793 | S | S | * | * | trans | -68 | 151 | -172.2 | -55.3 | 166 | 176 | 0 | 0 | 116.5 | ||||
| 645 | S | 23.6 | Very low | 28.2 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | 158.8 | 151.2 | 114.6 | -70 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 646 | L | 29.1 | Very low | 28.3 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | -76.7 | 169.3 | 163.2 | -122 | 76.8 | 0 | 0 | 0 | 110.2 | ||||
| 647 | P | 34.8 | Very low | 28.4 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | cis | -142.7 | -174.7 | 47.3 | 39.6 | -18.1 | 0 | 0 | 0 | 117 | ||||
| 648 | Q | 29.9 | Very low | 28.4 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -76.1 | 159.1 | 178.9 | -57.3 | 163.2 | -77.4 | 0 | 0 | 113.6 | ||||
| 649 | L | 25.3 | Very low | 28.6 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -146.3 | 151.2 | 142.1 | -147.3 | 73.6 | 0 | 0 | 0 | 112.2 | ||||
| 650 | R | 24.6 | Very low | 28.9 | Very low | 221 Ų | 221 | 141.7 Ų | 141.7 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -82.1 | 176.2 | 161.6 | -60.4 | 175.6 | 170.9 | 159.2 | -5.1 | 108.4 | ||||
| 651 | T | 25.7 | Very low | 29.6 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | cis | -158.1 | 165.3 | 18 | -29.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 652 | A | 26.6 | Very low | 29.7 | Very low | 85 Ų | 85 | 145.6 Ų | 145.6 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | -11.1 | 142.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 653 | H | 27.5 | Very low | 29.9 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | -152.9 | 135.7 | 120.9 | -122.7 | -65 | 0 | 0 | 0 | 112.9 | |||||
| 654 | E | 35.4 | Very low | 30.1 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | -115.7 | 151.8 | 154.3 | -171 | 176.3 | -152.8 | 0 | 0 | 106.5 | ||||
| 655 | P | 39.8 | Very low | 30.3 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | -144.7 | 166.8 | 121.6 | 36.7 | -21.7 | 0 | 0 | 0 | 114.5 | |||||
| 656 | C | 27.8 | Very low | 30.7 | Very low | 91 Ų | 91 | 139.3 Ų | 139.3 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | trans | -104.3 | -163.4 | -166.7 | -37 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 657 | L | 30.5 | Very low | 30.6 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | 84.1 | 143.8 | 168 | -46.5 | 176.8 | 0 | 0 | 0 | 114.7 | ||||
| 658 | T | 27.8 | Very low | 30.5 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | cis | -128.8 | 176.3 | 9.3 | 57.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 659 | S | 31.7 | Very low | 30.4 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | cis | -159 | 163.8 | 26.6 | 53.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 660 | T | 34.3 | Very low | 30.6 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -99.9 | 177.4 | 165.5 | 40.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 661 | P | 43.9 | Very low | 30.9 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | cis | -153.7 | 171.7 | 28.3 | 45.2 | -24 | 0 | 0 | 0 | 121.2 | ||||
| 662 | K | 29.3 | Very low | 31.1 | Very low | 183 Ų | 183 | 132.5 Ų | 132.5 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | 60.5 | 158.9 | 144.9 | -82.7 | -171 | 176.2 | -158 | 0 | 120 | ||||
| 663 | S | 28.4 | Very low | 31.4 | Very low | 91 Ų | 91 | 138 Ų | 138 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | cis | -158.4 | 156.3 | 3.1 | 28.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 664 | E | 30.3 | Very low | 31.8 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | 23.9 | 159.3 | 137.6 | -64.7 | 152.4 | 129.8 | 0 | 0 | 123.4 | ||||
| 665 | S | 30.2 | Very low | 31.7 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | cis | 176.2 | 172.2 | -41.4 | 55.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 666 | I | 32.1 | Very low | 31.3 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | 87.6 | 139.8 | 156.7 | -61.5 | 169.5 | 0 | 0 | 0 | 121.4 | ||||
| 667 | Q | 27.8 | Very low | 31.5 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | 56.5 | 141 | 165.9 | -76.9 | 164.9 | -83.9 | 0 | 0 | 121 | ||||
| 668 | R | 30.7 | Very low | 31.5 | Very low | 221 Ų | 221 | 136.1 Ų | 136.1 | 83% | 0.834 | 71% | 0.714 | S | S | * | * | cis | 100.3 | 142.6 | 9.7 | -167.5 | -175.7 | -85.4 | 176.1 | -5.1 | 116.7 | ||||
| 669 | D | 29.3 | Very low | 31.9 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 67% | 0.674 | 71% | 0.711 | S | S | * | * | trans | 88.1 | 143.9 | 172.2 | -63.3 | -48.1 | 0 | 0 | 0 | 116.8 | ||||
| 670 | C | 29.5 | Very low | 32.9 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | cis | -157.7 | 167.3 | -2.8 | -133.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 671 | S | 30.7 | Very low | 32.9 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | trans | 25.8 | 148.1 | 152.6 | -116.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 672 | C | 29.6 | Very low | 32.4 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 70% | 0.696 | 71% | 0.706 | S | S | * | * | cis | -162.5 | -172 | 19.1 | -132.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 673 | R | 33.5 | Very low | 32.5 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | cis | -167 | 171.5 | -8.9 | -132.4 | -179.5 | -171.7 | -132.9 | 6.1 | 103.5 | ||||
| 674 | E | 35.8 | Very low | 33.3 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 54% | 0.537 | 73% | 0.732 | S | S | . | * | cis | -172.1 | -176.1 | -6.9 | -138.2 | 179.7 | 162.6 | 0 | 0 | 105.8 | ||||
| 675 | Q | 32.1 | Very low | 33.4 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 58% | 0.579 | 73% | 0.731 | S | S | * | * | cis | -158.6 | 146.5 | -9.2 | -159.3 | -171.6 | 87.7 | 0 | 0 | 108.3 | ||||
| 676 | M | 32.3 | Very low | 33.6 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 74% | 0.744 | 74% | 0.735 | S | S | * | * | trans | 63.5 | 158.2 | 166.8 | -77.4 | -177.2 | -162.9 | 0 | 0 | 117.7 | ||||
| 677 | K | 32.1 | Very low | 33.7 | Very low | 156 Ų | 156 | 148 Ų | 148 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | cis | -154.4 | 144.4 | 6.4 | -136.1 | 179.5 | -177.7 | -165.3 | 0 | 113.1 | ||||
| 678 | Q | 30.3 | Very low | 34 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | trans | 45.5 | 122.1 | 145.8 | -73.5 | -177.9 | -79.2 | 0 | 0 | 124.3 | ||||
| 679 | E | 37.2 | Very low | 34.3 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | 45.3 | 158.2 | 112.9 | -65.1 | 179 | 120.6 | 0 | 0 | 123.2 | |||||
| 680 | P | 51.9 | Low | 34.6 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | cis | -139.3 | -167.7 | -30.6 | 38.8 | -19.5 | 0 | 0 | 0 | 113.9 | ||||
| 681 | S | 34.3 | Very low | 34.9 | Very low | 94 Ų | 94 | 146.1 Ų | 146.1 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | trans | -68.7 | 169.7 | 163.9 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 682 | F | 33.3 | Very low | 35.3 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 80% | 0.798 | 73% | 0.731 | S | S | * | * | -170.4 | 168.2 | 119.3 | -113.1 | -81.9 | 0 | 0 | 0 | 113.5 | |||||
| 683 | F | 32.1 | Very low | 35.7 | Very low | 177 Ų | 177 | 152.9 Ų | 152.9 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | -54.9 | 152.3 | -176.6 | -79.7 | -122.6 | 0 | 0 | 0 | 116.2 | ||||
| 684 | I | 44.2 | Very low | 35.9 | Very low | 233 Ų | 233 | 148.6 Ų | 148.6 | 100% | 1.195 | 73% | 0.732 | S | S | * | * | -132.5 | 0 | 98.3 | -86.6 | 172.9 | 0 | 0 | 0 | 107.6 |
Retrieved 684 of 684 residues in 211.9 ms
(Link to these results)