| 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 | 57.3 | Low | 80.6 | Confident | 130 Ų | 130 | 46.6 Ų | 46.6 | 64% | 0.64 | 23% | 0.23 | S | C | * | . | 0 | -46 | 0 | -87.5 | -161.9 | -98.2 | 0 | 0 | 113.6 | Q3 K4 K5 K94 E295 | M1-Q3 PolarHBondContact O-N 3.17Å; M1-K4 PolarHBondContact O-N 3.13Å; M1-K5 PolarHBondContact O-N 3.24Å; M1-K94 HydrophobicContact CE-CD 3.88Å; M1-K94 HydrophobicContact SD-CD 3.86Å; M1-K94 PolarHBondContact SD-NZ 3.49Å; M1-E295 WeakPolarHBondContact CE-OE2 3.46Å | |||
| 2 | A | 71.9 | Confident | 81.3 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 12% | 0.124 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.4 | -40.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K5 Y6 Y351 Y590 | A2-K5 PolarHBondContact O-N 3.23Å; A2-Y6 WeakPolarHBondContact O-CB 3.49Å; A2-Y6 PolarHBondContact O-N 3.08Å; A2-Y351 HydrophobicContact CB-CE1 4.13Å; A2-Y590 HydrophobicContact CB-CE2 4.36Å |
| 3 | Q | 77 | Confident | 81.9 | Confident | 124 Ų | 124 | 47.2 Ų | 47.2 | 58% | 0.579 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64.8 | -40.1 | 178.1 | -67.7 | 173.4 | -6.4 | 0 | 0 | 113.6 | M1 Y6 L7 | M1-Q3 PolarHBondContact O-N 3.17Å; Q3-Y6 WeakPolarHBondContact O-CB 3.45Å; Q3-Y6 PolarHBondContact O-N 2.9Å; Q3-L7 WeakPolarHBondContact O-CB 3.23Å; Q3-L7 PolarHBondContact O-N 3.11Å |
| 4 | K | 80.3 | Confident | 82.5 | Confident | 98 Ų | 98 | 44.8 Ų | 44.8 | 43% | 0.426 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.2 | -44.3 | 176.3 | -177 | 179.1 | -179.4 | 176.5 | 0 | 111.2 | M1 L7 Q8 E62 | M1-K4 PolarHBondContact O-N 3.13Å; K4-L7 PolarHBondContact O-N 2.94Å; K4-Q8 PolarHBondContact O-N 3.17Å; K4-E62 WeakPolarHBondContact CE-OE1 3.48Å; K4-E62 WeakPolarHBondContact CE-OE2 3.26Å; K4-E62 VanDerWaalsContact NZ-CD 3.26Å; K4-E62 IonicContact NZ-OE1 3.95Å; K4-E62 PolarHBondContact NZ-OE1 3.42Å; K4-E62 IonicContact NZ-OE2 2.68Å; K4-E62 PolarHBondContact NZ-OE2 3.41Å |
| 5 | K | 78.5 | Confident | 83.1 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 14% | 0.143 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.8 | -46.4 | 178.8 | -67.7 | -174.4 | 172.6 | -160.7 | 0 | 111.7 | M1 A2 L7 Q8 A9 E298 | M1-K5 PolarHBondContact O-N 3.24Å; A2-K5 PolarHBondContact O-N 3.23Å; K5-L7 VanDerWaalsContact C-N 3.32Å; K5-L7 PolarHBondContact O-N 2.74Å; K5-Q8 PolarHBondContact O-N 3.12Å; K5-A9 PolarHBondContact O-N 2.95Å; K5-E298 HydrophobicContact CD-CG 4.27Å; K5-E298 WeakPolarHBondContact CD-OE1 3.31Å; K5-E298 WeakPolarHBondContact CE-OE1 3.39Å; K5-E298 VanDerWaalsContact CE-OE2 3.24Å; K5-E298 WeakPolarHBondContact CE-OE2 3.37Å; K5-E298 VanDerWaalsContact CG-OE1 3.31Å; K5-E298 WeakPolarHBondContact CG-OE1 3.41Å; K5-E298 IonicContact NZ-OE1 3.7Å; K5-E298 PolarHBondContact NZ-OE1 2.77Å; K5-E298 IonicContact NZ-OE2 3.3Å; K5-E298 PolarHBondContact NZ-OE2 3.36Å |
| 6 | Y | 83.9 | Confident | 83.6 | Confident | 3 Ų | 3 | 52 Ų | 52 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -52.5 | -49.9 | 171.3 | 167 | -83.7 | 0 | 0 | 0 | 111.6 | A2 Q3 Q8 A9 K10 Y351 D356 R594 | A2-Y6 WeakPolarHBondContact O-CB 3.49Å; A2-Y6 PolarHBondContact O-N 3.08Å; Q3-Y6 WeakPolarHBondContact O-CB 3.45Å; Q3-Y6 PolarHBondContact O-N 2.9Å; Y6-Q8 PolarHBondContact O-N 3.48Å; Y6-A9 PolarHBondContact O-N 2.93Å; Y6-K10 HydrophobicContact CE1-CG 3.84Å; Y6-K10 HydrophobicContact CE2-CG 4.06Å; Y6-K10 PolarHBondContact O-N 3.37Å; Y6-K10 WeakPolarHBondContact OH-CE 3.32Å; Y6-K10 WeakPolarHBondContact OH-CG 3.29Å; Y6-Y351 HydrophobicContact CD2-CD2 4Å; Y6-Y351 HydrophobicContact CD2-CE1 4.38Å; Y6-Y351 AromaticContact CD2-CE2 3.77Å; Y6-Y351 HydrophobicContact CD2-CE2 3.77Å; Y6-Y351 HydrophobicContact CD2-CG 4.42Å; Y6-Y351 AromaticContact CD2-CZ 3.97Å; Y6-Y351 VanDerWaalsContact CD2-O 3.26Å; Y6-Y351 WeakPolarHBondContact CD2-O 3.44Å; Y6-Y351 HydrophobicContact CE2-CE2 4.33Å; Y6-Y351 HydrophobicContact CG-CE1 4.38Å; Y6-Y351 HydrophobicContact CG-CE2 4.22Å; Y6-Y351 AromaticContact CG-CZ 3.99Å; Y6-D356 WeakPolarHBondContact CE2-OD1 3.09Å; Y6-D356 PolarHBondContact OH-OD1 3.08Å; Y6-D356 VanDerWaalsContact OH-OD1 3.05Å; Y6-D356 PolarHBondContact OH-OD2 2.75Å; Y6-D356 VanDerWaalsContact OH-OD2 3.08Å; Y6-R594 VanDerWaalsContact CE1-CZ 3.44Å; Y6-R594 PolarHBondContact OH-NH1 2.83Å |
| 7 | L | 85.9 | Confident | 84 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | -178.9 | -178.2 | 58.3 | 0 | 0 | 0 | 111.2 | Q3 K4 K5 A9 K10 L11 L49 E55 V59 | Q3-L7 WeakPolarHBondContact O-CB 3.23Å; Q3-L7 PolarHBondContact O-N 3.11Å; K4-L7 PolarHBondContact O-N 2.94Å; K5-L7 VanDerWaalsContact C-N 3.32Å; K5-L7 PolarHBondContact O-N 2.74Å; L7-A9 VanDerWaalsContact C-N 3.33Å; L7-A9 PolarHBondContact O-N 3.09Å; L7-K10 PolarHBondContact O-N 3.23Å; L7-L11 HydrophobicContact CD1-CD1 4Å; L7-L11 HydrophobicContact CD1-CG 4.18Å; L7-L11 HydrophobicContact CG-CD1 3.9Å; L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 VanDerWaalsContact O-CG 3.25Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 3.37Å; L7-L49 HydrophobicContact CD1-CD1 3.68Å; L7-E55 HydrophobicContact CD2-CB 4.41Å; L7-V59 HydrophobicContact CD2-CG2 3.95Å; L7-V59 HydrophobicContact CG-CG2 4.38Å |
| 8 | Q | 87.1 | Confident | 84.4 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 21% | 0.206 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 175.6 | -166.3 | -171.2 | -35.6 | 0 | 0 | 112 | K4 K5 Y6 T12 V59 I63 | K4-Q8 PolarHBondContact O-N 3.17Å; K5-Q8 PolarHBondContact O-N 3.12Å; Y6-Q8 PolarHBondContact O-N 3.48Å; Q8-T12 WeakPolarHBondContact O-CB 3.49Å; Q8-T12 PolarHBondContact O-N 3.47Å; Q8-T12 PolarHBondContact O-OG1 2.81Å; Q8-V59 HydrophobicContact CB-CG1 3.83Å; Q8-V59 HydrophobicContact CG-CG1 4.05Å; Q8-I63 HydrophobicContact CG-CD1 3.97Å; Q8-I63 HydrophobicContact CG-CG1 3.81Å |
| 9 | A | 86.1 | Confident | 84.7 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 21% | 0.207 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K5 Y6 L7 T12 Q13 H352 | K5-A9 PolarHBondContact O-N 2.95Å; Y6-A9 PolarHBondContact O-N 2.93Å; L7-A9 VanDerWaalsContact C-N 3.33Å; L7-A9 PolarHBondContact O-N 3.09Å; A9-T12 WeakPolarHBondContact O-CB 3.33Å; A9-T12 PolarHBondContact O-N 3.42Å; A9-Q13 PolarHBondContact O-N 2.93Å; A9-H352 WeakPolarHBondContact CB-O 3.49Å |
| 10 | K | 88.6 | Confident | 85 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 11% | 0.113 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 175.7 | -81.9 | -61.5 | -156.9 | -174 | 0 | 113.1 | Y6 L7 T12 Q13 F14 L49 G354 D356 | Y6-K10 HydrophobicContact CE1-CG 3.84Å; Y6-K10 HydrophobicContact CE2-CG 4.06Å; Y6-K10 PolarHBondContact O-N 3.37Å; Y6-K10 WeakPolarHBondContact OH-CE 3.32Å; Y6-K10 WeakPolarHBondContact OH-CG 3.29Å; L7-K10 PolarHBondContact O-N 3.23Å; K10-T12 VanDerWaalsContact C-N 3.26Å; K10-T12 PolarHBondContact O-N 3.32Å; K10-Q13 WeakPolarHBondContact O-CA 3.45Å; K10-Q13 WeakPolarHBondContact O-CB 3.42Å; K10-Q13 PolarHBondContact O-N 3.41Å; K10-F14 PolarHBondContact O-N 3.17Å; K10-L49 HydrophobicContact CB-CD2 4.22Å; K10-L49 HydrophobicContact CG-CD2 4.45Å; K10-G354 VanDerWaalsContact CD-O 3.32Å; K10-G354 WeakPolarHBondContact CD-O 3.24Å; K10-G354 WeakPolarHBondContact CE-O 3.2Å; K10-G354 PolarHBondContact NZ-O 3Å; K10-D356 WeakPolarHBondContact CE-OD2 3.42Å; K10-D356 IonicContact NZ-OD2 3.36Å; K10-D356 PolarHBondContact NZ-OD2 2.75Å |
| 11 | L | 90.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 177.2 | -68.1 | 169.4 | 0 | 0 | 0 | 110.9 | L7 Q13 F14 L15 Y45 L49 V56 V59 I60 I63 | L7-L11 HydrophobicContact CD1-CD1 4Å; L7-L11 HydrophobicContact CD1-CG 4.18Å; L7-L11 HydrophobicContact CG-CD1 3.9Å; L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 VanDerWaalsContact O-CG 3.25Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 3.37Å; L11-Q13 VanDerWaalsContact C-N 3.31Å; L11-Q13 PolarHBondContact O-N 3.33Å; L11-F14 PolarHBondContact O-N 3.38Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CD1 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.44Å; L11-L15 PolarHBondContact O-N 3Å; L11-Y45 HydrophobicContact CD2-CD2 3.71Å; L11-Y45 HydrophobicContact CD2-CG 4.08Å; L11-L49 HydrophobicContact CD2-CD1 3.65Å; L11-L49 HydrophobicContact CG-CD1 4.12Å; L11-V56 HydrophobicContact CD1-CG1 4.17Å; L11-V56 HydrophobicContact CD2-CG1 3.75Å; L11-V59 HydrophobicContact CD1-CB 3.81Å; L11-V59 HydrophobicContact CD1-CG1 3.61Å; L11-I60 HydrophobicContact CD1-CG1 4.03Å; L11-I60 HydrophobicContact CD2-CD1 4.36Å; L11-I60 HydrophobicContact CD2-CG1 4.28Å; L11-I63 HydrophobicContact CB-CD1 3.97Å |
| 12 | T | 89.2 | Confident | 86.7 | Confident | 37 Ų | 37 | 57 Ų | 57 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 173.5 | -55 | 0 | 0 | 0 | 0 | 112.1 | Q8 A9 K10 R16 | Q8-T12 WeakPolarHBondContact O-CB 3.49Å; Q8-T12 PolarHBondContact O-N 3.47Å; Q8-T12 PolarHBondContact O-OG1 2.81Å; A9-T12 WeakPolarHBondContact O-CB 3.33Å; A9-T12 PolarHBondContact O-N 3.42Å; K10-T12 VanDerWaalsContact C-N 3.26Å; K10-T12 PolarHBondContact O-N 3.32Å; T12-R16 VanDerWaalsContact O-CG 3.3Å; T12-R16 WeakPolarHBondContact O-CG 3.39Å; T12-R16 PolarHBondContact O-N 3.22Å; T12-R16 VanDerWaalsContact O-N 3.16Å |
| 13 | Q | 88.8 | Confident | 87.4 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.6 | -47.9 | 174.6 | -176.8 | -176.5 | -8.4 | 0 | 0 | 111.4 | A9 K10 L11 L15 R16 E17 | A9-Q13 PolarHBondContact O-N 2.93Å; K10-Q13 WeakPolarHBondContact O-CA 3.45Å; K10-Q13 WeakPolarHBondContact O-CB 3.42Å; K10-Q13 PolarHBondContact O-N 3.41Å; L11-Q13 VanDerWaalsContact C-N 3.31Å; L11-Q13 PolarHBondContact O-N 3.33Å; Q13-L15 VanDerWaalsContact C-N 3.35Å; Q13-L15 PolarHBondContact O-N 2.9Å; Q13-R16 WeakPolarHBondContact O-CA 3.48Å; Q13-R16 WeakPolarHBondContact O-CB 3.18Å; Q13-R16 PolarHBondContact O-N 3.38Å; Q13-E17 HydrophobicContact CG-CG 4.5Å; Q13-E17 WeakPolarHBondContact CG-OE1 2.91Å; Q13-E17 PolarHBondContact NE2-OE1 3.12Å; Q13-E17 WeakPolarHBondContact O-CG 3.47Å; Q13-E17 PolarHBondContact O-N 3.44Å |
| 14 | F | 90.5 | Very high | 87.9 | Confident | 14 Ų | 14 | 61.7 Ų | 61.7 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 178.2 | -68 | -7.5 | 0 | 0 | 0 | 112.1 | K10 L11 R16 E17 D18 Y45 R48 L49 | K10-F14 PolarHBondContact O-N 3.17Å; L11-F14 PolarHBondContact O-N 3.38Å; F14-R16 PolarHBondContact O-N 3.45Å; F14-E17 PolarHBondContact O-N 3.2Å; F14-E17 VanDerWaalsContact O-N 3.15Å; F14-D18 WeakPolarHBondContact O-CB 2.88Å; F14-D18 PolarHBondContact O-N 3.22Å; F14-Y45 HydrophobicContact CB-CD1 4.2Å; F14-Y45 HydrophobicContact CB-CE1 3.74Å; F14-Y45 HydrophobicContact CB-CE2 4.13Å; F14-Y45 AromaticContact CD2-CD1 3.91Å; F14-Y45 HydrophobicContact CD2-CD1 3.91Å; F14-Y45 HydrophobicContact CD2-CE1 4.27Å; F14-Y45 HydrophobicContact CD2-CG 4.14Å; F14-Y45 HydrophobicContact CG-CE1 4.45Å; F14-Y45 PolarHBondContact O-OH 3.15Å; F14-R48 HydrophobicContact CE2-CB 4.1Å; F14-R48 HydrophobicContact CE2-CG 3.69Å; F14-R48 HydrophobicContact CZ-CG 3.87Å; F14-L49 HydrophobicContact CD2-CG 4.43Å; F14-L49 HydrophobicContact CE2-CD1 4.18Å; F14-L49 HydrophobicContact CE2-CD2 3.51Å; F14-L49 HydrophobicContact CE2-CG 3.59Å; F14-L49 HydrophobicContact CZ-CD2 3.66Å; F14-L49 HydrophobicContact CZ-CG 4.26Å |
| 15 | L | 91.8 | Very high | 88.2 | Confident | 11 Ų | 11 | 62 Ų | 62 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.9 | -35.8 | 173.2 | -69.8 | 165.5 | 0 | 0 | 0 | 112.5 | L11 Q13 R19 I20 L22 L41 Y45 I63 | L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CD1 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.44Å; L11-L15 PolarHBondContact O-N 3Å; Q13-L15 VanDerWaalsContact C-N 3.35Å; Q13-L15 PolarHBondContact O-N 2.9Å; L15-R19 CarbonylContact O-C 3.58Å; L15-R19 PolarHBondContact O-N 2.78Å; L15-R19 VanDerWaalsContact O-N 3.11Å; L15-I20 HydrophobicContact CD2-CB 3.84Å; L15-I20 HydrophobicContact CD2-CG2 3.64Å; L15-I20 PolarHBondContact O-N 3.48Å; L15-L22 HydrophobicContact CD1-CD1 3.61Å; L15-L22 HydrophobicContact CD1-CG 4.12Å; L15-L22 HydrophobicContact CD2-CD1 4.2Å; L15-L22 HydrophobicContact CD2-CD2 3.81Å; L15-L22 HydrophobicContact CD2-CG 3.9Å; L15-L41 HydrophobicContact CD2-CD2 3.89Å; L15-Y45 WeakPolarHBondContact CA-OH 3.46Å; L15-Y45 HydrophobicContact CD2-CE2 3.79Å; L15-Y45 HydrophobicContact CG-CE2 3.94Å; L15-Y45 PolarHBondContact N-OH 2.91Å; L15-I63 HydrophobicContact CD1-CD1 4.42Å; L15-I63 HydrophobicContact CD1-CG2 4.21Å |
| 16 | R | 90.1 | Very high | 88.6 | Confident | 194 Ų | 194 | 64.2 Ų | 64.2 | 73% | 0.732 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -73.3 | -43.2 | 176 | -71.2 | 171.1 | -176.6 | -177.5 | 2.7 | 112.2 | T12 Q13 F14 D18 R19 | T12-R16 VanDerWaalsContact O-CG 3.3Å; T12-R16 WeakPolarHBondContact O-CG 3.39Å; T12-R16 PolarHBondContact O-N 3.22Å; T12-R16 VanDerWaalsContact O-N 3.16Å; Q13-R16 WeakPolarHBondContact O-CA 3.48Å; Q13-R16 WeakPolarHBondContact O-CB 3.18Å; Q13-R16 PolarHBondContact O-N 3.38Å; F14-R16 PolarHBondContact O-N 3.45Å; R16-D18 VanDerWaalsContact C-N 3.33Å; R16-R19 PolarHBondContact O-N 3.35Å |
| 17 | E | 90.6 | Very high | 88.8 | Confident | 89 Ų | 89 | 66.2 Ų | 66.2 | 42% | 0.416 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 176.5 | -72.2 | 172.6 | -171 | 0 | 0 | 110.8 | Q13 F14 R19 R48 | Q13-E17 HydrophobicContact CG-CG 4.5Å; Q13-E17 WeakPolarHBondContact CG-OE1 2.91Å; Q13-E17 PolarHBondContact NE2-OE1 3.12Å; Q13-E17 WeakPolarHBondContact O-CG 3.47Å; Q13-E17 PolarHBondContact O-N 3.44Å; F14-E17 PolarHBondContact O-N 3.2Å; F14-E17 VanDerWaalsContact O-N 3.15Å; E17-R19 PolarHBondContact O-N 3.28Å; E17-R48 IonicContact OE2-CZ 3.94Å; E17-R48 IonicContact OE2-NH1 3.69Å; E17-R48 PolarHBondContact OE2-NH1 3.09Å; E17-R48 IonicContact OE2-NH2 2.78Å; E17-R48 PolarHBondContact OE2-NH2 3.42Å |
| 18 | D | 90.8 | Very high | 88.8 | Confident | 67 Ų | 67 | 65.9 Ų | 65.9 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -0.1 | -179 | -62.5 | -16.4 | 0 | 0 | 0 | 112.6 | F14 R16 I20 Y45 | F14-D18 WeakPolarHBondContact O-CB 2.88Å; F14-D18 PolarHBondContact O-N 3.22Å; R16-D18 VanDerWaalsContact C-N 3.33Å; D18-I20 HydrophobicContact CB-CD1 3.8Å; D18-I20 HydrophobicContact CB-CG1 3.93Å; D18-I20 PolarHBondContact O-N 2.87Å; D18-Y45 WeakPolarHBondContact OD2-CE1 3.32Å; D18-Y45 PolarHBondContact OD2-OH 3.22Å |
| 19 | R | 90.6 | Very high | 88.7 | Confident | 229 Ų | 229 | 66.7 Ų | 66.7 | 86% | 0.864 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 34.9 | -179.5 | -56.7 | -178.6 | -179.7 | 179.6 | 0.2 | 113.9 | L15 R16 E17 | L15-R19 CarbonylContact O-C 3.58Å; L15-R19 PolarHBondContact O-N 2.78Å; L15-R19 VanDerWaalsContact O-N 3.11Å; R16-R19 PolarHBondContact O-N 3.35Å; E17-R19 PolarHBondContact O-N 3.28Å |
| 20 | I | 91.1 | Very high | 88.4 | Confident | 29 Ų | 29 | 74.8 Ų | 74.8 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | trans | -86.5 | 131.1 | -177.6 | -66.4 | 175.7 | 0 | 0 | 0 | 110.8 | L15 D18 L22 Y27 L41 | L15-I20 HydrophobicContact CD2-CB 3.84Å; L15-I20 HydrophobicContact CD2-CG2 3.64Å; L15-I20 PolarHBondContact O-N 3.48Å; D18-I20 HydrophobicContact CB-CD1 3.8Å; D18-I20 HydrophobicContact CB-CG1 3.93Å; D18-I20 PolarHBondContact O-N 2.87Å; I20-L22 HydrophobicContact CG2-CD2 4.09Å; I20-Y27 HydrophobicContact CG2-CD2 4.02Å; I20-Y27 HydrophobicContact CG2-CE1 4.39Å; I20-Y27 HydrophobicContact CG2-CE2 3.49Å; I20-Y27 VanDerWaalsContact CG2-CE2 3.49Å; I20-L41 HydrophobicContact CD1-CD1 3.55Å; I20-L41 HydrophobicContact CD1-CD2 4.24Å; I20-L41 HydrophobicContact CG2-CD2 4.18Å | ||
| 21 | Q | 89.7 | Confident | 88 | Confident | 77 Ų | 77 | 79.4 Ų | 79.4 | 36% | 0.36 | 37% | 0.372 | S | S | . | . | trans | -111.5 | 100.4 | 174.7 | -65.5 | -175.6 | -13.4 | 0 | 0 | 109.4 | W23 K24 | Q21-W23 HydrophobicContact CB-CD2 4.17Å; Q21-W23 HydrophobicContact CB-CE3 4.32Å; Q21-W23 HydrophobicContact CB-CH2 3.99Å; Q21-W23 HydrophobicContact CB-CZ2 3.8Å; Q21-W23 HydrophobicContact CB-CZ3 4.23Å; Q21-W23 HydrophobicContact CG-CH2 3.77Å; Q21-W23 HydrophobicContact CG-CZ2 3.66Å; Q21-W23 HydrophobicContact CG-CZ3 4.43Å; Q21-W23 PolarHBondContact O-N 3.2Å; Q21-W23 VanDerWaalsContact O-N 3.14Å; Q21-K24 HydrophobicContact CB-CB 4.44Å; Q21-K24 HydrophobicContact CB-CD 4.25Å; Q21-K24 HydrophobicContact CB-CG 4.29Å; Q21-K24 PolarHBondContact O-N 3.26Å | ||
| 22 | L | 88.6 | Confident | 87.5 | Confident | 4 Ų | 4 | 84.4 Ų | 84.4 | 2% | 0.021 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.2 | -173.9 | -68.4 | 178.6 | 0 | 0 | 0 | 114 | L15 I20 K24 Y27 T28 L38 L41 I60 I63 R64 | L15-L22 HydrophobicContact CD1-CD1 3.61Å; L15-L22 HydrophobicContact CD1-CG 4.12Å; L15-L22 HydrophobicContact CD2-CD1 4.2Å; L15-L22 HydrophobicContact CD2-CD2 3.81Å; L15-L22 HydrophobicContact CD2-CG 3.9Å; I20-L22 HydrophobicContact CG2-CD2 4.09Å; L22-K24 PolarHBondContact O-N 2.82Å; L22-Y27 HydrophobicContact CD2-CD1 4.39Å; L22-Y27 HydrophobicContact CD2-CG 4.22Å; L22-Y27 WeakPolarHBondContact O-CB 2.99Å; L22-T28 PolarHBondContact O-OG1 3.28Å; L22-L38 HydrophobicContact CD2-CD1 3.79Å; L22-L41 HydrophobicContact CD2-CD2 3.8Å; L22-I60 HydrophobicContact CD1-CG2 4.02Å; L22-I60 HydrophobicContact CD2-CG2 4.16Å; L22-I63 HydrophobicContact CD1-CB 4.12Å; L22-I63 HydrophobicContact CD1-CG2 3.82Å; L22-R64 HydrophobicContact CB-CB 4.05Å; L22-R64 HydrophobicContact CB-CG 4.01Å; L22-R64 HydrophobicContact CD1-CB 4.16Å |
| 23 | W | 87.1 | Confident | 87.3 | Confident | 131 Ų | 131 | 89.1 Ų | 89.1 | 50% | 0.496 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 2.3 | 178.6 | 62.4 | 91.4 | 0 | 0 | 0 | 113.8 | Q21 A67 I68 | Q21-W23 HydrophobicContact CB-CD2 4.17Å; Q21-W23 HydrophobicContact CB-CE3 4.32Å; Q21-W23 HydrophobicContact CB-CH2 3.99Å; Q21-W23 HydrophobicContact CB-CZ2 3.8Å; Q21-W23 HydrophobicContact CB-CZ3 4.23Å; Q21-W23 HydrophobicContact CG-CH2 3.77Å; Q21-W23 HydrophobicContact CG-CZ2 3.66Å; Q21-W23 HydrophobicContact CG-CZ3 4.43Å; Q21-W23 PolarHBondContact O-N 3.2Å; Q21-W23 VanDerWaalsContact O-N 3.14Å; W23-A67 HydrophobicContact CD2-CB 4.46Å; W23-A67 HydrophobicContact CE3-CB 3.68Å; W23-A67 HydrophobicContact CZ3-CB 4.32Å; W23-I68 HydrophobicContact CB-CG1 4.03Å |
| 24 | K | 87.3 | Confident | 87.1 | Confident | 106 Ų | 106 | 89.4 Ų | 89.4 | 46% | 0.461 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -111.1 | 161.4 | 176.4 | -70.3 | -171.4 | 177 | 169.8 | 0 | 111.5 | Q21 L22 Y27 T28 | Q21-K24 HydrophobicContact CB-CB 4.44Å; Q21-K24 HydrophobicContact CB-CD 4.25Å; Q21-K24 HydrophobicContact CB-CG 4.29Å; Q21-K24 PolarHBondContact O-N 3.26Å; L22-K24 PolarHBondContact O-N 2.82Å; K24-Y27 PolarHBondContact O-N 2.93Å; K24-T28 PolarHBondContact O-N 3.48Å; K24-T28 VanDerWaalsContact O-N 3.14Å |
| 25 | P | 85.2 | Confident | 86.6 | Confident | 104 Ų | 104 | 89.3 Ų | 89.3 | 68% | 0.675 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 145.1 | 167.7 | -23.2 | 34.2 | 0 | 0 | 0 | 111.1 | ||
| 26 | P | 88 | Confident | 86.1 | Confident | 81 Ų | 81 | 96.2 Ų | 96.2 | 53% | 0.526 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -88 | 5 | 4.6 | 35.8 | -37.2 | 0 | 0 | 0 | 115 | A37 | P26-A37 HydrophobicContact CB-CB 3.87Å; P26-A37 HydrophobicContact CG-CB 3.72Å |
| 27 | Y | 87.5 | Confident | 85.9 | Confident | 45 Ų | 45 | 88.1 Ų | 88.1 | 18% | 0.176 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -27.2 | -172.9 | -52.3 | -71.9 | 0 | 0 | 0 | 113.6 | I20 L22 K24 G35 A37 L38 L41 | I20-Y27 HydrophobicContact CG2-CD2 4.02Å; I20-Y27 HydrophobicContact CG2-CE1 4.39Å; I20-Y27 HydrophobicContact CG2-CE2 3.49Å; I20-Y27 VanDerWaalsContact CG2-CE2 3.49Å; L22-Y27 HydrophobicContact CD2-CD1 4.39Å; L22-Y27 HydrophobicContact CD2-CG 4.22Å; L22-Y27 WeakPolarHBondContact O-CB 2.99Å; K24-Y27 PolarHBondContact O-N 2.93Å; Y27-G35 PolarHBondContact O-N 3.41Å; Y27-A37 HydrophobicContact CD1-CB 4.15Å; Y27-A37 HydrophobicContact CE1-CB 4.19Å; Y27-L38 HydrophobicContact CD1-CD1 4.38Å; Y27-L41 HydrophobicContact CD1-CD2 4.19Å; Y27-L41 HydrophobicContact CE1-CB 4.26Å; Y27-L41 HydrophobicContact CE1-CD2 3.81Å |
| 28 | T | 86.9 | Confident | 85.8 | Confident | 7 Ų | 7 | 84 Ų | 84 | 4% | 0.043 | 41% | 0.411 | C | S | . | . | B | Isolated β-bridge | trans | -128.6 | 131.8 | 174.2 | -65.1 | 0 | 0 | 0 | 0 | 109.3 | L22 K24 K32 K33 R64 I68 | L22-T28 PolarHBondContact O-OG1 3.28Å; K24-T28 PolarHBondContact O-N 3.48Å; K24-T28 VanDerWaalsContact O-N 3.14Å; T28-K32 HydrophobicContact CG2-CB 4.47Å; T28-K33 WeakPolarHBondContact CA-O 3.32Å; T28-R64 WeakPolarHBondContact OG1-CD 3.37Å; T28-R64 PolarHBondContact OG1-NH1 2.94Å; T28-I68 HydrophobicContact CG2-CD1 3.71Å |
| 29 | D | 84.2 | Confident | 85.6 | Confident | 62 Ų | 62 | 86.1 Ų | 86.1 | 33% | 0.332 | 42% | 0.418 | S | S | . | . | trans | -80.8 | 174.8 | 176 | 78.6 | -1.1 | 0 | 0 | 0 | 112.5 | N31 K32 K33 | D29-N31 PolarHBondContact O-N 3.2Å; D29-N31 VanDerWaalsContact O-N 3.15Å; D29-N31 VanDerWaalsContact OD1-CA 3.26Å; D29-N31 WeakPolarHBondContact OD1-CA 3.25Å; D29-N31 WeakPolarHBondContact OD1-CB 3.43Å; D29-N31 PolarHBondContact OD1-N 3.12Å; D29-K32 PolarHBondContact O-N 3.29Å; D29-K32 PolarHBondContact OD1-N 3.32Å; D29-K33 PolarHBondContact N-O 3.03Å; D29-K33 VanDerWaalsContact N-O 3.11Å; D29-K33 WeakPolarHBondContact OD1-CA 3.22Å; D29-K33 WeakPolarHBondContact OD1-CB 3.4Å; D29-K33 PolarHBondContact OD1-N 3.45Å | ||
| 30 | E | 79 | Confident | 85.5 | Confident | 195 Ų | 195 | 80.9 Ų | 80.9 | 91% | 0.911 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.4 | 177.8 | -62.7 | -176.7 | 172 | 0 | 0 | 113.1 | K32 | E30-K32 VanDerWaalsContact C-N 3.33Š|
| 31 | N | 80.8 | Confident | 85.5 | Confident | 122 Ų | 122 | 79.7 Ų | 79.7 | 65% | 0.652 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 10.9 | 177.4 | -62.2 | -54.6 | 0 | 0 | 0 | 113.2 | D29 K33 | D29-N31 PolarHBondContact O-N 3.2Å; D29-N31 VanDerWaalsContact O-N 3.15Å; D29-N31 VanDerWaalsContact OD1-CA 3.26Å; D29-N31 WeakPolarHBondContact OD1-CA 3.25Å; D29-N31 WeakPolarHBondContact OD1-CB 3.43Å; D29-N31 PolarHBondContact OD1-N 3.12Å; N31-K33 HydrophobicContact CB-CD 4.39Å; N31-K33 HydrophobicContact CB-CG 4.2Å; N31-K33 PolarHBondContact O-N 2.93Å |
| 32 | K | 80.5 | Confident | 85.5 | Confident | 105 Ų | 105 | 76 Ų | 76 | 46% | 0.457 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 63.7 | 15.6 | -176.2 | -59.6 | 175.9 | 174.5 | -177.2 | 0 | 114.7 | T28 D29 E30 R64 I68 T72 | T28-K32 HydrophobicContact CG2-CB 4.47Å; D29-K32 PolarHBondContact O-N 3.29Å; D29-K32 PolarHBondContact OD1-N 3.32Å; E30-K32 VanDerWaalsContact C-N 3.33Å; K32-R64 PolarHBondContact O-NH1 3.28Å; K32-I68 HydrophobicContact CB-CD1 4.49Å; K32-I68 HydrophobicContact CB-CG2 4.11Å; K32-I68 HydrophobicContact CD-CG2 3.76Å; K32-I68 HydrophobicContact CG-CG2 4.12Å; K32-T72 PolarHBondContact NZ-OG1 3.5Å |
| 33 | K | 84.1 | Confident | 85.6 | Confident | 136 Ų | 136 | 81.1 Ų | 81.1 | 59% | 0.591 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 166 | 176.7 | -58.9 | -178.5 | 177 | 177.6 | 0 | 111.9 | T28 D29 N31 G35 R64 | T28-K33 WeakPolarHBondContact CA-O 3.32Å; D29-K33 PolarHBondContact N-O 3.03Å; D29-K33 VanDerWaalsContact N-O 3.11Å; D29-K33 WeakPolarHBondContact OD1-CA 3.22Å; D29-K33 WeakPolarHBondContact OD1-CB 3.4Å; D29-K33 PolarHBondContact OD1-N 3.45Å; N31-K33 HydrophobicContact CB-CD 4.39Å; N31-K33 HydrophobicContact CB-CG 4.2Å; N31-K33 PolarHBondContact O-N 2.93Å; K33-G35 PolarHBondContact O-N 3.22Å; K33-R64 PolarHBondContact O-NH1 3.46Å |
| 34 | V | 84.1 | Confident | 85.7 | Confident | 70 Ų | 70 | 80 Ų | 80 | 42% | 0.424 | 41% | 0.406 | S | S | . | . | B | Isolated β-bridge | trans | -63.1 | 122.9 | 179.2 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | L38 E61 | V34-L38 HydrophobicContact CG1-CB 4.04Å; V34-L38 HydrophobicContact CG1-CD2 3.71Å; V34-E61 VanDerWaalsContact CG2-CD 3.45Å; V34-E61 WeakPolarHBondContact CG2-OE1 3.21Å; V34-E61 VanDerWaalsContact CG2-OE2 3.32Å; V34-E61 WeakPolarHBondContact CG2-OE2 3.39Å |
| 35 | G | 81.3 | Confident | 85.9 | Confident | 11 Ų | 11 | 75 Ų | 75 | 11% | 0.113 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 151 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y27 K33 A37 L38 | Y27-G35 PolarHBondContact O-N 3.41Å; K33-G35 PolarHBondContact O-N 3.22Å; G35-A37 PolarHBondContact O-N 3.1Å; G35-L38 VanDerWaalsContact O-CB 3.32Å; G35-L38 WeakPolarHBondContact O-CB 3.36Å; G35-L38 PolarHBondContact O-N 3.22Å; G35-L38 VanDerWaalsContact O-N 3.09Å |
| 36 | L | 80.8 | Confident | 86.2 | Confident | 156 Ų | 156 | 70.4 Ų | 70.4 | 82% | 0.817 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -31.4 | -178.6 | -69.5 | 168.6 | 0 | 0 | 0 | 113 | L38 K39 | L36-L38 PolarHBondContact O-N 3.3Å; L36-L38 VanDerWaalsContact O-N 3.12Å; L36-K39 PolarHBondContact O-N 2.82Å |
| 37 | A | 86.3 | Confident | 86.2 | Confident | 24 Ų | 24 | 72 Ų | 72 | 20% | 0.198 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.6 | -13.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | P26 Y27 G35 K39 L41 | P26-A37 HydrophobicContact CB-CB 3.87Å; P26-A37 HydrophobicContact CG-CB 3.72Å; Y27-A37 HydrophobicContact CD1-CB 4.15Å; Y27-A37 HydrophobicContact CE1-CB 4.19Å; G35-A37 PolarHBondContact O-N 3.1Å; A37-K39 VanDerWaalsContact C-N 3.33Å; A37-L41 PolarHBondContact O-N 2.75Å |
| 38 | L | 87.7 | Confident | 86.1 | Confident | 2 Ų | 2 | 75.8 Ų | 75.8 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.2 | -35.7 | 176.9 | -158.5 | 79 | 0 | 0 | 0 | 111.9 | L22 Y27 V34 G35 L36 L41 A42 I60 E61 | L22-L38 HydrophobicContact CD2-CD1 3.79Å; Y27-L38 HydrophobicContact CD1-CD1 4.38Å; V34-L38 HydrophobicContact CG1-CB 4.04Å; V34-L38 HydrophobicContact CG1-CD2 3.71Å; G35-L38 VanDerWaalsContact O-CB 3.32Å; G35-L38 WeakPolarHBondContact O-CB 3.36Å; G35-L38 PolarHBondContact O-N 3.22Å; G35-L38 VanDerWaalsContact O-N 3.09Å; L36-L38 PolarHBondContact O-N 3.3Å; L36-L38 VanDerWaalsContact O-N 3.12Å; L38-L41 PolarHBondContact O-N 3.08Å; L38-A42 WeakPolarHBondContact O-CB 3.17Å; L38-A42 PolarHBondContact O-N 2.67Å; L38-I60 HydrophobicContact CD1-CG2 3.54Å; L38-I60 HydrophobicContact CD2-CG2 4.22Å; L38-I60 HydrophobicContact CG-CG2 3.84Å; L38-E61 HydrophobicContact CD2-CB 4.28Å; L38-E61 WeakPolarHBondContact CD2-OE2 3.5Å |
| 39 | K | 86.6 | Confident | 86 | Confident | 113 Ų | 113 | 76.1 Ų | 76.1 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.9 | -43.9 | 179.7 | -70.3 | -170.8 | 173 | -168.6 | 0 | 111.6 | L36 A37 L41 A42 K43 E57 | L36-K39 PolarHBondContact O-N 2.82Å; A37-K39 VanDerWaalsContact C-N 3.33Å; K39-L41 VanDerWaalsContact C-N 3.27Å; K39-L41 PolarHBondContact O-N 2.94Å; K39-A42 WeakPolarHBondContact O-CB 3.44Å; K39-A42 PolarHBondContact O-N 2.89Å; K39-A42 VanDerWaalsContact O-N 3.17Å; K39-K43 PolarHBondContact O-N 2.94Å; K39-E57 WeakPolarHBondContact CE-OE1 3.06Å |
| 40 | D | 88.6 | Confident | 85.8 | Confident | 118 Ų | 118 | 77 Ų | 77 | 63% | 0.631 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.3 | -40.1 | 176.4 | -60.5 | -33.2 | 0 | 0 | 0 | 111 | K43 Q44 | D40-K43 PolarHBondContact O-N 3.34Å; D40-Q44 PolarHBondContact O-N 3.39Å |
| 41 | L | 90.5 | Very high | 85.9 | Confident | 5 Ų | 5 | 69.3 Ų | 69.3 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.1 | -41.5 | 174.8 | -173.4 | 66.4 | 0 | 0 | 0 | 112.3 | L15 I20 L22 Y27 A37 L38 K39 K43 Q44 Y45 | L15-L41 HydrophobicContact CD2-CD2 3.89Å; I20-L41 HydrophobicContact CD1-CD1 3.55Å; I20-L41 HydrophobicContact CD1-CD2 4.24Å; I20-L41 HydrophobicContact CG2-CD2 4.18Å; L22-L41 HydrophobicContact CD2-CD2 3.8Å; Y27-L41 HydrophobicContact CD1-CD2 4.19Å; Y27-L41 HydrophobicContact CE1-CB 4.26Å; Y27-L41 HydrophobicContact CE1-CD2 3.81Å; A37-L41 PolarHBondContact O-N 2.75Å; L38-L41 PolarHBondContact O-N 3.08Å; K39-L41 VanDerWaalsContact C-N 3.27Å; K39-L41 PolarHBondContact O-N 2.94Å; L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 3.07Å; L41-Q44 PolarHBondContact O-N 2.95Å; L41-Y45 HydrophobicContact CD1-CD2 4.36Å; L41-Y45 HydrophobicContact CD1-CE1 4.02Å; L41-Y45 HydrophobicContact CD1-CE2 3.81Å; L41-Y45 HydrophobicContact CD2-CE2 4.13Å; L41-Y45 HydrophobicContact CG-CD2 4.16Å; L41-Y45 HydrophobicContact CG-CE2 3.83Å; L41-Y45 PolarHBondContact O-N 3.44Å |
| 42 | A | 90.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L38 K39 Y45 S46 V56 E57 I60 | L38-A42 WeakPolarHBondContact O-CB 3.17Å; L38-A42 PolarHBondContact O-N 2.67Å; K39-A42 WeakPolarHBondContact O-CB 3.44Å; K39-A42 PolarHBondContact O-N 2.89Å; K39-A42 VanDerWaalsContact O-N 3.17Å; A42-Y45 PolarHBondContact O-N 3.39Å; A42-S46 WeakPolarHBondContact O-CB 3.39Å; A42-S46 PolarHBondContact O-N 3.03Å; A42-V56 HydrophobicContact CB-CG1 4.18Å; A42-V56 WeakPolarHBondContact O-CG1 3.46Å; A42-E57 HydrophobicContact CB-CB 3.91Å; A42-E57 HydrophobicContact CB-CG 4.37Å; A42-I60 HydrophobicContact CB-CD1 4.04Å |
| 43 | K | 90.1 | Very high | 86.4 | Confident | 110 Ų | 110 | 65.2 Ų | 65.2 | 48% | 0.478 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 174.7 | -171.4 | 176.2 | -178.6 | 179 | 0 | 112.2 | K39 D40 L41 Y45 S46 D47 | K39-K43 PolarHBondContact O-N 2.94Å; D40-K43 PolarHBondContact O-N 3.34Å; L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 3.07Å; K43-Y45 VanDerWaalsContact C-N 3.31Å; K43-Y45 PolarHBondContact O-N 2.88Å; K43-S46 VanDerWaalsContact O-CB 3.32Å; K43-S46 WeakPolarHBondContact O-CB 3.49Å; K43-S46 PolarHBondContact O-N 3.16Å; K43-S46 VanDerWaalsContact O-N 3.12Å; K43-D47 PolarHBondContact O-N 3.14Å |
| 44 | Q | 91.1 | Very high | 86.5 | Confident | 108 Ų | 108 | 63.5 Ų | 63.5 | 51% | 0.505 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.2 | -44.5 | 177.5 | -176 | -173.7 | -0.5 | 0 | 0 | 112.3 | D40 L41 R48 | D40-Q44 PolarHBondContact O-N 3.39Å; L41-Q44 PolarHBondContact O-N 2.95Å; Q44-R48 PolarHBondContact O-N 3.07Å |
| 45 | Y | 91 | Very high | 86.6 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -75.7 | -29.7 | 178.1 | -69.2 | -14.8 | 0 | 0 | 0 | 113.2 | L11 F14 L15 D18 L41 A42 K43 R48 L49 I60 | L11-Y45 HydrophobicContact CD2-CD2 3.71Å; L11-Y45 HydrophobicContact CD2-CG 4.08Å; F14-Y45 HydrophobicContact CB-CD1 4.2Å; F14-Y45 HydrophobicContact CB-CE1 3.74Å; F14-Y45 HydrophobicContact CB-CE2 4.13Å; F14-Y45 AromaticContact CD2-CD1 3.91Å; F14-Y45 HydrophobicContact CD2-CD1 3.91Å; F14-Y45 HydrophobicContact CD2-CE1 4.27Å; F14-Y45 HydrophobicContact CD2-CG 4.14Å; F14-Y45 HydrophobicContact CG-CE1 4.45Å; F14-Y45 PolarHBondContact O-OH 3.15Å; L15-Y45 WeakPolarHBondContact CA-OH 3.46Å; L15-Y45 HydrophobicContact CD2-CE2 3.79Å; L15-Y45 HydrophobicContact CG-CE2 3.94Å; L15-Y45 PolarHBondContact N-OH 2.91Å; D18-Y45 WeakPolarHBondContact OD2-CE1 3.32Å; D18-Y45 PolarHBondContact OD2-OH 3.22Å; L41-Y45 HydrophobicContact CD1-CD2 4.36Å; L41-Y45 HydrophobicContact CD1-CE1 4.02Å; L41-Y45 HydrophobicContact CD1-CE2 3.81Å; L41-Y45 HydrophobicContact CD2-CE2 4.13Å; L41-Y45 HydrophobicContact CG-CD2 4.16Å; L41-Y45 HydrophobicContact CG-CE2 3.83Å; L41-Y45 PolarHBondContact O-N 3.44Å; A42-Y45 PolarHBondContact O-N 3.39Å; K43-Y45 VanDerWaalsContact C-N 3.31Å; K43-Y45 PolarHBondContact O-N 2.88Å; Y45-R48 PolarHBondContact O-N 2.66Å; Y45-L49 VanDerWaalsContact O-CB 3.31Å; Y45-L49 WeakPolarHBondContact O-CB 3.39Å; Y45-L49 WeakPolarHBondContact O-CG 3.21Å; Y45-L49 PolarHBondContact O-N 3.11Å; Y45-I60 HydrophobicContact CD2-CD1 3.72Å; Y45-I60 HydrophobicContact CE2-CD1 4.41Å |
| 46 | S | 90.3 | Very high | 86.9 | Confident | 8 Ų | 8 | 65 Ų | 65 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 172.1 | -164.7 | 0 | 0 | 0 | 0 | 111.2 | A42 K43 L49 E50 C51 E53 | A42-S46 WeakPolarHBondContact O-CB 3.39Å; A42-S46 PolarHBondContact O-N 3.03Å; K43-S46 VanDerWaalsContact O-CB 3.32Å; K43-S46 WeakPolarHBondContact O-CB 3.49Å; K43-S46 PolarHBondContact O-N 3.16Å; K43-S46 VanDerWaalsContact O-N 3.12Å; S46-L49 PolarHBondContact O-N 3.14Å; S46-E50 WeakPolarHBondContact O-CA 3.27Å; S46-E50 PolarHBondContact O-N 2.66Å; S46-C51 PolarHBondContact O-N 3.44Å; S46-C51 PolarHBondContact OG-O 2.83Å; S46-E53 VanDerWaalsContact OG-CA 3.24Å; S46-E53 WeakPolarHBondContact OG-CA 3.41Å; S46-E53 PolarHBondContact OG-N 3.11Å; S46-E53 VanDerWaalsContact OG-N 3.09Å |
| 47 | D | 87.9 | Confident | 87.3 | Confident | 114 Ų | 114 | 59.9 Ų | 59.9 | 61% | 0.61 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.9 | -41.7 | 177 | -66.2 | -22.9 | 0 | 0 | 0 | 110.8 | K43 L49 | K43-D47 PolarHBondContact O-N 3.14Å; D47-L49 PolarHBondContact O-N 3.06Å |
| 48 | R | 87.1 | Confident | 87.4 | Confident | 125 Ų | 125 | 65.5 Ų | 65.5 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.6 | -29.6 | 178.8 | -170.1 | 173.2 | 176.4 | -165.8 | -7.2 | 113.8 | F14 E17 Q44 Y45 | F14-R48 HydrophobicContact CE2-CB 4.1Å; F14-R48 HydrophobicContact CE2-CG 3.69Å; F14-R48 HydrophobicContact CZ-CG 3.87Å; E17-R48 IonicContact OE2-CZ 3.94Å; E17-R48 IonicContact OE2-NH1 3.69Å; E17-R48 PolarHBondContact OE2-NH1 3.09Å; E17-R48 IonicContact OE2-NH2 2.78Å; E17-R48 PolarHBondContact OE2-NH2 3.42Å; Q44-R48 PolarHBondContact O-N 3.07Å; Y45-R48 PolarHBondContact O-N 2.66Å |
| 49 | L | 83 | Confident | 87.4 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 7% | 0.073 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -98.7 | -5.2 | -178.5 | -70.8 | 174.2 | 0 | 0 | 0 | 114 | L7 K10 L11 F14 Y45 S46 D47 C51 | L7-L49 HydrophobicContact CD1-CD1 3.68Å; K10-L49 HydrophobicContact CB-CD2 4.22Å; K10-L49 HydrophobicContact CG-CD2 4.45Å; L11-L49 HydrophobicContact CD2-CD1 3.65Å; L11-L49 HydrophobicContact CG-CD1 4.12Å; F14-L49 HydrophobicContact CD2-CG 4.43Å; F14-L49 HydrophobicContact CE2-CD1 4.18Å; F14-L49 HydrophobicContact CE2-CD2 3.51Å; F14-L49 HydrophobicContact CE2-CG 3.59Å; F14-L49 HydrophobicContact CZ-CD2 3.66Å; F14-L49 HydrophobicContact CZ-CG 4.26Å; Y45-L49 VanDerWaalsContact O-CB 3.31Å; Y45-L49 WeakPolarHBondContact O-CB 3.39Å; Y45-L49 WeakPolarHBondContact O-CG 3.21Å; Y45-L49 PolarHBondContact O-N 3.11Å; S46-L49 PolarHBondContact O-N 3.14Å; D47-L49 PolarHBondContact O-N 3.06Å; L49-C51 VanDerWaalsContact C-N 3.32Å; L49-C51 HydrophobicContact CB-CB 4.47Å; L49-C51 WeakPolarHBondContact CB-SG 3.23Å; L49-C51 PolarHBondContact O-N 3.07Å |
| 50 | E | 81.2 | Confident | 87.6 | Confident | 82 Ų | 82 | 60.4 Ų | 60.4 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 50.4 | -173.4 | -58.9 | 177.9 | 171.2 | 0 | 0 | 112.1 | S46 T598 | S46-E50 WeakPolarHBondContact O-CA 3.27Å; S46-E50 PolarHBondContact O-N 2.66Å; E50-T598 VanDerWaalsContact OE2-CA 3.23Å; E50-T598 WeakPolarHBondContact OE2-CA 3.41Å; E50-T598 PolarHBondContact OE2-N 3.29Å; E50-T598 VanDerWaalsContact OE2-N 3.11Å |
| 51 | C | 80.8 | Confident | 87.6 | Confident | 32 Ų | 32 | 57 Ų | 57 | 22% | 0.216 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -129.9 | -179.8 | -178.2 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | S46 L49 V56 | S46-C51 PolarHBondContact O-N 3.44Å; S46-C51 PolarHBondContact OG-O 2.83Å; L49-C51 VanDerWaalsContact C-N 3.32Å; L49-C51 HydrophobicContact CB-CB 4.47Å; L49-C51 WeakPolarHBondContact CB-SG 3.23Å; L49-C51 PolarHBondContact O-N 3.07Å; C51-V56 WeakPolarHBondContact SG-CG2 3.47Å |
| 52 | C | 85 | Confident | 87.5 | Confident | 61 Ų | 61 | 59.6 Ų | 59.6 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | trans | -75.4 | 125.1 | -177.4 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | N54 E55 V56 | C52-N54 PolarHBondContact O-N 3.16Å; C52-E55 HydrophobicContact CB-CB 4.23Å; C52-E55 HydrophobicContact CB-CG 3.93Å; C52-E55 WeakPolarHBondContact O-CB 3.33Å; C52-E55 PolarHBondContact O-N 3.41Å; C52-V56 PolarHBondContact O-N 3.47Å; C52-V56 VanDerWaalsContact O-N 3.1Å | ||
| 53 | E | 86.6 | Confident | 87.4 | Confident | 80 Ų | 80 | 60.7 Ų | 60.7 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -54.2 | -41.9 | -180 | -175 | -179.3 | 168.9 | 0 | 0 | 111.6 | S46 E55 V56 E57 | S46-E53 VanDerWaalsContact OG-CA 3.24Å; S46-E53 WeakPolarHBondContact OG-CA 3.41Å; S46-E53 PolarHBondContact OG-N 3.11Å; S46-E53 VanDerWaalsContact OG-N 3.09Å; E53-E55 VanDerWaalsContact C-N 3.27Å; E53-E55 PolarHBondContact O-N 3.02Å; E53-V56 PolarHBondContact O-N 3.27Å; E53-E57 WeakPolarHBondContact O-CB 3.31Å; E53-E57 PolarHBondContact O-N 2.83Å |
| 54 | N | 85.7 | Confident | 87.4 | Confident | 101 Ų | 101 | 56 Ų | 56 | 54% | 0.54 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.8 | -31.6 | 178.3 | -67.2 | -30 | 0 | 0 | 0 | 113.2 | C52 K58 | C52-N54 PolarHBondContact O-N 3.16Å; N54-K58 WeakPolarHBondContact O-CD 3.35Å; N54-K58 WeakPolarHBondContact O-CG 3.47Å; N54-K58 PolarHBondContact O-N 3.18Å |
| 55 | E | 86.1 | Confident | 87.2 | Confident | 111 Ų | 111 | 53 Ų | 53 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -76.5 | -41.3 | 176.8 | -67.1 | -175.1 | 162 | 0 | 0 | 110.8 | L7 C52 E53 K58 V59 | L7-E55 HydrophobicContact CD2-CB 4.41Å; C52-E55 HydrophobicContact CB-CB 4.23Å; C52-E55 HydrophobicContact CB-CG 3.93Å; C52-E55 WeakPolarHBondContact O-CB 3.33Å; C52-E55 PolarHBondContact O-N 3.41Å; E53-E55 VanDerWaalsContact C-N 3.27Å; E53-E55 PolarHBondContact O-N 3.02Å; E55-K58 PolarHBondContact O-N 3.31Å; E55-V59 WeakPolarHBondContact O-CG2 3Å; E55-V59 PolarHBondContact O-N 2.8Å |
| 56 | V | 88 | Confident | 86.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 175.7 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | L11 A42 C51 C52 E53 K58 V59 I60 | L11-V56 HydrophobicContact CD1-CG1 4.17Å; L11-V56 HydrophobicContact CD2-CG1 3.75Å; A42-V56 HydrophobicContact CB-CG1 4.18Å; A42-V56 WeakPolarHBondContact O-CG1 3.46Å; C51-V56 WeakPolarHBondContact SG-CG2 3.47Å; C52-V56 PolarHBondContact O-N 3.47Å; C52-V56 VanDerWaalsContact O-N 3.1Å; E53-V56 PolarHBondContact O-N 3.27Å; V56-K58 VanDerWaalsContact C-N 3.33Å; V56-K58 PolarHBondContact O-N 2.96Å; V56-V59 PolarHBondContact O-N 2.93Å; V56-I60 HydrophobicContact CG1-CD1 3.57Å; V56-I60 HydrophobicContact CG1-CG1 4.03Å; V56-I60 WeakPolarHBondContact O-CB 3.49Å; V56-I60 WeakPolarHBondContact O-CG1 3.21Å; V56-I60 PolarHBondContact O-N 3.35Å |
| 57 | E | 88.7 | Confident | 86.7 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 23% | 0.234 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.9 | -48 | 178.6 | -173 | -178.3 | -179.8 | 0 | 0 | 110.7 | K39 A42 E53 V59 I60 E61 | K39-E57 WeakPolarHBondContact CE-OE1 3.06Å; A42-E57 HydrophobicContact CB-CB 3.91Å; A42-E57 HydrophobicContact CB-CG 4.37Å; E53-E57 WeakPolarHBondContact O-CB 3.31Å; E53-E57 PolarHBondContact O-N 2.83Å; E57-V59 PolarHBondContact O-N 3.05Å; E57-I60 PolarHBondContact O-N 3.48Å; E57-E61 VanDerWaalsContact O-CB 3.25Å; E57-E61 WeakPolarHBondContact O-CB 3.3Å; E57-E61 PolarHBondContact O-N 2.97Å |
| 58 | K | 88.6 | Confident | 86.6 | Confident | 142 Ų | 142 | 53 Ų | 53 | 62% | 0.617 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.7 | -45.9 | 176.5 | -74.5 | 172.7 | -174.3 | 178.9 | 0 | 112.2 | N54 E55 V56 E61 E62 | N54-K58 WeakPolarHBondContact O-CD 3.35Å; N54-K58 WeakPolarHBondContact O-CG 3.47Å; N54-K58 PolarHBondContact O-N 3.18Å; E55-K58 PolarHBondContact O-N 3.31Å; V56-K58 VanDerWaalsContact C-N 3.33Å; V56-K58 PolarHBondContact O-N 2.96Å; K58-E61 PolarHBondContact O-N 3.44Å; K58-E62 WeakPolarHBondContact O-CG 3.42Å; K58-E62 PolarHBondContact O-N 3.27Å |
| 59 | V | 88.4 | Confident | 86.4 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.1 | -39.6 | -177.4 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | L7 Q8 L11 E55 V56 E57 E61 E62 I63 | L7-V59 HydrophobicContact CD2-CG2 3.95Å; L7-V59 HydrophobicContact CG-CG2 4.38Å; Q8-V59 HydrophobicContact CB-CG1 3.83Å; Q8-V59 HydrophobicContact CG-CG1 4.05Å; L11-V59 HydrophobicContact CD1-CB 3.81Å; L11-V59 HydrophobicContact CD1-CG1 3.61Å; E55-V59 WeakPolarHBondContact O-CG2 3Å; E55-V59 PolarHBondContact O-N 2.8Å; V56-V59 PolarHBondContact O-N 2.93Å; E57-V59 PolarHBondContact O-N 3.05Å; V59-E61 VanDerWaalsContact C-N 3.28Å; V59-E61 PolarHBondContact O-N 2.96Å; V59-E62 WeakPolarHBondContact O-CB 3.14Å; V59-E62 PolarHBondContact O-N 3.06Å; V59-I63 HydrophobicContact CG1-CD1 4.21Å; V59-I63 VanDerWaalsContact O-CG1 3.27Å; V59-I63 WeakPolarHBondContact O-CG1 3.46Å; V59-I63 PolarHBondContact O-N 3.47Å |
| 60 | I | 89.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 173.3 | -70.5 | 179 | 0 | 0 | 0 | 110.3 | L11 L22 L38 A42 Y45 V56 E57 I63 R64 | L11-I60 HydrophobicContact CD1-CG1 4.03Å; L11-I60 HydrophobicContact CD2-CD1 4.36Å; L11-I60 HydrophobicContact CD2-CG1 4.28Å; L22-I60 HydrophobicContact CD1-CG2 4.02Å; L22-I60 HydrophobicContact CD2-CG2 4.16Å; L38-I60 HydrophobicContact CD1-CG2 3.54Å; L38-I60 HydrophobicContact CD2-CG2 4.22Å; L38-I60 HydrophobicContact CG-CG2 3.84Å; A42-I60 HydrophobicContact CB-CD1 4.04Å; Y45-I60 HydrophobicContact CD2-CD1 3.72Å; Y45-I60 HydrophobicContact CE2-CD1 4.41Å; V56-I60 HydrophobicContact CG1-CD1 3.57Å; V56-I60 HydrophobicContact CG1-CG1 4.03Å; V56-I60 WeakPolarHBondContact O-CB 3.49Å; V56-I60 WeakPolarHBondContact O-CG1 3.21Å; V56-I60 PolarHBondContact O-N 3.35Å; E57-I60 PolarHBondContact O-N 3.48Å; I60-I63 PolarHBondContact O-N 2.92Å; I60-R64 WeakPolarHBondContact O-CB 3.34Å; I60-R64 PolarHBondContact O-N 3.27Å |
| 61 | E | 89.1 | Confident | 86.5 | Confident | 46 Ų | 46 | 52.6 Ų | 52.6 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64 | -41.1 | 176.8 | 178.8 | 55.8 | -164.8 | 0 | 0 | 112 | V34 L38 E57 K58 V59 I63 R64 C65 | V34-E61 VanDerWaalsContact CG2-CD 3.45Å; V34-E61 WeakPolarHBondContact CG2-OE1 3.21Å; V34-E61 VanDerWaalsContact CG2-OE2 3.32Å; V34-E61 WeakPolarHBondContact CG2-OE2 3.39Å; L38-E61 HydrophobicContact CD2-CB 4.28Å; L38-E61 WeakPolarHBondContact CD2-OE2 3.5Å; E57-E61 VanDerWaalsContact O-CB 3.25Å; E57-E61 WeakPolarHBondContact O-CB 3.3Å; E57-E61 PolarHBondContact O-N 2.97Å; K58-E61 PolarHBondContact O-N 3.44Å; V59-E61 VanDerWaalsContact C-N 3.28Å; V59-E61 PolarHBondContact O-N 2.96Å; E61-I63 VanDerWaalsContact C-N 3.35Å; E61-I63 PolarHBondContact O-N 3.39Å; E61-R64 PolarHBondContact O-N 3.01Å; E61-R64 IonicContact OE1-CZ 3.84Å; E61-R64 IonicContact OE1-NE 2.75Å; E61-R64 PolarHBondContact OE1-NE 3.19Å; E61-R64 IonicContact OE1-NH2 2.73Å; E61-R64 PolarHBondContact OE1-NH2 2.97Å; E61-R64 IonicContact OE2-CZ 2.72Å; E61-R64 IonicContact OE2-NE 3.48Å; E61-R64 PolarHBondContact OE2-NE 3.44Å; E61-R64 IonicContact OE2-NH2 3.16Å; E61-R64 PolarHBondContact OE2-NH2 2.99Å; E61-C65 WeakPolarHBondContact O-CB 3.42Å; E61-C65 PolarHBondContact O-N 3.39Å; E61-C65 PolarHBondContact O-SG 2.86Å; E61-C65 PolarHBondContact OE1-SG 3.15Å |
| 62 | E | 87.8 | Confident | 86.7 | Confident | 61 Ų | 61 | 53 Ų | 53 | 29% | 0.285 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 171.5 | -74.8 | 178.3 | -165.3 | 0 | 0 | 112 | K4 K58 V59 K66 | K4-E62 WeakPolarHBondContact CE-OE1 3.48Å; K4-E62 WeakPolarHBondContact CE-OE2 3.26Å; K4-E62 VanDerWaalsContact NZ-CD 3.26Å; K4-E62 IonicContact NZ-OE1 3.95Å; K4-E62 PolarHBondContact NZ-OE1 3.42Å; K4-E62 IonicContact NZ-OE2 2.68Å; K4-E62 PolarHBondContact NZ-OE2 3.41Å; K58-E62 WeakPolarHBondContact O-CG 3.42Å; K58-E62 PolarHBondContact O-N 3.27Å; V59-E62 WeakPolarHBondContact O-CB 3.14Å; V59-E62 PolarHBondContact O-N 3.06Å; E62-K66 WeakPolarHBondContact O-CB 3.17Å; E62-K66 VanDerWaalsContact O-CG 3.29Å; E62-K66 WeakPolarHBondContact O-CG 3.43Å; E62-K66 PolarHBondContact O-N 3.41Å |
| 63 | I | 88.4 | Confident | 86.5 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 176.5 | -64.2 | 164.8 | 0 | 0 | 0 | 110.3 | Q8 L11 L15 L22 V59 I60 E61 K66 A67 | Q8-I63 HydrophobicContact CG-CD1 3.97Å; Q8-I63 HydrophobicContact CG-CG1 3.81Å; L11-I63 HydrophobicContact CB-CD1 3.97Å; L15-I63 HydrophobicContact CD1-CD1 4.42Å; L15-I63 HydrophobicContact CD1-CG2 4.21Å; L22-I63 HydrophobicContact CD1-CB 4.12Å; L22-I63 HydrophobicContact CD1-CG2 3.82Å; V59-I63 HydrophobicContact CG1-CD1 4.21Å; V59-I63 VanDerWaalsContact O-CG1 3.27Å; V59-I63 WeakPolarHBondContact O-CG1 3.46Å; V59-I63 PolarHBondContact O-N 3.47Å; I60-I63 PolarHBondContact O-N 2.92Å; E61-I63 VanDerWaalsContact C-N 3.35Å; E61-I63 PolarHBondContact O-N 3.39Å; I63-K66 PolarHBondContact O-N 2.82Å; I63-A67 WeakPolarHBondContact O-CB 3.39Å; I63-A67 PolarHBondContact O-N 2.95Å |
| 64 | R | 90.8 | Very high | 86.4 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 4% | 0.038 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 177.6 | -173.3 | -172.2 | 76.4 | 78.1 | 10.5 | 111 | L22 T28 K32 K33 I60 E61 K66 A67 I68 | L22-R64 HydrophobicContact CB-CB 4.05Å; L22-R64 HydrophobicContact CB-CG 4.01Å; L22-R64 HydrophobicContact CD1-CB 4.16Å; T28-R64 WeakPolarHBondContact OG1-CD 3.37Å; T28-R64 PolarHBondContact OG1-NH1 2.94Å; K32-R64 PolarHBondContact O-NH1 3.28Å; K33-R64 PolarHBondContact O-NH1 3.46Å; I60-R64 WeakPolarHBondContact O-CB 3.34Å; I60-R64 PolarHBondContact O-N 3.27Å; E61-R64 PolarHBondContact O-N 3.01Å; E61-R64 IonicContact OE1-CZ 3.84Å; E61-R64 IonicContact OE1-NE 2.75Å; E61-R64 PolarHBondContact OE1-NE 3.19Å; E61-R64 IonicContact OE1-NH2 2.73Å; E61-R64 PolarHBondContact OE1-NH2 2.97Å; E61-R64 IonicContact OE2-CZ 2.72Å; E61-R64 IonicContact OE2-NE 3.48Å; E61-R64 PolarHBondContact OE2-NE 3.44Å; E61-R64 IonicContact OE2-NH2 3.16Å; E61-R64 PolarHBondContact OE2-NH2 2.99Å; R64-K66 PolarHBondContact O-N 3.43Å; R64-A67 PolarHBondContact O-N 3.41Å; R64-A67 VanDerWaalsContact O-N 3.16Å; R64-I68 HydrophobicContact CG-CD1 3.98Å; R64-I68 WeakPolarHBondContact O-CG1 3.5Å; R64-I68 PolarHBondContact O-N 2.92Å |
| 65 | C | 86.6 | Confident | 86.3 | Confident | 45 Ų | 45 | 49.3 Ų | 49.3 | 30% | 0.304 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.3 | -48.7 | 178.1 | -73.1 | 0 | 0 | 0 | 0 | 111.3 | E61 A67 I68 E69 | E61-C65 WeakPolarHBondContact O-CB 3.42Å; E61-C65 PolarHBondContact O-N 3.39Å; E61-C65 PolarHBondContact O-SG 2.86Å; E61-C65 PolarHBondContact OE1-SG 3.15Å; C65-A67 VanDerWaalsContact C-N 3.31Å; C65-A67 PolarHBondContact O-N 3.41Å; C65-I68 PolarHBondContact O-N 2.77Å; C65-E69 WeakPolarHBondContact O-CB 3.25Å; C65-E69 WeakPolarHBondContact O-CG 3.33Å; C65-E69 PolarHBondContact O-N 2.91Å |
| 66 | K | 85.1 | Confident | 86.2 | Confident | 77 Ų | 77 | 47.4 Ų | 47.4 | 34% | 0.335 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.7 | -39.5 | 176.6 | -74.3 | 176.4 | -177.2 | 177.9 | 0 | 112.6 | E62 I63 R64 R70 | E62-K66 WeakPolarHBondContact O-CB 3.17Å; E62-K66 VanDerWaalsContact O-CG 3.29Å; E62-K66 WeakPolarHBondContact O-CG 3.43Å; E62-K66 PolarHBondContact O-N 3.41Å; I63-K66 PolarHBondContact O-N 2.82Å; R64-K66 PolarHBondContact O-N 3.43Å; K66-R70 WeakPolarHBondContact O-CB 3.43Å; K66-R70 WeakPolarHBondContact O-CG 3.15Å; K66-R70 PolarHBondContact O-N 3.19Å |
| 67 | A | 86.2 | Confident | 86.2 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 20% | 0.198 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W23 I63 R64 C65 G71 | W23-A67 HydrophobicContact CD2-CB 4.46Å; W23-A67 HydrophobicContact CE3-CB 3.68Å; W23-A67 HydrophobicContact CZ3-CB 4.32Å; I63-A67 WeakPolarHBondContact O-CB 3.39Å; I63-A67 PolarHBondContact O-N 2.95Å; R64-A67 PolarHBondContact O-N 3.41Å; R64-A67 VanDerWaalsContact O-N 3.16Å; C65-A67 VanDerWaalsContact C-N 3.31Å; C65-A67 PolarHBondContact O-N 3.41Å; A67-G71 PolarHBondContact O-N 2.87Å |
| 68 | I | 85.9 | Confident | 86.1 | Confident | 22 Ų | 22 | 59 Ų | 59 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.9 | -42.4 | 176.8 | -67.7 | 169 | 0 | 0 | 0 | 111.2 | W23 T28 K32 R64 C65 G71 T72 | W23-I68 HydrophobicContact CB-CG1 4.03Å; T28-I68 HydrophobicContact CG2-CD1 3.71Å; K32-I68 HydrophobicContact CB-CD1 4.49Å; K32-I68 HydrophobicContact CB-CG2 4.11Å; K32-I68 HydrophobicContact CD-CG2 3.76Å; K32-I68 HydrophobicContact CG-CG2 4.12Å; R64-I68 HydrophobicContact CG-CD1 3.98Å; R64-I68 WeakPolarHBondContact O-CG1 3.5Å; R64-I68 PolarHBondContact O-N 2.92Å; C65-I68 PolarHBondContact O-N 2.77Å; I68-G71 PolarHBondContact O-N 3.29Å; I68-T72 WeakPolarHBondContact O-CB 3.27Å; I68-T72 PolarHBondContact O-N 3.28Å; I68-T72 PolarHBondContact O-OG1 3.47Å |
| 69 | E | 82.6 | Confident | 86 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 175.9 | -74.7 | -178 | 159.9 | 0 | 0 | 110.9 | C65 G71 T72 G73 K98 | C65-E69 WeakPolarHBondContact O-CB 3.25Å; C65-E69 WeakPolarHBondContact O-CG 3.33Å; C65-E69 PolarHBondContact O-N 2.91Å; E69-G71 PolarHBondContact O-N 3.46Å; E69-T72 PolarHBondContact O-N 2.74Å; E69-G73 PolarHBondContact O-N 3.28Å; E69-K98 WeakPolarHBondContact OE1-CE 3.27Å; E69-K98 IonicContact OE1-NZ 3.49Å; E69-K98 PolarHBondContact OE1-NZ 2.97Å |
| 70 | R | 83.2 | Confident | 85.8 | Confident | 119 Ų | 119 | 61.1 Ų | 61.1 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 174.4 | -77 | -179.8 | 176.5 | 179.6 | -0.3 | 112.9 | K66 G73 N74 E86 | K66-R70 WeakPolarHBondContact O-CB 3.43Å; K66-R70 WeakPolarHBondContact O-CG 3.15Å; K66-R70 PolarHBondContact O-N 3.19Å; R70-G73 PolarHBondContact O-N 3.24Å; R70-N74 PolarHBondContact O-N 3Å; R70-N74 PolarHBondContact O-ND2 2.72Å; R70-E86 IonicContact NH2-OE2 2.78Å; R70-E86 PolarHBondContact NH2-OE2 2.97Å |
| 71 | G | 83.7 | Confident | 85.5 | Confident | 30 Ų | 30 | 63 Ų | 63 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A67 I68 E69 G73 N74 D75 | A67-G71 PolarHBondContact O-N 2.87Å; I68-G71 PolarHBondContact O-N 3.29Å; E69-G71 PolarHBondContact O-N 3.46Å; G71-G73 VanDerWaalsContact C-N 3.35Å; G71-G73 PolarHBondContact O-N 2.67Å; G71-N74 WeakPolarHBondContact O-CB 3.32Å; G71-N74 PolarHBondContact O-N 3.2Å; G71-D75 PolarHBondContact O-N 2.94Å; G71-D75 VanDerWaalsContact O-N 3.14Å |
| 72 | T | 83.5 | Confident | 85.4 | Confident | 41 Ų | 41 | 63.5 Ų | 63.5 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 178.3 | -49.9 | 0 | 0 | 0 | 0 | 111.5 | K32 I68 E69 D75 N76 | K32-T72 PolarHBondContact NZ-OG1 3.5Å; I68-T72 WeakPolarHBondContact O-CB 3.27Å; I68-T72 PolarHBondContact O-N 3.28Å; I68-T72 PolarHBondContact O-OG1 3.47Å; E69-T72 PolarHBondContact O-N 2.74Å; T72-D75 PolarHBondContact O-N 2.89Å; T72-N76 WeakPolarHBondContact O-CB 3.2Å; T72-N76 PolarHBondContact O-N 2.64Å |
| 73 | G | 82 | Confident | 85.4 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 6% | 0.062 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | E69 R70 G71 D75 N76 Y77 H149 | E69-G73 PolarHBondContact O-N 3.28Å; R70-G73 PolarHBondContact O-N 3.24Å; G71-G73 VanDerWaalsContact C-N 3.35Å; G71-G73 PolarHBondContact O-N 2.67Å; G73-D75 PolarHBondContact O-N 2.98Å; G73-N76 PolarHBondContact O-N 2.87Å; G73-Y77 WeakPolarHBondContact O-CB 3.41Å; G73-Y77 PolarHBondContact O-N 3.27Å; G73-H149 PolarHBondContact O-CE1 2.87Å; G73-H149 VanDerWaalsContact O-CE1 3.25Å; G73-H149 PolarHBondContact O-NE2 3.47Å |
| 74 | N | 84.6 | Confident | 85.3 | Confident | 66 Ų | 66 | 60 Ų | 60 | 35% | 0.353 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 176.5 | -71.4 | -30.2 | 0 | 0 | 0 | 112 | R70 G71 Y77 R78 H149 N150 | R70-N74 PolarHBondContact O-N 3Å; R70-N74 PolarHBondContact O-ND2 2.72Å; G71-N74 WeakPolarHBondContact O-CB 3.32Å; G71-N74 PolarHBondContact O-N 3.2Å; N74-Y77 PolarHBondContact O-N 3.43Å; N74-R78 WeakPolarHBondContact O-CG 3.3Å; N74-R78 PolarHBondContact O-N 2.96Å; N74-H149 PolarHBondContact N-NE2 3.29Å; N74-H149 PolarHBondContact OD1-CD2 3.26Å; N74-H149 PolarHBondContact OD1-NE2 2.72Å; N74-N150 PolarHBondContact OD1-ND2 2.87Å |
| 75 | D | 84.1 | Confident | 85.2 | Confident | 91 Ų | 91 | 59.5 Ų | 59.5 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 178.3 | -66.5 | -26.7 | 0 | 0 | 0 | 111.2 | G71 T72 G73 R78 T79 | G71-D75 PolarHBondContact O-N 2.94Å; G71-D75 VanDerWaalsContact O-N 3.14Å; T72-D75 PolarHBondContact O-N 2.89Å; G73-D75 PolarHBondContact O-N 2.98Å; D75-R78 PolarHBondContact O-N 3.01Å; D75-T79 WeakPolarHBondContact O-CG2 3.39Å; D75-T79 PolarHBondContact O-N 3.15Å; D75-T79 VanDerWaalsContact O-N 3.11Å; D75-T79 PolarHBondContact O-OG1 2.99Å |
| 76 | N | 83.7 | Confident | 85.2 | Confident | 71 Ų | 71 | 59 Ų | 59 | 38% | 0.38 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 174 | -79.3 | -1.5 | 0 | 0 | 0 | 111.9 | T72 G73 T79 T80 | T72-N76 WeakPolarHBondContact O-CB 3.2Å; T72-N76 PolarHBondContact O-N 2.64Å; G73-N76 PolarHBondContact O-N 2.87Å; N76-T79 WeakPolarHBondContact CA-OG1 3.42Å; N76-T79 PolarHBondContact O-N 3.18Å; N76-T79 PolarHBondContact O-OG1 3.46Å; N76-T80 WeakPolarHBondContact O-CB 3.47Å; N76-T80 PolarHBondContact O-N 3.24Å; N76-T80 PolarHBondContact O-OG1 2.9Å |
| 77 | Y | 87.1 | Confident | 85.2 | Confident | 85 Ų | 85 | 55.3 Ų | 55.3 | 33% | 0.333 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.9 | 179 | -115.4 | 0 | 0 | 0 | 111.8 | G73 N74 T79 G81 I82 A83 L105 H149 | G73-Y77 WeakPolarHBondContact O-CB 3.41Å; G73-Y77 PolarHBondContact O-N 3.27Å; N74-Y77 PolarHBondContact O-N 3.43Å; Y77-T79 VanDerWaalsContact C-N 3.28Å; Y77-T79 PolarHBondContact O-N 3.47Å; Y77-G81 VanDerWaalsContact O-CA 3.24Å; Y77-G81 WeakPolarHBondContact O-CA 3.43Å; Y77-G81 PolarHBondContact O-N 3.32Å; Y77-I82 WeakPolarHBondContact CA-O 3.43Å; Y77-I82 WeakPolarHBondContact CB-O 3.45Å; Y77-I82 WeakPolarHBondContact CD2-O 3.26Å; Y77-A83 HydrophobicContact CD2-CB 4.14Å; Y77-A83 HydrophobicContact CE2-CB 4.11Å; Y77-L105 HydrophobicContact CE2-CD1 4.29Å; Y77-H149 HydrophobicContact CD1-CB 3.92Å; Y77-H149 AromaticContact CD1-CG 3.95Å; Y77-H149 HydrophobicContact CD2-CB 4.32Å; Y77-H149 HydrophobicContact CE1-CB 4Å; Y77-H149 HydrophobicContact CE2-CB 4.4Å; Y77-H149 HydrophobicContact CG-CB 4.08Å; Y77-H149 AromaticContact CG-CG 3.83Å; Y77-H149 AromaticContact CG-ND1 3.76Å |
| 78 | R | 86.4 | Confident | 85 | Confident | 210 Ų | 210 | 55.3 Ų | 55.3 | 79% | 0.792 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.7 | -33.3 | 177 | -75.3 | 175.5 | 175.9 | -170.3 | -1.3 | 113.3 | N74 D75 | N74-R78 WeakPolarHBondContact O-CG 3.3Å; N74-R78 PolarHBondContact O-N 2.96Å; D75-R78 PolarHBondContact O-N 3.01Å |
| 79 | T | 87.4 | Confident | 84.8 | Confident | 110 Ų | 110 | 54.6 Ų | 54.6 | 68% | 0.675 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -90.7 | -38.2 | -175.5 | 46.5 | 0 | 0 | 0 | 0 | 113.4 | D75 N76 Y77 | D75-T79 WeakPolarHBondContact O-CG2 3.39Å; D75-T79 PolarHBondContact O-N 3.15Å; D75-T79 VanDerWaalsContact O-N 3.11Å; D75-T79 PolarHBondContact O-OG1 2.99Å; N76-T79 WeakPolarHBondContact CA-OG1 3.42Å; N76-T79 PolarHBondContact O-N 3.18Å; N76-T79 PolarHBondContact O-OG1 3.46Å; Y77-T79 VanDerWaalsContact C-N 3.28Å; Y77-T79 PolarHBondContact O-N 3.47Å |
| 80 | T | 84.8 | Confident | 84.3 | Confident | 83 Ų | 83 | 52.2 Ų | 52.2 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -114.5 | -14.7 | -171.2 | 67 | 0 | 0 | 0 | 0 | 114.2 | N76 I82 | N76-T80 WeakPolarHBondContact O-CB 3.47Å; N76-T80 PolarHBondContact O-N 3.24Å; N76-T80 PolarHBondContact O-OG1 2.9Å; T80-I82 PolarHBondContact O-N 2.94Å; T80-I82 PolarHBondContact OG1-N 3.49Å |
| 81 | G | 83.4 | Confident | 83.6 | Confident | 40 Ų | 40 | 49.1 Ų | 49.1 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | trans | 72.1 | 9.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y77 | Y77-G81 VanDerWaalsContact O-CA 3.24Å; Y77-G81 WeakPolarHBondContact O-CA 3.43Å; Y77-G81 PolarHBondContact O-N 3.32Å | ||
| 82 | I | 86.6 | Confident | 82.7 | Confident | 55 Ų | 55 | 53.7 Ų | 53.7 | 28% | 0.282 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 119.6 | 177.8 | -60 | 173.8 | 0 | 0 | 0 | 109.6 | Y77 T80 E102 | Y77-I82 WeakPolarHBondContact CA-O 3.43Å; Y77-I82 WeakPolarHBondContact CB-O 3.45Å; Y77-I82 WeakPolarHBondContact CD2-O 3.26Å; T80-I82 PolarHBondContact O-N 2.94Å; T80-I82 PolarHBondContact OG1-N 3.49Å; I82-E102 HydrophobicContact CG2-CB 3.88Å |
| 83 | A | 87.4 | Confident | 82 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 146.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y77 E102 T103 L105 H149 | Y77-A83 HydrophobicContact CD2-CB 4.14Å; Y77-A83 HydrophobicContact CE2-CB 4.11Å; A83-E102 CarbonylContact O-C 3.59Å; A83-E102 WeakPolarHBondContact O-CA 3.46Å; A83-T103 WeakPolarHBondContact CA-O 3.42Å; A83-T103 WeakPolarHBondContact CB-O 3.39Å; A83-T103 PolarHBondContact N-O 3.17Å; A83-T103 PolarHBondContact O-N 3.31Å; A83-T103 VanDerWaalsContact O-O 3.04Å; A83-L105 HydrophobicContact CB-CD1 4.36Å; A83-L105 HydrophobicContact CB-CD2 3.59Å; A83-L105 HydrophobicContact CB-CG 3.86Å; A83-H149 HydrophobicContact CB-CB 4.31Å |
| 84 | T | 86.6 | Confident | 81 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 133.2 | 173.9 | -46.6 | 0 | 0 | 0 | 0 | 108.8 | L100 L101 H149 N150 | T84-L100 HydrophobicContact CG2-CB 4.11Å; T84-L100 HydrophobicContact CG2-CD2 4.04Å; T84-L100 HydrophobicContact CG2-CG 4.47Å; T84-L101 CarbonylContact C-O 3.6Å; T84-L101 WeakPolarHBondContact CA-O 3.45Å; T84-H149 PolarHBondContact N-ND1 3.2Å; T84-H149 VanDerWaalsContact N-ND1 3.14Å; T84-H149 PolarHBondContact OG1-CE1 3.22Å; T84-N150 VanDerWaalsContact O-CA 3.24Å; T84-N150 WeakPolarHBondContact O-CA 3.42Å; T84-N150 PolarHBondContact O-N 3.1Å |
| 85 | I | 87.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129.1 | 177.8 | -59.7 | 178.8 | 0 | 0 | 0 | 108.2 | V87 L100 L101 T103 L112 L142 V147 V151 A153 | I85-V87 HydrophobicContact CG2-CG2 4.23Å; I85-L100 WeakPolarHBondContact O-CA 3.45Å; I85-L101 PolarHBondContact N-O 2.93Å; I85-L101 PolarHBondContact O-N 2.93Å; I85-T103 HydrophobicContact CD1-CG2 3.55Å; I85-T103 HydrophobicContact CG1-CG2 4.26Å; I85-L112 HydrophobicContact CD1-CD1 3.86Å; I85-L112 HydrophobicContact CD1-CD2 4.11Å; I85-L142 HydrophobicContact CD1-CD1 4.37Å; I85-V147 HydrophobicContact CD1-CG1 4.33Å; I85-V151 HydrophobicContact CG1-CG1 4.27Å; I85-V151 HydrophobicContact CG2-CG1 4.21Å; I85-A153 HydrophobicContact CG2-CB 3.57Å |
| 86 | E | 86.6 | Confident | 77.9 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 16% | 0.159 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 107.9 | 175.9 | -169.3 | 174.2 | -174.4 | 0 | 0 | 109.4 | R70 F88 N99 L100 V151 K152 A153 | R70-E86 IonicContact NH2-OE2 2.78Å; R70-E86 PolarHBondContact NH2-OE2 2.97Å; E86-F88 HydrophobicContact CB-CE2 4.38Å; E86-F88 HydrophobicContact CG-CE2 3.78Å; E86-F88 HydrophobicContact CG-CZ 4.26Å; E86-N99 CarbonylContact C-O 3.5Å; E86-N99 WeakPolarHBondContact CA-O 3.36Å; E86-L100 HydrophobicContact CB-CD2 4.13Å; E86-L100 HydrophobicContact CG-CD2 4.19Å; E86-V151 PolarHBondContact N-O 3.5Å; E86-K152 HydrophobicContact CB-CG 4.5Å; E86-K152 CarbonylContact O-C 3.6Å; E86-K152 WeakPolarHBondContact O-CA 3.1Å; E86-A153 PolarHBondContact O-N 2.88Å |
| 87 | V | 86.7 | Confident | 76.5 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 113.1 | -171.6 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | I85 L89 N99 L101 I116 F120 A153 V155 | I85-V87 HydrophobicContact CG2-CG2 4.23Å; V87-L89 HydrophobicContact CG1-CD2 3.93Å; V87-L89 HydrophobicContact CG1-CG 4.43Å; V87-L89 PolarHBondContact O-N 2.92Å; V87-N99 PolarHBondContact N-O 3.41Å; V87-N99 WeakPolarHBondContact O-CB 3.25Å; V87-L101 HydrophobicContact CG2-CB 3.88Å; V87-I116 HydrophobicContact CG1-CD1 4.49Å; V87-I116 HydrophobicContact CG1-CG2 4.38Å; V87-I116 HydrophobicContact CG2-CD1 4.39Å; V87-I116 HydrophobicContact CG2-CG1 4.46Å; V87-F120 HydrophobicContact CB-CE2 3.97Å; V87-F120 HydrophobicContact CB-CZ 4.09Å; V87-F120 HydrophobicContact CG1-CD2 4.34Å; V87-F120 HydrophobicContact CG1-CE2 3.86Å; V87-F120 HydrophobicContact CG1-CZ 4.35Å; V87-F120 HydrophobicContact CG2-CE2 4.03Å; V87-F120 HydrophobicContact CG2-CZ 4.36Å; V87-A153 CarbonylContact C-O 3.42Å; V87-A153 WeakPolarHBondContact CA-O 3.44Å; V87-V155 HydrophobicContact CG1-CG2 3.43Å; V87-V155 VanDerWaalsContact CG1-CG2 3.43Å |
| 88 | F | 81.4 | Confident | 75.1 | Confident | 25 Ų | 25 | 72.1 Ų | 72.1 | 11% | 0.11 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 106.4 | 176.1 | -72.3 | -98.5 | 0 | 0 | 0 | 110.5 | E86 K152 A153 V155 Q296 E298 C299 | E86-F88 HydrophobicContact CB-CE2 4.38Å; E86-F88 HydrophobicContact CG-CE2 3.78Å; E86-F88 HydrophobicContact CG-CZ 4.26Å; F88-K152 HydrophobicContact CD2-CB 4.14Å; F88-K152 HydrophobicContact CE2-CB 3.79Å; F88-K152 HydrophobicContact CE2-CD 3.72Å; F88-K152 HydrophobicContact CE2-CG 3.71Å; F88-K152 HydrophobicContact CZ-CD 4.09Å; F88-K152 HydrophobicContact CZ-CG 4.49Å; F88-A153 PolarHBondContact N-O 3.32Å; F88-V155 PolarHBondContact O-N 3.44Å; F88-Q296 PolarHBondContact O-NE2 3.19Å; F88-E298 HydrophobicContact CE1-CB 3.94Å; F88-E298 HydrophobicContact CZ-CB 4.41Å; F88-C299 WeakPolarHBondContact CB-SG 3.29Å; F88-C299 WeakPolarHBondContact CD2-SG 3.4Å; F88-C299 WeakPolarHBondContact CG-SG 3.46Å |
| 89 | L | 80.3 | Confident | 74.6 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | trans | -82.2 | 156.5 | -178.6 | -61.7 | 172.1 | 0 | 0 | 0 | 112.4 | V87 L93 F120 L122 V155 Q296 | V87-L89 HydrophobicContact CG1-CD2 3.93Å; V87-L89 HydrophobicContact CG1-CG 4.43Å; V87-L89 PolarHBondContact O-N 2.92Å; L89-L93 HydrophobicContact CB-CB 4.31Å; L89-F120 HydrophobicContact CD1-CB 4.35Å; L89-F120 HydrophobicContact CD1-CD1 3.54Å; L89-F120 HydrophobicContact CD1-CE1 3.99Å; L89-F120 HydrophobicContact CD1-CG 3.99Å; L89-F120 HydrophobicContact CD2-CB 4.06Å; L89-F120 HydrophobicContact CD2-CD1 4.25Å; L89-F120 HydrophobicContact CD2-CD2 4.11Å; L89-F120 HydrophobicContact CD2-CG 3.87Å; L89-F120 HydrophobicContact CG-CD1 4.4Å; L89-L122 HydrophobicContact CD2-CD1 3.93Å; L89-V155 HydrophobicContact CD2-CB 4.4Å; L89-V155 HydrophobicContact CD2-CG2 4.38Å; L89-Q296 PolarHBondContact O-NE2 2.78Å | ||
| 90 | P | 73.8 | Confident | 74.3 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | trans | -54.2 | 151.1 | 169.6 | -21.9 | 30.5 | 0 | 0 | 0 | 112.4 | R92 L93 K94 V155 E157 | P90-R92 VanDerWaalsContact C-N 3.26Å; P90-R92 PolarHBondContact O-N 2.96Å; P90-R92 VanDerWaalsContact O-N 3.09Å; P90-L93 PolarHBondContact O-N 3.25Å; P90-K94 PolarHBondContact O-N 2.97Å; P90-V155 WeakPolarHBondContact CD-O 3.44Å; P90-E157 HydrophobicContact CB-CB 4.25Å; P90-E157 HydrophobicContact CG-CB 3.48Å; P90-E157 VanDerWaalsContact CG-CB 3.48Å | ||
| 91 | P | 67.6 | Low | 74.3 | Confident | 54 Ų | 54 | 58.7 Ų | 58.7 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -49.7 | -39 | -176.2 | -29.7 | 35.7 | 0 | 0 | 0 | 115.4 | L93 K94 E295 | P91-L93 VanDerWaalsContact C-N 3.27Å; P91-L93 PolarHBondContact O-N 3.39Å; P91-K94 WeakPolarHBondContact O-CB 3.44Å; P91-K94 PolarHBondContact O-N 3.33Å; P91-E295 WeakPolarHBondContact CB-OE2 3.45Å; P91-E295 HydrophobicContact CG-CB 4.19Å; P91-E295 HydrophobicContact CG-CG 4.06Å; P91-E295 WeakPolarHBondContact CG-OE2 3.47Å |
| 92 | R | 65.7 | Low | 74.6 | Confident | 126 Ų | 126 | 62.4 Ų | 62.4 | 48% | 0.475 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -63.2 | -30.5 | 179.7 | -63.8 | -172.3 | -174.9 | 120.5 | 10.8 | 114.1 | P90 K159 S161 | P90-R92 VanDerWaalsContact C-N 3.26Å; P90-R92 PolarHBondContact O-N 2.96Å; P90-R92 VanDerWaalsContact O-N 3.09Å; R92-K159 PolarHBondContact NH1-O 3.49Å; R92-S161 PolarHBondContact NE-OG 3.11Å; R92-S161 PolarHBondContact NH2-OG 3.27Å |
| 93 | L | 67.1 | Low | 74.7 | Confident | 45 Ų | 45 | 59.9 Ų | 59.9 | 24% | 0.236 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -100.7 | 6.3 | -174.7 | -65 | 170.4 | 0 | 0 | 0 | 112.5 | L89 P90 P91 K95 L122 | L89-L93 HydrophobicContact CB-CB 4.31Å; P90-L93 PolarHBondContact O-N 3.25Å; P91-L93 VanDerWaalsContact C-N 3.27Å; P91-L93 PolarHBondContact O-N 3.39Å; L93-K95 PolarHBondContact O-N 2.94Å; L93-L122 HydrophobicContact CD1-CD1 4.4Å; L93-L122 HydrophobicContact CD1-CD2 3.19Å; L93-L122 HydrophobicContact CD1-CG 3.88Å |
| 94 | K | 61.9 | Low | 74.7 | Confident | 69 Ų | 69 | 66.6 Ų | 66.6 | 30% | 0.3 | 30% | 0.304 | S | S | . | . | trans | -66.4 | 76.1 | 169.7 | -68.5 | 177.5 | -176.8 | 166.6 | 0 | 109.5 | M1 P90 P91 E295 | M1-K94 HydrophobicContact CE-CD 3.88Å; M1-K94 HydrophobicContact SD-CD 3.86Å; M1-K94 PolarHBondContact SD-NZ 3.49Å; P90-K94 PolarHBondContact O-N 2.97Å; P91-K94 WeakPolarHBondContact O-CB 3.44Å; P91-K94 PolarHBondContact O-N 3.33Å; K94-E295 IonicContact NZ-OE2 2.69Å; K94-E295 PolarHBondContact NZ-OE2 3.14Å | ||
| 95 | K | 53.9 | Low | 74.7 | Confident | 137 Ų | 137 | 67.1 Ų | 67.1 | 60% | 0.596 | 31% | 0.306 | S | S | * | . | trans | -82.5 | 156 | 160.7 | -68.1 | -178.7 | 178.7 | 174.3 | 0 | 108 | L93 R97 | L93-K95 PolarHBondContact O-N 2.94Å; K95-R97 HydrophobicContact CB-CG 4.22Å; K95-R97 PolarHBondContact O-N 3.34Å | ||
| 96 | D | 49.8 | Very low | 74.7 | Confident | 179 Ų | 179 | 72.6 Ų | 72.6 | 96% | 0.957 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -64.1 | 23.8 | 172.7 | -67.9 | -42.9 | 0 | 0 | 0 | 113.9 | ||
| 97 | R | 53.2 | Low | 74.8 | Confident | 170 Ų | 170 | 71.4 Ų | 71.4 | 64% | 0.642 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -81.8 | 151.6 | 177.9 | -71.5 | -173.4 | 176.3 | -174 | -1.8 | 110.3 | K95 N99 | K95-R97 HydrophobicContact CB-CG 4.22Å; K95-R97 PolarHBondContact O-N 3.34Å; R97-N99 PolarHBondContact O-N 2.98Å; R97-N99 VanDerWaalsContact O-N 3.09Å; R97-N99 PolarHBondContact O-OD1 3.4Å |
| 98 | K | 59.3 | Low | 75 | Confident | 147 Ų | 147 | 73.3 Ų | 73.3 | 64% | 0.639 | 34% | 0.338 | S | S | * | . | trans | -61.9 | 114 | 174.9 | -61.3 | -167.8 | -177.4 | -155.8 | 0 | 109.2 | E69 L100 | E69-K98 WeakPolarHBondContact OE1-CE 3.27Å; E69-K98 IonicContact OE1-NZ 3.49Å; E69-K98 PolarHBondContact OE1-NZ 2.97Å; K98-L100 PolarHBondContact O-N 2.84Å | ||
| 99 | N | 75 | Confident | 75.3 | Confident | 48 Ų | 48 | 72.1 Ų | 72.1 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | trans | -77.9 | 34.1 | 176.1 | -77.4 | -10.3 | 0 | 0 | 0 | 111.9 | E86 V87 R97 | E86-N99 CarbonylContact C-O 3.5Å; E86-N99 WeakPolarHBondContact CA-O 3.36Å; V87-N99 PolarHBondContact N-O 3.41Å; V87-N99 WeakPolarHBondContact O-CB 3.25Å; R97-N99 PolarHBondContact O-N 2.98Å; R97-N99 VanDerWaalsContact O-N 3.09Å; R97-N99 PolarHBondContact O-OD1 3.4Å | ||
| 100 | L | 80.4 | Confident | 75.6 | Confident | 63 Ų | 63 | 78.9 Ų | 78.9 | 33% | 0.33 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.5 | -175.9 | -63.8 | 174.8 | 0 | 0 | 0 | 109.2 | T84 I85 E86 K98 | T84-L100 HydrophobicContact CG2-CB 4.11Å; T84-L100 HydrophobicContact CG2-CD2 4.04Å; T84-L100 HydrophobicContact CG2-CG 4.47Å; I85-L100 WeakPolarHBondContact O-CA 3.45Å; E86-L100 HydrophobicContact CB-CD2 4.13Å; E86-L100 HydrophobicContact CG-CD2 4.19Å; K98-L100 PolarHBondContact O-N 2.84Å |
| 101 | L | 86.7 | Confident | 76.2 | Confident | 11 Ų | 11 | 82.5 Ų | 82.5 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.5 | 176.7 | -174.4 | 77.3 | 0 | 0 | 0 | 109.8 | T84 I85 V87 L112 K115 I116 T119 | T84-L101 CarbonylContact C-O 3.6Å; T84-L101 WeakPolarHBondContact CA-O 3.45Å; I85-L101 PolarHBondContact N-O 2.93Å; I85-L101 PolarHBondContact O-N 2.93Å; V87-L101 HydrophobicContact CG2-CB 3.88Å; L101-L112 HydrophobicContact CD2-CD1 3.54Å; L101-K115 HydrophobicContact CD2-CB 4.26Å; L101-I116 HydrophobicContact CD2-CD1 4.35Å; L101-I116 HydrophobicContact CD2-CG1 3.62Å; L101-T119 HydrophobicContact CD1-CG2 4.21Å; L101-T119 WeakPolarHBondContact CD1-OG1 3.29Å |
| 102 | E | 87.8 | Confident | 77.3 | Confident | 117 Ų | 117 | 80 Ų | 80 | 55% | 0.547 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 127.2 | 175.9 | -66.7 | -176.3 | 166.3 | 0 | 0 | 110.6 | I82 A83 | I82-E102 HydrophobicContact CG2-CB 3.88Å; A83-E102 CarbonylContact O-C 3.59Å; A83-E102 WeakPolarHBondContact O-CA 3.46Å |
| 103 | T | 88.8 | Confident | 78.3 | Confident | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 158.9 | 179.1 | -165.2 | 0 | 0 | 0 | 0 | 112.8 | A83 I85 I107 L112 K115 L142 | A83-T103 WeakPolarHBondContact CA-O 3.42Å; A83-T103 WeakPolarHBondContact CB-O 3.39Å; A83-T103 PolarHBondContact N-O 3.17Å; A83-T103 PolarHBondContact O-N 3.31Å; A83-T103 VanDerWaalsContact O-O 3.04Å; I85-T103 HydrophobicContact CD1-CG2 3.55Å; I85-T103 HydrophobicContact CG1-CG2 4.26Å; T103-I107 HydrophobicContact CG2-CD1 4.32Å; T103-I107 WeakPolarHBondContact OG1-CD1 3.44Å; T103-L112 HydrophobicContact CG2-CD1 4.28Å; T103-K115 PolarHBondContact OG1-NZ 3.18Å; T103-L142 HydrophobicContact CG2-CD1 4.1Å |
| 104 | R | 88 | Confident | 79.3 | Confident | 141 Ų | 141 | 75 Ų | 75 | 53% | 0.532 | 34% | 0.341 | S | S | . | . | trans | -81.8 | 150.5 | 171.1 | -56.6 | -173.1 | -177.9 | 167.4 | -7.3 | 109.8 | H106 I107 | R104-H106 WeakPolarHBondContact CD-CE1 3.15Å; R104-I107 HydrophobicContact CB-CG2 4.43Å; R104-I107 WeakPolarHBondContact O-CG1 3.31Å | ||
| 105 | L | 87.5 | Confident | 80.6 | Confident | 21 Ų | 21 | 75 Ų | 75 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -15.6 | -176.4 | -61.9 | 178.3 | 0 | 0 | 0 | 114.3 | Y77 A83 I107 L142 E143 V147 | Y77-L105 HydrophobicContact CE2-CD1 4.29Å; A83-L105 HydrophobicContact CB-CD1 4.36Å; A83-L105 HydrophobicContact CB-CD2 3.59Å; A83-L105 HydrophobicContact CB-CG 3.86Å; L105-I107 VanDerWaalsContact C-N 3.27Å; L105-I107 PolarHBondContact O-N 3.36Å; L105-L142 WeakPolarHBondContact O-CB 3.33Å; L105-L142 PolarHBondContact O-N 3.38Å; L105-E143 HydrophobicContact CB-CB 4.42Å; L105-E143 PolarHBondContact O-N 3.38Å; L105-E143 VanDerWaalsContact O-N 3.12Å; L105-V147 HydrophobicContact CD2-CG1 4.27Å |
| 106 | H | 86.8 | Confident | 82.2 | Confident | 115 Ų | 115 | 68.5 Ų | 68.5 | 53% | 0.532 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -4.2 | 177.7 | 59.5 | -106.9 | 0 | 0 | 0 | 114.2 | R104 | R104-H106 WeakPolarHBondContact CD-CE1 3.15Š|
| 107 | I | 90.1 | Very high | 83.9 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 5% | 0.046 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -70.7 | 158.1 | 177.4 | 72.4 | 164.7 | 0 | 0 | 0 | 110.8 | T103 R104 L105 E111 L112 K115 T141 L142 | T103-I107 HydrophobicContact CG2-CD1 4.32Å; T103-I107 WeakPolarHBondContact OG1-CD1 3.44Å; R104-I107 HydrophobicContact CB-CG2 4.43Å; R104-I107 WeakPolarHBondContact O-CG1 3.31Å; L105-I107 VanDerWaalsContact C-N 3.27Å; L105-I107 PolarHBondContact O-N 3.36Å; I107-E111 HydrophobicContact CB-CB 4.15Å; I107-E111 VanDerWaalsContact CB-OE2 3.26Å; I107-E111 WeakPolarHBondContact CB-OE2 3.48Å; I107-E111 HydrophobicContact CD1-CB 4.07Å; I107-E111 WeakPolarHBondContact CG2-OE2 3.35Å; I107-L112 HydrophobicContact CD1-CB 3.95Å; I107-K115 HydrophobicContact CD1-CD 4.4Å; I107-T141 CarbonylContact O-C 3.28Å; I107-T141 VanDerWaalsContact O-CA 3.29Å; I107-T141 WeakPolarHBondContact O-CA 3.22Å; I107-L142 HydrophobicContact CD1-CD1 3.95Å; I107-L142 HydrophobicContact CG1-CD1 3.53Å; I107-L142 HydrophobicContact CG1-CG 3.9Å; I107-L142 PolarHBondContact O-N 2.83Å |
| 108 | T | 90.4 | Very high | 85.5 | Confident | 39 Ų | 39 | 60.2 Ų | 60.2 | 24% | 0.239 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -76.8 | 158.8 | 174.5 | 62 | 0 | 0 | 0 | 0 | 112.5 | R110 E111 L112 K140 | T108-R110 PolarHBondContact O-N 2.96Å; T108-E111 PolarHBondContact N-OE1 3.36Å; T108-E111 PolarHBondContact O-N 2.96Å; T108-E111 VanDerWaalsContact O-N 3.17Å; T108-E111 WeakPolarHBondContact OG1-CG 3.49Å; T108-E111 PolarHBondContact OG1-N 2.98Å; T108-E111 PolarHBondContact OG1-OE1 2.71Å; T108-L112 PolarHBondContact O-N 3.01Å; T108-L112 VanDerWaalsContact O-N 3.1Å; T108-K140 WeakPolarHBondContact CA-O 3.36Å |
| 109 | G | 87 | Confident | 86.7 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.6 | -30.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R113 K140 | G109-R113 PolarHBondContact O-N 3.17Å; G109-R113 VanDerWaalsContact O-N 3.09Å; G109-K140 PolarHBondContact N-O 2.8Å |
| 110 | R | 86.7 | Confident | 87 | Confident | 150 Ų | 150 | 55.6 Ų | 55.6 | 57% | 0.566 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.2 | -49 | 173 | -173.9 | -177.9 | -65.6 | 178.4 | -0.8 | 111.6 | T108 L112 R113 S114 L138 | T108-R110 PolarHBondContact O-N 2.96Å; R110-L112 VanDerWaalsContact C-N 3.31Å; R110-L112 PolarHBondContact O-N 3.15Å; R110-R113 WeakPolarHBondContact O-CB 3.42Å; R110-R113 PolarHBondContact O-N 2.97Å; R110-R113 VanDerWaalsContact O-N 3.11Å; R110-S114 PolarHBondContact O-N 3.43Å; R110-S114 PolarHBondContact O-OG 2.97Å; R110-L138 HydrophobicContact CB-CB 4.3Å; R110-L138 PolarHBondContact N-O 3.34Å |
| 111 | E | 87.4 | Confident | 86.8 | Confident | 89 Ų | 89 | 56 Ų | 56 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 178.4 | -72.8 | 160 | -119.5 | 0 | 0 | 112.2 | I107 T108 R113 S114 K115 | I107-E111 HydrophobicContact CB-CB 4.15Å; I107-E111 VanDerWaalsContact CB-OE2 3.26Å; I107-E111 WeakPolarHBondContact CB-OE2 3.48Å; I107-E111 HydrophobicContact CD1-CB 4.07Å; I107-E111 WeakPolarHBondContact CG2-OE2 3.35Å; T108-E111 PolarHBondContact N-OE1 3.36Å; T108-E111 PolarHBondContact O-N 2.96Å; T108-E111 VanDerWaalsContact O-N 3.17Å; T108-E111 WeakPolarHBondContact OG1-CG 3.49Å; T108-E111 PolarHBondContact OG1-N 2.98Å; T108-E111 PolarHBondContact OG1-OE1 2.71Å; E111-R113 VanDerWaalsContact C-N 3.29Å; E111-R113 PolarHBondContact O-N 3.35Å; E111-S114 PolarHBondContact O-N 3.45Å; E111-K115 WeakPolarHBondContact O-CG 3.37Å; E111-K115 PolarHBondContact O-N 2.88Å |
| 112 | L | 89.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 174.9 | 178.8 | 60.7 | 0 | 0 | 0 | 111 | I85 L101 T103 I107 T108 R110 K115 I116 I131 L136 L142 | I85-L112 HydrophobicContact CD1-CD1 3.86Å; I85-L112 HydrophobicContact CD1-CD2 4.11Å; L101-L112 HydrophobicContact CD2-CD1 3.54Å; T103-L112 HydrophobicContact CG2-CD1 4.28Å; I107-L112 HydrophobicContact CD1-CB 3.95Å; T108-L112 PolarHBondContact O-N 3.01Å; T108-L112 VanDerWaalsContact O-N 3.1Å; R110-L112 VanDerWaalsContact C-N 3.31Å; R110-L112 PolarHBondContact O-N 3.15Å; L112-K115 PolarHBondContact O-N 2.67Å; L112-I116 HydrophobicContact CD1-CD1 4.04Å; L112-I116 HydrophobicContact CD1-CG1 4.31Å; L112-I116 HydrophobicContact CG-CD1 4.01Å; L112-I116 WeakPolarHBondContact O-CG1 3.42Å; L112-I116 PolarHBondContact O-N 2.99Å; L112-I131 HydrophobicContact CD2-CD1 3.72Å; L112-L136 HydrophobicContact CB-CD2 4.45Å; L112-L136 HydrophobicContact CD2-CD2 3.98Å; L112-L136 HydrophobicContact CG-CD2 4.48Å; L112-L142 HydrophobicContact CB-CD1 4.28Å; L112-L142 HydrophobicContact CB-CD2 4.05Å; L112-L142 HydrophobicContact CD1-CD1 4.48Å; L112-L142 HydrophobicContact CD2-CD1 3.9Å; L112-L142 HydrophobicContact CD2-CD2 3.52Å; L112-L142 HydrophobicContact CD2-CG 4.38Å; L112-L142 HydrophobicContact CG-CD1 4.45Å; L112-L142 HydrophobicContact CG-CD2 4.4Å |
| 113 | R | 87.9 | Confident | 85.6 | Confident | 28 Ų | 28 | 53.7 Ų | 53.7 | 11% | 0.106 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.9 | -48 | 176.2 | -168.4 | -179.9 | 64.6 | 163.2 | 6.7 | 111.7 | G109 R110 E111 K115 I116 A117 E124 I127 I129 L138 | G109-R113 PolarHBondContact O-N 3.17Å; G109-R113 VanDerWaalsContact O-N 3.09Å; R110-R113 WeakPolarHBondContact O-CB 3.42Å; R110-R113 PolarHBondContact O-N 2.97Å; R110-R113 VanDerWaalsContact O-N 3.11Å; E111-R113 VanDerWaalsContact C-N 3.29Å; E111-R113 PolarHBondContact O-N 3.35Å; R113-K115 VanDerWaalsContact C-N 3.33Å; R113-K115 PolarHBondContact O-N 3.24Å; R113-I116 PolarHBondContact O-N 2.95Å; R113-A117 WeakPolarHBondContact O-CB 3.36Å; R113-A117 PolarHBondContact O-N 3.31Å; R113-E124 WeakPolarHBondContact CD-O 3.32Å; R113-E124 HydrophobicContact CG-CG 3.93Å; R113-E124 IonicContact CZ-OE1 3.24Å; R113-E124 PolarHBondContact NE-O 3.41Å; R113-E124 IonicContact NE-OE1 3.63Å; R113-E124 PolarHBondContact NE-OE1 3.16Å; R113-E124 IonicContact NH2-OE1 3.64Å; R113-E124 PolarHBondContact NH2-OE1 2.97Å; R113-I127 HydrophobicContact CG-CD1 3.56Å; R113-I127 HydrophobicContact CG-CG1 3.64Å; R113-I129 HydrophobicContact CB-CD1 3.81Å; R113-I129 HydrophobicContact CG-CD1 3.93Å; R113-L138 HydrophobicContact CB-CD2 4.4Å |
| 114 | S | 87.2 | Confident | 85 | Confident | 38 Ų | 38 | 56.4 Ų | 56.4 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 176 | -53.1 | 0 | 0 | 0 | 0 | 111.9 | R110 E111 A117 E118 E124 | R110-S114 PolarHBondContact O-N 3.43Å; R110-S114 PolarHBondContact O-OG 2.97Å; E111-S114 PolarHBondContact O-N 3.45Å; S114-A117 WeakPolarHBondContact O-CB 3.02Å; S114-A117 PolarHBondContact O-N 2.77Å; S114-E118 WeakPolarHBondContact O-CB 3.41Å; S114-E118 PolarHBondContact O-N 2.87Å; S114-E124 WeakPolarHBondContact CB-OE2 3.37Å; S114-E124 PolarHBondContact OG-OE1 3.36Å; S114-E124 PolarHBondContact OG-OE2 2.85Å |
| 115 | K | 89.3 | Confident | 84.2 | Confident | 70 Ų | 70 | 53.4 Ų | 53.4 | 30% | 0.304 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 176.5 | -75.9 | -176.3 | -178.9 | -173.1 | 0 | 113.1 | L101 T103 I107 E111 L112 R113 A117 E118 T119 | L101-K115 HydrophobicContact CD2-CB 4.26Å; T103-K115 PolarHBondContact OG1-NZ 3.18Å; I107-K115 HydrophobicContact CD1-CD 4.4Å; E111-K115 WeakPolarHBondContact O-CG 3.37Å; E111-K115 PolarHBondContact O-N 2.88Å; L112-K115 PolarHBondContact O-N 2.67Å; R113-K115 VanDerWaalsContact C-N 3.33Å; R113-K115 PolarHBondContact O-N 3.24Å; K115-A117 VanDerWaalsContact C-N 3.33Å; K115-E118 PolarHBondContact O-N 2.88Å; K115-T119 VanDerWaalsContact O-CB 3.25Å; K115-T119 WeakPolarHBondContact O-CB 3.48Å; K115-T119 PolarHBondContact O-N 3.32Å; K115-T119 PolarHBondContact O-OG1 3.14Å |
| 116 | I | 88.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 176.6 | -72.3 | 172.7 | 0 | 0 | 0 | 109.9 | V87 L101 L112 R113 F120 L122 I127 I129 V155 | V87-I116 HydrophobicContact CG1-CD1 4.49Å; V87-I116 HydrophobicContact CG1-CG2 4.38Å; V87-I116 HydrophobicContact CG2-CD1 4.39Å; V87-I116 HydrophobicContact CG2-CG1 4.46Å; L101-I116 HydrophobicContact CD2-CD1 4.35Å; L101-I116 HydrophobicContact CD2-CG1 3.62Å; L112-I116 HydrophobicContact CD1-CD1 4.04Å; L112-I116 HydrophobicContact CD1-CG1 4.31Å; L112-I116 HydrophobicContact CG-CD1 4.01Å; L112-I116 WeakPolarHBondContact O-CG1 3.42Å; L112-I116 PolarHBondContact O-N 2.99Å; R113-I116 PolarHBondContact O-N 2.95Å; I116-F120 HydrophobicContact CG2-CD2 4.02Å; I116-F120 WeakPolarHBondContact O-CD2 3.44Å; I116-F120 PolarHBondContact O-N 3.48Å; I116-F120 VanDerWaalsContact O-N 3.11Å; I116-L122 HydrophobicContact CG2-CD1 4.31Å; I116-I127 HydrophobicContact CB-CD1 4.37Å; I116-I127 HydrophobicContact CG2-CD1 4.03Å; I116-I129 HydrophobicContact CD1-CD1 3.67Å; I116-I129 HydrophobicContact CD1-CG1 4.18Å; I116-V155 HydrophobicContact CD1-CG2 4.47Å; I116-V155 HydrophobicContact CG2-CG2 3.85Å |
| 117 | A | 85.3 | Confident | 83 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.6 | -53.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R113 S114 K115 G121 L122 E124 I127 | R113-A117 WeakPolarHBondContact O-CB 3.36Å; R113-A117 PolarHBondContact O-N 3.31Å; S114-A117 WeakPolarHBondContact O-CB 3.02Å; S114-A117 PolarHBondContact O-N 2.77Å; K115-A117 VanDerWaalsContact C-N 3.33Å; A117-G121 CarbonylContact O-C 3.55Å; A117-G121 WeakPolarHBondContact O-CA 3.46Å; A117-G121 PolarHBondContact O-N 2.99Å; A117-L122 CarbonylContact C-O 3.56Å; A117-L122 WeakPolarHBondContact CA-O 3.34Å; A117-L122 VanDerWaalsContact CB-O 3.31Å; A117-L122 WeakPolarHBondContact CB-O 3.41Å; A117-L122 PolarHBondContact O-N 3.4Å; A117-E124 HydrophobicContact CB-CB 3.85Å; A117-E124 HydrophobicContact CB-CG 4.16Å; A117-I127 HydrophobicContact CB-CD1 4.02Å |
| 118 | E | 85.8 | Confident | 82.7 | Confident | 168 Ų | 168 | 48.3 Ų | 48.3 | 79% | 0.785 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -66.2 | -44.6 | -178.2 | -167 | 175.6 | -163.6 | 0 | 0 | 112.6 | S114 K115 F120 | S114-E118 WeakPolarHBondContact O-CB 3.41Å; S114-E118 PolarHBondContact O-N 2.87Å; K115-E118 PolarHBondContact O-N 2.88Å; E118-F120 PolarHBondContact O-N 3.23Å |
| 119 | T | 84.8 | Confident | 82.5 | Confident | 71 Ų | 71 | 46.7 Ų | 46.7 | 44% | 0.436 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.8 | -38.6 | -175.7 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | L101 K115 | L101-T119 HydrophobicContact CD1-CG2 4.21Å; L101-T119 WeakPolarHBondContact CD1-OG1 3.29Å; K115-T119 VanDerWaalsContact O-CB 3.25Å; K115-T119 WeakPolarHBondContact O-CB 3.48Å; K115-T119 PolarHBondContact O-N 3.32Å; K115-T119 PolarHBondContact O-OG1 3.14Å |
| 120 | F | 82.1 | Confident | 82.4 | Confident | 28 Ų | 28 | 47 Ų | 47 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -104.8 | 3.4 | -173.4 | -61 | -71.4 | 0 | 0 | 0 | 113.6 | V87 L89 I116 E118 L122 | V87-F120 HydrophobicContact CB-CE2 3.97Å; V87-F120 HydrophobicContact CB-CZ 4.09Å; V87-F120 HydrophobicContact CG1-CD2 4.34Å; V87-F120 HydrophobicContact CG1-CE2 3.86Å; V87-F120 HydrophobicContact CG1-CZ 4.35Å; V87-F120 HydrophobicContact CG2-CE2 4.03Å; V87-F120 HydrophobicContact CG2-CZ 4.36Å; L89-F120 HydrophobicContact CD1-CB 4.35Å; L89-F120 HydrophobicContact CD1-CD1 3.54Å; L89-F120 HydrophobicContact CD1-CE1 3.99Å; L89-F120 HydrophobicContact CD1-CG 3.99Å; L89-F120 HydrophobicContact CD2-CB 4.06Å; L89-F120 HydrophobicContact CD2-CD1 4.25Å; L89-F120 HydrophobicContact CD2-CD2 4.11Å; L89-F120 HydrophobicContact CD2-CG 3.87Å; L89-F120 HydrophobicContact CG-CD1 4.4Å; I116-F120 HydrophobicContact CG2-CD2 4.02Å; I116-F120 WeakPolarHBondContact O-CD2 3.44Å; I116-F120 PolarHBondContact O-N 3.48Å; I116-F120 VanDerWaalsContact O-N 3.11Å; E118-F120 PolarHBondContact O-N 3.23Å; F120-L122 VanDerWaalsContact C-N 3.32Å; F120-L122 HydrophobicContact CB-CD1 4Å; F120-L122 HydrophobicContact CB-CG 4.36Å |
| 121 | G | 76.4 | Confident | 82.3 | Confident | 70 Ų | 70 | 40.3 Ų | 40.3 | 72% | 0.722 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 34.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A117 | A117-G121 CarbonylContact O-C 3.55Å; A117-G121 WeakPolarHBondContact O-CA 3.46Å; A117-G121 PolarHBondContact O-N 2.99Å |
| 122 | L | 78.2 | Confident | 81.9 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | trans | -97.4 | 149.7 | 179 | -78.6 | 164.4 | 0 | 0 | 0 | 109.7 | L89 L93 I116 A117 F120 I127 V155 | L89-L122 HydrophobicContact CD2-CD1 3.93Å; L93-L122 HydrophobicContact CD1-CD1 4.4Å; L93-L122 HydrophobicContact CD1-CD2 3.19Å; L93-L122 HydrophobicContact CD1-CG 3.88Å; I116-L122 HydrophobicContact CG2-CD1 4.31Å; A117-L122 CarbonylContact C-O 3.56Å; A117-L122 WeakPolarHBondContact CA-O 3.34Å; A117-L122 VanDerWaalsContact CB-O 3.31Å; A117-L122 WeakPolarHBondContact CB-O 3.41Å; A117-L122 PolarHBondContact O-N 3.4Å; F120-L122 VanDerWaalsContact C-N 3.32Å; F120-L122 HydrophobicContact CB-CD1 4Å; F120-L122 HydrophobicContact CB-CG 4.36Å; L122-I127 HydrophobicContact CB-CG2 3.92Å; L122-I127 HydrophobicContact CD1-CG2 4Å; L122-I127 HydrophobicContact CD2-CG2 3.94Å; L122-I127 HydrophobicContact CG-CG2 4.19Å; L122-V155 HydrophobicContact CD1-CG1 3.95Å | ||
| 123 | Q | 71.4 | Confident | 81.2 | Confident | 65 Ų | 65 | 43.2 Ų | 43.2 | 30% | 0.304 | 23% | 0.232 | S | C | . | . | trans | -80.8 | 123.2 | 173.3 | -68 | 175.4 | -27.7 | 0 | 0 | 109.8 | N125 Y126 | Q123-N125 PolarHBondContact O-N 3.46Å; Q123-N125 VanDerWaalsContact O-N 3.1Å; Q123-Y126 HydrophobicContact CB-CD2 3.18Å; Q123-Y126 HydrophobicContact CB-CE2 3.6Å; Q123-Y126 HydrophobicContact CB-CG 4.09Å; Q123-Y126 HydrophobicContact CG-CD2 4.2Å; Q123-Y126 HydrophobicContact CG-CE2 4.22Å; Q123-Y126 PolarHBondContact O-N 2.91Å; Q123-Y126 VanDerWaalsContact OE1-CD2 3.27Å | ||
| 124 | E | 75.1 | Confident | 80.9 | Confident | 60 Ų | 60 | 48.9 Ų | 48.9 | 28% | 0.28 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -54.9 | -36.3 | -171.1 | -164.2 | -165 | 134.3 | 0 | 0 | 113.8 | R113 S114 A117 Y126 I127 | R113-E124 WeakPolarHBondContact CD-O 3.32Å; R113-E124 HydrophobicContact CG-CG 3.93Å; R113-E124 IonicContact CZ-OE1 3.24Å; R113-E124 PolarHBondContact NE-O 3.41Å; R113-E124 IonicContact NE-OE1 3.63Å; R113-E124 PolarHBondContact NE-OE1 3.16Å; R113-E124 IonicContact NH2-OE1 3.64Å; R113-E124 PolarHBondContact NH2-OE1 2.97Å; S114-E124 WeakPolarHBondContact CB-OE2 3.37Å; S114-E124 PolarHBondContact OG-OE1 3.36Å; S114-E124 PolarHBondContact OG-OE2 2.85Å; A117-E124 HydrophobicContact CB-CB 3.85Å; A117-E124 HydrophobicContact CB-CG 4.16Å; E124-Y126 VanDerWaalsContact C-N 3.27Å; E124-Y126 PolarHBondContact O-N 3.22Å; E124-I127 VanDerWaalsContact O-CG1 3.3Å; E124-I127 WeakPolarHBondContact O-CG1 3.42Å |
| 125 | N | 70.8 | Confident | 80.7 | Confident | 78 Ų | 78 | 49.9 Ų | 49.9 | 42% | 0.417 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -76.1 | -11.5 | -177.2 | -63.9 | -25.1 | 0 | 0 | 0 | 114 | Q123 | Q123-N125 PolarHBondContact O-N 3.46Å; Q123-N125 VanDerWaalsContact O-N 3.1Å |
| 126 | Y | 70.3 | Confident | 80.6 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -106.4 | -1.7 | -172.2 | -62.1 | -102.5 | 0 | 0 | 0 | 113.1 | Q123 E124 L158 K159 E175 Q176 A179 | Q123-Y126 HydrophobicContact CB-CD2 3.18Å; Q123-Y126 HydrophobicContact CB-CE2 3.6Å; Q123-Y126 HydrophobicContact CB-CG 4.09Å; Q123-Y126 HydrophobicContact CG-CD2 4.2Å; Q123-Y126 HydrophobicContact CG-CE2 4.22Å; Q123-Y126 PolarHBondContact O-N 2.91Å; Q123-Y126 VanDerWaalsContact OE1-CD2 3.27Å; E124-Y126 VanDerWaalsContact C-N 3.27Å; E124-Y126 PolarHBondContact O-N 3.22Å; Y126-L158 PolarHBondContact O-N 2.76Å; Y126-K159 HydrophobicContact CD1-CD 4.35Å; Y126-K159 HydrophobicContact CD1-CG 4.08Å; Y126-E175 WeakPolarHBondContact CE1-O 3.24Å; Y126-E175 PolarHBondContact OH-O 2.87Å; Y126-Q176 WeakPolarHBondContact OH-CA 3.1Å; Y126-Q176 WeakPolarHBondContact OH-CG 3.44Å; Y126-Q176 PolarHBondContact OH-N 3.47Å; Y126-A179 HydrophobicContact CD1-CB 3.26Å; Y126-A179 HydrophobicContact CD2-CB 4.27Å; Y126-A179 HydrophobicContact CE1-CB 3Å; Y126-A179 HydrophobicContact CE2-CB 4.07Å; Y126-A179 HydrophobicContact CG-CB 3.93Å; Y126-A179 VanDerWaalsContact CZ-CB 3.47Å |
| 127 | I | 79.9 | Confident | 80.5 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.8 | -175.9 | 57.5 | 165.1 | 0 | 0 | 0 | 110.1 | R113 I116 A117 L122 E124 V155 L156 | R113-I127 HydrophobicContact CG-CD1 3.56Å; R113-I127 HydrophobicContact CG-CG1 3.64Å; I116-I127 HydrophobicContact CB-CD1 4.37Å; I116-I127 HydrophobicContact CG2-CD1 4.03Å; A117-I127 HydrophobicContact CB-CD1 4.02Å; L122-I127 HydrophobicContact CB-CG2 3.92Å; L122-I127 HydrophobicContact CD1-CG2 4Å; L122-I127 HydrophobicContact CD2-CG2 3.94Å; L122-I127 HydrophobicContact CG-CG2 4.19Å; E124-I127 VanDerWaalsContact O-CG1 3.3Å; E124-I127 WeakPolarHBondContact O-CG1 3.42Å; I127-V155 HydrophobicContact CB-CG1 4.07Å; I127-V155 HydrophobicContact CG2-CG1 3.98Å; I127-L156 WeakPolarHBondContact CA-O 3.24Å |
| 128 | K | 82.3 | Confident | 80.4 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 10% | 0.104 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.1 | 162.7 | -80.9 | -173.2 | 176.2 | -165.6 | 0 | 108.8 | L156 L158 P257 | K128-L156 HydrophobicContact CB-CB 4.13Å; K128-L156 HydrophobicContact CB-CD1 4.44Å; K128-L156 PolarHBondContact N-O 3.49Å; K128-L156 PolarHBondContact O-N 3.12Å; K128-L158 HydrophobicContact CD-CD1 4.19Å; K128-L158 HydrophobicContact CD-CD2 4.31Å; K128-L158 HydrophobicContact CG-CD1 4.09Å; K128-P257 HydrophobicContact CD-CB 4.14Å; K128-P257 HydrophobicContact CD-CG 3.59Å; K128-P257 VanDerWaalsContact NZ-CB 3.31Å |
| 129 | I | 85.9 | Confident | 80.2 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.1 | -180 | -63 | 158.5 | 0 | 0 | 0 | 107.9 | R113 I116 I131 L136 A153 M154 | R113-I129 HydrophobicContact CB-CD1 3.81Å; R113-I129 HydrophobicContact CG-CD1 3.93Å; I116-I129 HydrophobicContact CD1-CD1 3.67Å; I116-I129 HydrophobicContact CD1-CG1 4.18Å; I129-I131 HydrophobicContact CG2-CD1 3.74Å; I129-I131 HydrophobicContact CG2-CG1 3.76Å; I129-L136 HydrophobicContact CB-CB 4.04Å; I129-L136 HydrophobicContact CB-CD2 3.92Å; I129-L136 HydrophobicContact CD1-CD2 3.93Å; I129-L136 HydrophobicContact CG2-CB 4.21Å; I129-L136 HydrophobicContact CG2-CD2 3.97Å; I129-L136 VanDerWaalsContact O-CB 3.29Å; I129-L136 WeakPolarHBondContact O-CB 3.47Å; I129-L136 PolarHBondContact O-N 2.89Å; I129-A153 HydrophobicContact CG2-CB 4.29Å; I129-M154 CarbonylContact C-O 3.52Å; I129-M154 WeakPolarHBondContact CA-O 3.31Å |
| 130 | V | 85 | Confident | 80.3 | Confident | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 118.9 | 174.1 | 178.9 | 0 | 0 | 0 | 0 | 107.9 | K134 M154 L156 L260 | V130-K134 WeakPolarHBondContact CA-O 3.43Å; V130-M154 HydrophobicContact CB-CB 4.15Å; V130-M154 HydrophobicContact CB-CG 4.33Å; V130-M154 PolarHBondContact N-O 2.92Å; V130-M154 PolarHBondContact O-N 3.01Å; V130-L156 HydrophobicContact CG2-CD1 3.87Å; V130-L156 HydrophobicContact CG2-CG 4.43Å; V130-L260 HydrophobicContact CG1-CD1 3.75Å; V130-L260 HydrophobicContact CG2-CD1 4.02Å |
| 131 | I | 85.6 | Confident | 80.7 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 5% | 0.046 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 141.7 | 177.8 | -64.5 | 170.2 | 0 | 0 | 0 | 107.9 | L112 I129 K133 K134 L136 V147 V151 A153 | L112-I131 HydrophobicContact CD2-CD1 3.72Å; I129-I131 HydrophobicContact CG2-CD1 3.74Å; I129-I131 HydrophobicContact CG2-CG1 3.76Å; I131-K133 PolarHBondContact O-N 3.2Å; I131-K133 VanDerWaalsContact O-N 3.14Å; I131-K134 PolarHBondContact N-O 3.44Å; I131-K134 PolarHBondContact O-N 3.15Å; I131-L136 HydrophobicContact CD1-CD1 4.33Å; I131-V147 HydrophobicContact CD1-CG2 4.44Å; I131-V147 HydrophobicContact CG2-CG1 4.48Å; I131-V147 HydrophobicContact CG2-CG2 3.9Å; I131-V151 HydrophobicContact CG2-CG1 4.04Å; I131-V151 HydrophobicContact CG2-CG2 3.76Å; I131-A153 HydrophobicContact CD1-CB 3.86Å; I131-A153 HydrophobicContact CG1-CB 3.6Å |
| 132 | N | 79.9 | Confident | 81.3 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 41.3 | 178.3 | -67.9 | -26.7 | 0 | 0 | 0 | 113.3 | K134 G146 V151 | N132-K134 PolarHBondContact O-N 3.38Å; N132-G146 VanDerWaalsContact ND2-C 3.28Å; N132-G146 PolarHBondContact ND2-O 3.47Å; N132-V151 WeakPolarHBondContact OD1-CG2 3.4Å |
| 133 | K | 74.7 | Confident | 81.7 | Confident | 78 Ų | 78 | 52.4 Ų | 52.4 | 34% | 0.339 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 9.4 | 178.4 | -38.3 | 163.8 | 175.8 | -156.9 | 0 | 114.4 | I131 L300 D302 | I131-K133 PolarHBondContact O-N 3.2Å; I131-K133 VanDerWaalsContact O-N 3.14Å; K133-L300 HydrophobicContact CG-CD2 3.93Å; K133-D302 HydrophobicContact CD-CB 4.04Å; K133-D302 WeakPolarHBondContact CD-OD1 3.47Å; K133-D302 WeakPolarHBondContact CD-OD2 3.32Å; K133-D302 WeakPolarHBondContact CE-OD1 3.33Å; K133-D302 HydrophobicContact CG-CB 4Å; K133-D302 WeakPolarHBondContact CG-OD2 3.3Å; K133-D302 VanDerWaalsContact NZ-CG 3.32Å; K133-D302 IonicContact NZ-OD1 3.84Å; K133-D302 PolarHBondContact NZ-OD1 3.42Å; K133-D302 IonicContact NZ-OD2 2.61Å |
| 134 | K | 81.5 | Confident | 82.4 | Confident | 148 Ų | 148 | 55.6 Ų | 55.6 | 64% | 0.643 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 148.3 | -179 | -65.7 | -179.3 | -178.9 | 178.2 | 0 | 110.1 | V130 I131 N132 L136 | V130-K134 WeakPolarHBondContact CA-O 3.43Å; I131-K134 PolarHBondContact N-O 3.44Å; I131-K134 PolarHBondContact O-N 3.15Å; N132-K134 PolarHBondContact O-N 3.38Å; K134-L136 PolarHBondContact O-N 3.16Å |
| 135 | Q | 83.4 | Confident | 83 | Confident | 59 Ų | 59 | 54.8 Ų | 54.8 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 132.6 | 168.2 | -171.4 | -178.1 | -46.6 | 0 | 0 | 109.3 | Q137 | Q135-Q137 PolarHBondContact O-N 3.36Å |
| 136 | L | 87.3 | Confident | 83.6 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 127.2 | 177.4 | -176.4 | 69.3 | 0 | 0 | 0 | 110.4 | L112 I129 I131 K134 L142 | L112-L136 HydrophobicContact CB-CD2 4.45Å; L112-L136 HydrophobicContact CD2-CD2 3.98Å; L112-L136 HydrophobicContact CG-CD2 4.48Å; I129-L136 HydrophobicContact CB-CB 4.04Å; I129-L136 HydrophobicContact CB-CD2 3.92Å; I129-L136 HydrophobicContact CD1-CD2 3.93Å; I129-L136 HydrophobicContact CG2-CB 4.21Å; I129-L136 HydrophobicContact CG2-CD2 3.97Å; I129-L136 VanDerWaalsContact O-CB 3.29Å; I129-L136 WeakPolarHBondContact O-CB 3.47Å; I129-L136 PolarHBondContact O-N 2.89Å; I131-L136 HydrophobicContact CD1-CD1 4.33Å; K134-L136 PolarHBondContact O-N 3.16Å; L136-L142 HydrophobicContact CD1-CD2 3.83Å |
| 137 | Q | 84.3 | Confident | 84.3 | Confident | 84 Ų | 84 | 53.1 Ų | 53.1 | 39% | 0.393 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 120.8 | 174.2 | -57.9 | -174.4 | -6 | 0 | 0 | 109.2 | Q135 G139 Q145 | Q135-Q137 PolarHBondContact O-N 3.36Å; Q137-G139 VanDerWaalsContact C-N 3.3Å; Q137-G139 PolarHBondContact O-N 2.84Å; Q137-Q145 PolarHBondContact O-NE2 3Å |
| 138 | L | 84.2 | Confident | 84.6 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 29% | 0.288 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -27.4 | -173.3 | -58.3 | 179.4 | 0 | 0 | 0 | 113.6 | R110 R113 | R110-L138 HydrophobicContact CB-CB 4.3Å; R110-L138 PolarHBondContact N-O 3.34Å; R113-L138 HydrophobicContact CB-CD2 4.4Å |
| 139 | G | 81.3 | Confident | 84.8 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 75% | 0.753 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -4.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q137 | Q137-G139 VanDerWaalsContact C-N 3.3Å; Q137-G139 PolarHBondContact O-N 2.84Å |
| 140 | K | 87.7 | Confident | 84.6 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 40% | 0.404 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -108.6 | 157.8 | 179.6 | -66.8 | -169.7 | -175.8 | 167.9 | 0 | 111.1 | T108 G109 Q145 | T108-K140 WeakPolarHBondContact CA-O 3.36Å; G109-K140 PolarHBondContact N-O 2.8Å; K140-Q145 HydrophobicContact CB-CG 3.99Å; K140-Q145 PolarHBondContact O-NE2 3.48Å; K140-Q145 VanDerWaalsContact O-NE2 3.15Å |
| 141 | T | 90.2 | Very high | 84.7 | Confident | 31 Ų | 31 | 58.3 Ų | 58.3 | 19% | 0.19 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -68.9 | 160.3 | 173 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | I107 E143 E144 Q145 | I107-T141 CarbonylContact O-C 3.28Å; I107-T141 VanDerWaalsContact O-CA 3.29Å; I107-T141 WeakPolarHBondContact O-CA 3.22Å; T141-E143 VanDerWaalsContact C-N 3.34Å; T141-E144 WeakPolarHBondContact OG1-CB 3.39Å; T141-E144 WeakPolarHBondContact OG1-CG 3.4Å; T141-E144 PolarHBondContact OG1-N 2.57Å; T141-E144 PolarHBondContact OG1-OE1 3.5Å; T141-Q145 WeakPolarHBondContact O-CG 3.12Å; T141-Q145 PolarHBondContact O-NE2 3.21Å |
| 142 | L | 88.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -38.3 | 176.8 | -58.9 | -178.3 | 0 | 0 | 0 | 111.1 | I85 T103 L105 I107 L112 L136 Q145 G146 V147 | I85-L142 HydrophobicContact CD1-CD1 4.37Å; T103-L142 HydrophobicContact CG2-CD1 4.1Å; L105-L142 WeakPolarHBondContact O-CB 3.33Å; L105-L142 PolarHBondContact O-N 3.38Å; I107-L142 HydrophobicContact CD1-CD1 3.95Å; I107-L142 HydrophobicContact CG1-CD1 3.53Å; I107-L142 HydrophobicContact CG1-CG 3.9Å; I107-L142 PolarHBondContact O-N 2.83Å; L112-L142 HydrophobicContact CB-CD1 4.28Å; L112-L142 HydrophobicContact CB-CD2 4.05Å; L112-L142 HydrophobicContact CD1-CD1 4.48Å; L112-L142 HydrophobicContact CD2-CD1 3.9Å; L112-L142 HydrophobicContact CD2-CD2 3.52Å; L112-L142 HydrophobicContact CD2-CG 4.38Å; L112-L142 HydrophobicContact CG-CD1 4.45Å; L112-L142 HydrophobicContact CG-CD2 4.4Å; L136-L142 HydrophobicContact CD1-CD2 3.83Å; L142-Q145 CarbonylContact O-C 3.48Å; L142-Q145 PolarHBondContact O-N 3.36Å; L142-Q145 VanDerWaalsContact O-N 3.13Å; L142-G146 PolarHBondContact O-N 2.92Å; L142-V147 HydrophobicContact CB-CB 3.79Å; L142-V147 HydrophobicContact CB-CG1 4.09Å; L142-V147 HydrophobicContact CB-CG2 3.97Å; L142-V147 HydrophobicContact CD1-CG1 4.48Å; L142-V147 HydrophobicContact CD2-CG2 4.3Å; L142-V147 VanDerWaalsContact O-CB 3.24Å; L142-V147 WeakPolarHBondContact O-CB 3.27Å; L142-V147 VanDerWaalsContact O-CG2 3.25Å; L142-V147 WeakPolarHBondContact O-CG2 3.45Å; L142-V147 PolarHBondContact O-N 3.26Å |
| 143 | E | 87.1 | Confident | 85 | Confident | 133 Ų | 133 | 57.4 Ų | 57.4 | 62% | 0.621 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -61 | -46.1 | 177.6 | -173.8 | 170.6 | -157.4 | 0 | 0 | 112.8 | L105 T141 Q145 G146 | L105-E143 HydrophobicContact CB-CB 4.42Å; L105-E143 PolarHBondContact O-N 3.38Å; L105-E143 VanDerWaalsContact O-N 3.12Å; T141-E143 VanDerWaalsContact C-N 3.34Å; E143-Q145 PolarHBondContact O-N 2.92Å; E143-Q145 VanDerWaalsContact O-N 3.1Å; E143-G146 PolarHBondContact O-N 3.48Å |
| 144 | E | 85.7 | Confident | 85.4 | Confident | 132 Ų | 132 | 53.9 Ų | 53.9 | 62% | 0.617 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -59.3 | -23.9 | 175.2 | -77.6 | 163.3 | -141.8 | 0 | 0 | 113.4 | T141 | T141-E144 WeakPolarHBondContact OG1-CB 3.39Å; T141-E144 WeakPolarHBondContact OG1-CG 3.4Å; T141-E144 PolarHBondContact OG1-N 2.57Å; T141-E144 PolarHBondContact OG1-OE1 3.5Å |
| 145 | Q | 87.6 | Confident | 85.6 | Confident | 44 Ų | 44 | 46.9 Ų | 46.9 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -94.6 | 5.1 | 180 | -63.4 | 179.9 | 79.2 | 0 | 0 | 112.4 | Q137 K140 T141 L142 E143 V147 | Q137-Q145 PolarHBondContact O-NE2 3Å; K140-Q145 HydrophobicContact CB-CG 3.99Å; K140-Q145 PolarHBondContact O-NE2 3.48Å; K140-Q145 VanDerWaalsContact O-NE2 3.15Å; T141-Q145 WeakPolarHBondContact O-CG 3.12Å; T141-Q145 PolarHBondContact O-NE2 3.21Å; L142-Q145 CarbonylContact O-C 3.48Å; L142-Q145 PolarHBondContact O-N 3.36Å; L142-Q145 VanDerWaalsContact O-N 3.13Å; E143-Q145 PolarHBondContact O-N 2.92Å; E143-Q145 VanDerWaalsContact O-N 3.1Å; Q145-V147 VanDerWaalsContact C-N 3.32Å; Q145-V147 HydrophobicContact CB-CG2 4.29Å |
| 146 | G | 83.3 | Confident | 85.3 | Confident | 47 Ų | 47 | 44.3 Ų | 44.3 | 49% | 0.485 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 17.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N132 L142 E143 A148 | N132-G146 VanDerWaalsContact ND2-C 3.28Å; N132-G146 PolarHBondContact ND2-O 3.47Å; L142-G146 PolarHBondContact O-N 2.92Å; E143-G146 PolarHBondContact O-N 3.48Å; G146-A148 PolarHBondContact O-N 2.9Å |
| 147 | V | 85.7 | Confident | 84.8 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | trans | -70.7 | 120.4 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | I85 L105 I131 L142 Q145 V151 | I85-V147 HydrophobicContact CD1-CG1 4.33Å; L105-V147 HydrophobicContact CD2-CG1 4.27Å; I131-V147 HydrophobicContact CD1-CG2 4.44Å; I131-V147 HydrophobicContact CG2-CG1 4.48Å; I131-V147 HydrophobicContact CG2-CG2 3.9Å; L142-V147 HydrophobicContact CB-CB 3.79Å; L142-V147 HydrophobicContact CB-CG1 4.09Å; L142-V147 HydrophobicContact CB-CG2 3.97Å; L142-V147 HydrophobicContact CD1-CG1 4.48Å; L142-V147 HydrophobicContact CD2-CG2 4.3Å; L142-V147 VanDerWaalsContact O-CB 3.24Å; L142-V147 WeakPolarHBondContact O-CB 3.27Å; L142-V147 VanDerWaalsContact O-CG2 3.25Å; L142-V147 WeakPolarHBondContact O-CG2 3.45Å; L142-V147 PolarHBondContact O-N 3.26Å; Q145-V147 VanDerWaalsContact C-N 3.32Å; Q145-V147 HydrophobicContact CB-CG2 4.29Å; V147-V151 HydrophobicContact CG1-CG1 3.67Å | ||
| 148 | A | 85.7 | Confident | 84 | Confident | 54 Ų | 54 | 42.8 Ų | 42.8 | 45% | 0.446 | 25% | 0.246 | S | C | . | . | trans | -112.8 | 172.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G146 V151 | G146-A148 PolarHBondContact O-N 2.9Å; A148-V151 WeakPolarHBondContact O-CB 3.35Å; A148-V151 WeakPolarHBondContact O-CG1 3.28Å; A148-V151 PolarHBondContact O-N 3.37Å | ||
| 149 | H | 85.6 | Confident | 83 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 139.8 | 171.7 | -179.5 | 72.6 | 0 | 0 | 0 | 111.5 | G73 N74 Y77 A83 T84 V151 | G73-H149 PolarHBondContact O-CE1 2.87Å; G73-H149 VanDerWaalsContact O-CE1 3.25Å; G73-H149 PolarHBondContact O-NE2 3.47Å; N74-H149 PolarHBondContact N-NE2 3.29Å; N74-H149 PolarHBondContact OD1-CD2 3.26Å; N74-H149 PolarHBondContact OD1-NE2 2.72Å; Y77-H149 HydrophobicContact CD1-CB 3.92Å; Y77-H149 AromaticContact CD1-CG 3.95Å; Y77-H149 HydrophobicContact CD2-CB 4.32Å; Y77-H149 HydrophobicContact CE1-CB 4Å; Y77-H149 HydrophobicContact CE2-CB 4.4Å; Y77-H149 HydrophobicContact CG-CB 4.08Å; Y77-H149 AromaticContact CG-CG 3.83Å; Y77-H149 AromaticContact CG-ND1 3.76Å; A83-H149 HydrophobicContact CB-CB 4.31Å; T84-H149 PolarHBondContact N-ND1 3.2Å; T84-H149 VanDerWaalsContact N-ND1 3.14Å; T84-H149 PolarHBondContact OG1-CE1 3.22Å; H149-V151 VanDerWaalsContact C-N 3.26Å; H149-V151 PolarHBondContact O-N 3.45Å |
| 150 | N | 83.4 | Confident | 81.4 | Confident | 48 Ų | 48 | 45 Ų | 45 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 25.8 | -175.9 | -62.2 | -38 | 0 | 0 | 0 | 115.1 | N74 T84 | N74-N150 PolarHBondContact OD1-ND2 2.87Å; T84-N150 VanDerWaalsContact O-CA 3.24Å; T84-N150 WeakPolarHBondContact O-CA 3.42Å; T84-N150 PolarHBondContact O-N 3.1Å |
| 151 | V | 85.6 | Confident | 79.4 | Confident | 17 Ų | 17 | 42.7 Ų | 42.7 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 150.4 | 172.8 | 78.9 | 0 | 0 | 0 | 0 | 111.2 | I85 E86 I131 N132 V147 A148 H149 | I85-V151 HydrophobicContact CG1-CG1 4.27Å; I85-V151 HydrophobicContact CG2-CG1 4.21Å; E86-V151 PolarHBondContact N-O 3.5Å; I131-V151 HydrophobicContact CG2-CG1 4.04Å; I131-V151 HydrophobicContact CG2-CG2 3.76Å; N132-V151 WeakPolarHBondContact OD1-CG2 3.4Å; V147-V151 HydrophobicContact CG1-CG1 3.67Å; A148-V151 WeakPolarHBondContact O-CB 3.35Å; A148-V151 WeakPolarHBondContact O-CG1 3.28Å; A148-V151 PolarHBondContact O-N 3.37Å; H149-V151 VanDerWaalsContact C-N 3.26Å; H149-V151 PolarHBondContact O-N 3.45Å |
| 152 | K | 86.2 | Confident | 76.9 | Confident | 61 Ų | 61 | 49.6 Ų | 49.6 | 27% | 0.265 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 131.6 | 173.6 | -57.9 | -179.8 | 177.7 | 169.1 | 0 | 110.3 | E86 F88 E298 | E86-K152 HydrophobicContact CB-CG 4.5Å; E86-K152 CarbonylContact O-C 3.6Å; E86-K152 WeakPolarHBondContact O-CA 3.1Å; F88-K152 HydrophobicContact CD2-CB 4.14Å; F88-K152 HydrophobicContact CE2-CB 3.79Å; F88-K152 HydrophobicContact CE2-CD 3.72Å; F88-K152 HydrophobicContact CE2-CG 3.71Å; F88-K152 HydrophobicContact CZ-CD 4.09Å; F88-K152 HydrophobicContact CZ-CG 4.49Å; K152-E298 PolarHBondContact NZ-O 3.44Å |
| 153 | A | 86.4 | Confident | 74.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 114.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | I85 E86 V87 F88 I129 I131 | I85-A153 HydrophobicContact CG2-CB 3.57Å; E86-A153 PolarHBondContact O-N 2.88Å; V87-A153 CarbonylContact C-O 3.42Å; V87-A153 WeakPolarHBondContact CA-O 3.44Å; F88-A153 PolarHBondContact N-O 3.32Å; I129-A153 HydrophobicContact CG2-CB 4.29Å; I131-A153 HydrophobicContact CD1-CB 3.86Å; I131-A153 HydrophobicContact CG1-CB 3.6Å |
| 154 | M | 83.3 | Confident | 71.9 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.02 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122.2 | 174 | 161.9 | 157.5 | -158 | 0 | 0 | 109.4 | I129 V130 L156 L256 Y291 L294 Q296 C299 | I129-M154 CarbonylContact C-O 3.52Å; I129-M154 WeakPolarHBondContact CA-O 3.31Å; V130-M154 HydrophobicContact CB-CB 4.15Å; V130-M154 HydrophobicContact CB-CG 4.33Å; V130-M154 PolarHBondContact N-O 2.92Å; V130-M154 PolarHBondContact O-N 3.01Å; M154-L156 HydrophobicContact CE-CD2 3.36Å; M154-L156 HydrophobicContact CG-CD2 3.97Å; M154-L156 HydrophobicContact CG-CG 4.28Å; M154-L156 HydrophobicContact SD-CD2 4.28Å; M154-L256 HydrophobicContact CE-CD2 3.88Å; M154-L256 HydrophobicContact SD-CD2 4.19Å; M154-Y291 HydrophobicContact CE-CD1 4.45Å; M154-Y291 HydrophobicContact SD-CD1 4.29Å; M154-Y291 HydrophobicContact SD-CE1 4.44Å; M154-L294 HydrophobicContact CE-CB 3.87Å; M154-L294 HydrophobicContact CE-CD1 3.6Å; M154-L294 HydrophobicContact CE-CG 4.37Å; M154-Q296 VanDerWaalsContact CB-OE1 3.32Å; M154-Q296 HydrophobicContact CE-CB 3.67Å; M154-Q296 VanDerWaalsContact CE-CD 3.48Å; M154-Q296 HydrophobicContact CE-CG 3.72Å; M154-Q296 VanDerWaalsContact CE-OE1 3.31Å; M154-Q296 HydrophobicContact SD-CB 4.03Å; M154-Q296 HydrophobicContact SD-CG 4.43Å; M154-Q296 PolarHBondContact SD-OE1 2.83Å; M154-C299 HydrophobicContact CB-CB 4.33Å; M154-C299 HydrophobicContact SD-CB 4.36Å |
| 155 | V | 85.4 | Confident | 69.9 | Low | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | V87 F88 L89 P90 I116 L122 I127 | V87-V155 HydrophobicContact CG1-CG2 3.43Å; V87-V155 VanDerWaalsContact CG1-CG2 3.43Å; F88-V155 PolarHBondContact O-N 3.44Å; L89-V155 HydrophobicContact CD2-CB 4.4Å; L89-V155 HydrophobicContact CD2-CG2 4.38Å; P90-V155 WeakPolarHBondContact CD-O 3.44Å; I116-V155 HydrophobicContact CD1-CG2 4.47Å; I116-V155 HydrophobicContact CG2-CG2 3.85Å; L122-V155 HydrophobicContact CD1-CG1 3.95Å; I127-V155 HydrophobicContact CB-CG1 4.07Å; I127-V155 HydrophobicContact CG2-CG1 3.98Å |
| 156 | L | 77.9 | Confident | 67.6 | Low | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 116.8 | 172.7 | -59 | 177.9 | 0 | 0 | 0 | 108.1 | I127 K128 V130 M154 L256 P257 L294 | I127-L156 WeakPolarHBondContact CA-O 3.24Å; K128-L156 HydrophobicContact CB-CB 4.13Å; K128-L156 HydrophobicContact CB-CD1 4.44Å; K128-L156 PolarHBondContact N-O 3.49Å; K128-L156 PolarHBondContact O-N 3.12Å; V130-L156 HydrophobicContact CG2-CD1 3.87Å; V130-L156 HydrophobicContact CG2-CG 4.43Å; M154-L156 HydrophobicContact CE-CD2 3.36Å; M154-L156 HydrophobicContact CG-CD2 3.97Å; M154-L156 HydrophobicContact CG-CG 4.28Å; M154-L156 HydrophobicContact SD-CD2 4.28Å; L156-L256 HydrophobicContact CD1-CD2 3.95Å; L156-L256 HydrophobicContact CD1-CG 4.41Å; L156-L256 HydrophobicContact CD2-CD2 4.06Å; L156-P257 HydrophobicContact CD1-CG 4.03Å; L156-L294 HydrophobicContact CD2-CD1 3.72Å |
| 157 | E | 75.9 | Confident | 65.5 | Low | 46 Ų | 46 | 72.6 Ų | 72.6 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 123.3 | 166.4 | -179.8 | 174.5 | -156 | 0 | 0 | 108.3 | P90 K159 | P90-E157 HydrophobicContact CB-CB 4.25Å; P90-E157 HydrophobicContact CG-CB 3.48Å; P90-E157 VanDerWaalsContact CG-CB 3.48Å; E157-K159 HydrophobicContact CG-CB 4.13Å; E157-K159 PolarHBondContact O-N 3.27Å |
| 158 | L | 67.9 | Low | 63.6 | Low | 18 Ų | 18 | 79.8 Ų | 79.8 | 9% | 0.094 | 40% | 0.4 | C | S | . | . | trans | -81.7 | 12.7 | -175.2 | -60.2 | 175 | 0 | 0 | 0 | 113.5 | Y126 K128 K182 G253 I254 | Y126-L158 PolarHBondContact O-N 2.76Å; K128-L158 HydrophobicContact CD-CD1 4.19Å; K128-L158 HydrophobicContact CD-CD2 4.31Å; K128-L158 HydrophobicContact CG-CD1 4.09Å; L158-K182 PolarHBondContact O-NZ 3.31Å; L158-G253 VanDerWaalsContact CD2-O 3.28Å; L158-G253 WeakPolarHBondContact CD2-O 3.47Å; L158-I254 HydrophobicContact CD2-CG1 4.16Å | ||
| 159 | K | 63.7 | Low | 61.6 | Low | 50 Ų | 50 | 85.5 Ų | 85.5 | 22% | 0.217 | 42% | 0.415 | C | S | . | . | trans | -96.8 | 130.7 | 173.8 | -69.2 | -173.8 | 168.5 | -175.8 | 0 | 111.1 | R92 Y126 E157 E175 | R92-K159 PolarHBondContact NH1-O 3.49Å; Y126-K159 HydrophobicContact CD1-CD 4.35Å; Y126-K159 HydrophobicContact CD1-CG 4.08Å; E157-K159 HydrophobicContact CG-CB 4.13Å; E157-K159 PolarHBondContact O-N 3.27Å; K159-E175 IonicContact NZ-OE1 3.24Å; K159-E175 IonicContact NZ-OE2 2.64Å; K159-E175 PolarHBondContact NZ-OE2 3.05Å | ||
| 160 | Q | 46.8 | Very low | 59.9 | Low | 124 Ų | 124 | 91.6 Ų | 91.6 | 58% | 0.579 | 44% | 0.444 | S | S | * | . | trans | -95 | 153.4 | 154.8 | -66.8 | -168.2 | -1.7 | 0 | 0 | 108.6 | K250 | Q160-K250 PolarHBondContact NE2-O 3.03Š| ||
| 161 | S | 46.3 | Very low | 58.3 | Low | 45 Ų | 45 | 93.3 Ų | 93.3 | 32% | 0.315 | 45% | 0.452 | S | S | . | . | trans | -129.9 | 156.1 | -174.1 | 85.9 | 0 | 0 | 0 | 0 | 110.5 | R92 | R92-S161 PolarHBondContact NE-OG 3.11Å; R92-S161 PolarHBondContact NH2-OG 3.27Å | ||
| 162 | E | 36 | Very low | 56.4 | Low | 176 Ų | 176 | 97.2 Ų | 97.2 | 82% | 0.822 | 47% | 0.47 | S | S | * | . | -175.8 | 96.7 | 101.9 | -93.1 | -172.7 | -179.8 | 0 | 0 | 107.8 | |||||
| 163 | E | 34 | Very low | 54.8 | Low | 198 Ų | 198 | 100.7 Ų | 100.7 | 93% | 0.925 | 49% | 0.487 | S | S | * | . | trans | -156.9 | 69.2 | 147.7 | -111.6 | 179.6 | -161 | 0 | 0 | 106 | A165 | E163-A165 PolarHBondContact O-N 2.91Š| ||
| 164 | D | 36.9 | Very low | 53.2 | Low | 146 Ų | 146 | 106.6 Ų | 106.6 | 78% | 0.781 | 52% | 0.515 | S | S | * | . | trans | -63.1 | 120.8 | 176.6 | -83.9 | -22.7 | 0 | 0 | 0 | 109.6 | ||||
| 165 | A | 44.4 | Very low | 51.5 | Low | 86 Ų | 86 | 109 Ų | 109 | 71% | 0.711 | 53% | 0.526 | S | S | * | . | trans | 75.1 | 89.5 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | E163 | E163-A165 PolarHBondContact O-N 2.91Š| ||
| 166 | R | 39.4 | Very low | 49.8 | Very low | 236 Ų | 236 | 112.7 Ų | 112.7 | 89% | 0.891 | 54% | 0.543 | S | S | * | . | S | Bend | -169.5 | 92.1 | 119.3 | -97.9 | 158.8 | -165.3 | -159.4 | 7.2 | 112.5 | |||
| 167 | K | 39.2 | Very low | 48.8 | Very low | 174 Ų | 174 | 116.9 Ų | 116.9 | 76% | 0.757 | 57% | 0.565 | S | S | * | * | 155.1 | 119.4 | 118.6 | -85.3 | 174.3 | 179.9 | 178.1 | 0 | 109.8 | |||||
| 168 | N | 46.4 | Very low | 48 | Very low | 157 Ų | 157 | 119 Ų | 119 | 84% | 0.84 | 58% | 0.575 | S | S | * | * | trans | -65.2 | 157.8 | -176.7 | -71.1 | -12.2 | 0 | 0 | 0 | 113.3 | ||||
| 169 | F | 43.5 | Very low | 47.4 | Very low | 174 Ų | 174 | 118.5 Ų | 118.5 | 76% | 0.763 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 97.3 | -15.5 | 162.7 | -120 | -89 | 0 | 0 | 0 | 119.4 | ||
| 170 | Q | 48.6 | Very low | 47.4 | Very low | 158 Ų | 158 | 120.5 Ų | 120.5 | 74% | 0.738 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -105.4 | -32.6 | 169.1 | -75.7 | 174.5 | -14.5 | 0 | 0 | 112.7 | E172 E173 E174 | Q170-E172 PolarHBondContact O-N 2.99Å; Q170-E173 PolarHBondContact O-N 3.4Å; Q170-E174 PolarHBondContact O-N 3.17Å |
| 171 | L | 49.9 | Very low | 48.4 | Very low | 84 Ų | 84 | 119.3 Ų | 119.3 | 44% | 0.44 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.5 | -33.6 | 178.3 | -69.7 | 168 | 0 | 0 | 0 | 113.1 | E173 E174 E175 | L171-E173 VanDerWaalsContact C-N 3.26Å; L171-E173 PolarHBondContact O-N 2.72Å; L171-E174 PolarHBondContact O-N 3.36Å; L171-E175 WeakPolarHBondContact O-CA 3.46Å; L171-E175 WeakPolarHBondContact O-CB 3.44Å; L171-E175 WeakPolarHBondContact O-CG 3Å; L171-E175 PolarHBondContact O-N 3.06Å |
| 172 | E | 47.3 | Very low | 49.3 | Very low | 100 Ų | 100 | 118.8 Ų | 118.8 | 47% | 0.467 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65 | -30.3 | 177.4 | -76.9 | -176.6 | 164.6 | 0 | 0 | 112.6 | Q170 Q176 | Q170-E172 PolarHBondContact O-N 2.99Å; E172-Q176 WeakPolarHBondContact O-CB 3.32Å; E172-Q176 WeakPolarHBondContact O-CG 3.35Å; E172-Q176 PolarHBondContact O-N 3.46Å |
| 173 | E | 50.7 | Low | 50.8 | Low | 133 Ų | 133 | 113.8 Ų | 113.8 | 62% | 0.621 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -80.9 | -41.5 | 178.9 | -156.6 | 174.6 | -165.3 | 0 | 0 | 111.3 | Q170 L171 Q176 N177 | Q170-E173 PolarHBondContact O-N 3.4Å; L171-E173 VanDerWaalsContact C-N 3.26Å; L171-E173 PolarHBondContact O-N 2.72Å; E173-Q176 PolarHBondContact O-N 3.01Å; E173-N177 WeakPolarHBondContact O-CB 3.09Å; E173-N177 PolarHBondContact O-N 3.28Å; E173-N177 PolarHBondContact O-ND2 2.98Å; E173-N177 VanDerWaalsContact O-ND2 3.13Å |
| 174 | E | 52.7 | Low | 52.6 | Low | 125 Ų | 125 | 109.7 Ų | 109.7 | 58% | 0.584 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 171.8 | -70.8 | 178.5 | 171.3 | 0 | 0 | 111.7 | Q170 L171 N177 E178 | Q170-E174 PolarHBondContact O-N 3.17Å; L171-E174 PolarHBondContact O-N 3.36Å; E174-N177 WeakPolarHBondContact O-CB 3.37Å; E174-N177 PolarHBondContact O-N 3.01Å; E174-E178 WeakPolarHBondContact O-CB 3.09Å; E174-E178 PolarHBondContact O-N 3.42Å |
| 175 | E | 49.5 | Very low | 54.4 | Low | 55 Ų | 55 | 104.8 Ų | 104.8 | 26% | 0.257 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 174.8 | -71.4 | 171.2 | -179.1 | 0 | 0 | 111.3 | Y126 K159 L171 N177 E178 A179 | Y126-E175 WeakPolarHBondContact CE1-O 3.24Å; Y126-E175 PolarHBondContact OH-O 2.87Å; K159-E175 IonicContact NZ-OE1 3.24Å; K159-E175 IonicContact NZ-OE2 2.64Å; K159-E175 PolarHBondContact NZ-OE2 3.05Å; L171-E175 WeakPolarHBondContact O-CA 3.46Å; L171-E175 WeakPolarHBondContact O-CB 3.44Å; L171-E175 WeakPolarHBondContact O-CG 3Å; L171-E175 PolarHBondContact O-N 3.06Å; E175-N177 VanDerWaalsContact C-N 3.32Å; E175-E178 PolarHBondContact O-N 2.83Å; E175-A179 PolarHBondContact O-N 3.16Å |
| 176 | Q | 49.4 | Very low | 55.7 | Low | 77 Ų | 77 | 101.9 Ų | 101.9 | 36% | 0.36 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.8 | -37.5 | 174.6 | -82.8 | 178.4 | 37.6 | 0 | 0 | 111.8 | Y126 E172 E173 E178 K180 | Y126-Q176 WeakPolarHBondContact OH-CA 3.1Å; Y126-Q176 WeakPolarHBondContact OH-CG 3.44Å; Y126-Q176 PolarHBondContact OH-N 3.47Å; E172-Q176 WeakPolarHBondContact O-CB 3.32Å; E172-Q176 WeakPolarHBondContact O-CG 3.35Å; E172-Q176 PolarHBondContact O-N 3.46Å; E173-Q176 PolarHBondContact O-N 3.01Å; Q176-E178 VanDerWaalsContact C-N 3.34Å; Q176-K180 VanDerWaalsContact O-CB 3.3Å; Q176-K180 WeakPolarHBondContact O-CB 3.43Å; Q176-K180 WeakPolarHBondContact O-CD 3.31Å; Q176-K180 WeakPolarHBondContact O-CG 3.5Å; Q176-K180 PolarHBondContact O-N 3.39Å; Q176-K180 VanDerWaalsContact O-N 3.07Å |
| 177 | N | 57.2 | Low | 57.4 | Low | 93 Ų | 93 | 94.9 Ų | 94.9 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.7 | -38.6 | 173.3 | -70.6 | -26.1 | 0 | 0 | 0 | 111 | E173 E174 E175 K180 L181 | E173-N177 WeakPolarHBondContact O-CB 3.09Å; E173-N177 PolarHBondContact O-N 3.28Å; E173-N177 PolarHBondContact O-ND2 2.98Å; E173-N177 VanDerWaalsContact O-ND2 3.13Å; E174-N177 WeakPolarHBondContact O-CB 3.37Å; E174-N177 PolarHBondContact O-N 3.01Å; E175-N177 VanDerWaalsContact C-N 3.32Å; N177-K180 PolarHBondContact O-N 2.92Å; N177-L181 VanDerWaalsContact O-CB 3.24Å; N177-L181 WeakPolarHBondContact O-CB 3.34Å; N177-L181 PolarHBondContact O-N 3.25Å |
| 178 | E | 57.6 | Low | 59.3 | Low | 89 Ų | 89 | 90.7 Ų | 90.7 | 42% | 0.416 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.3 | -41.9 | 179.2 | -156.6 | -166.1 | 149.3 | 0 | 0 | 113.2 | E174 E175 Q176 L181 K182 | E174-E178 WeakPolarHBondContact O-CB 3.09Å; E174-E178 PolarHBondContact O-N 3.42Å; E175-E178 PolarHBondContact O-N 2.83Å; Q176-E178 VanDerWaalsContact C-N 3.34Å; E178-L181 WeakPolarHBondContact O-CB 3.41Å; E178-L181 PolarHBondContact O-N 3.46Å; E178-K182 WeakPolarHBondContact O-CG 3.39Å; E178-K182 PolarHBondContact O-N 3.05Å; E178-K182 VanDerWaalsContact OE1-CE 3.23Å; E178-K182 WeakPolarHBondContact OE1-CE 3.41Å; E178-K182 IonicContact OE1-NZ 2.81Å; E178-K182 PolarHBondContact OE1-NZ 2.86Å |
| 179 | A | 56.7 | Low | 60.9 | Low | 8 Ų | 8 | 83.2 Ų | 83.2 | 7% | 0.066 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y126 E175 L181 K182 E183 | Y126-A179 HydrophobicContact CD1-CB 3.26Å; Y126-A179 HydrophobicContact CD2-CB 4.27Å; Y126-A179 HydrophobicContact CE1-CB 3Å; Y126-A179 HydrophobicContact CE2-CB 4.07Å; Y126-A179 HydrophobicContact CG-CB 3.93Å; Y126-A179 VanDerWaalsContact CZ-CB 3.47Å; E175-A179 PolarHBondContact O-N 3.16Å; A179-L181 PolarHBondContact O-N 3.5Å; A179-K182 PolarHBondContact O-N 3.44Å; A179-E183 WeakPolarHBondContact O-CB 3.43Å; A179-E183 PolarHBondContact O-N 3.43Å |
| 180 | K | 62.6 | Low | 62.6 | Low | 93 Ų | 93 | 79.4 Ų | 79.4 | 40% | 0.404 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.8 | -37.6 | 173.6 | -75 | 171.3 | -172.9 | 167.4 | 0 | 109.9 | Q176 N177 K184 | Q176-K180 VanDerWaalsContact O-CB 3.3Å; Q176-K180 WeakPolarHBondContact O-CB 3.43Å; Q176-K180 WeakPolarHBondContact O-CD 3.31Å; Q176-K180 WeakPolarHBondContact O-CG 3.5Å; Q176-K180 PolarHBondContact O-N 3.39Å; Q176-K180 VanDerWaalsContact O-N 3.07Å; N177-K180 PolarHBondContact O-N 2.92Å; K180-K184 WeakPolarHBondContact O-CB 3.34Å; K180-K184 WeakPolarHBondContact O-CD 3.34Å; K180-K184 WeakPolarHBondContact O-CG 3.46Å; K180-K184 PolarHBondContact O-N 2.95Å |
| 181 | L | 67.2 | Low | 64.2 | Low | 99 Ų | 99 | 79 Ų | 79 | 52% | 0.518 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 176.2 | -169 | 71 | 0 | 0 | 0 | 111.4 | N177 E178 A179 K184 Q185 | N177-L181 VanDerWaalsContact O-CB 3.24Å; N177-L181 WeakPolarHBondContact O-CB 3.34Å; N177-L181 PolarHBondContact O-N 3.25Å; E178-L181 WeakPolarHBondContact O-CB 3.41Å; E178-L181 PolarHBondContact O-N 3.46Å; A179-L181 PolarHBondContact O-N 3.5Å; L181-K184 CarbonylContact O-C 3.52Å; L181-K184 WeakPolarHBondContact O-CB 3.44Å; L181-K184 PolarHBondContact O-N 3.36Å; L181-Q185 WeakPolarHBondContact O-CB 3.12Å; L181-Q185 PolarHBondContact O-N 3.25Å |
| 182 | K | 65.7 | Low | 65.8 | Low | 33 Ų | 33 | 75 Ų | 75 | 14% | 0.143 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.6 | -40.6 | 178.7 | -71.8 | 172.5 | 178 | 173.8 | 0 | 113 | L158 E178 A179 Q185 I186 I254 | L158-K182 PolarHBondContact O-NZ 3.31Å; E178-K182 WeakPolarHBondContact O-CG 3.39Å; E178-K182 PolarHBondContact O-N 3.05Å; E178-K182 VanDerWaalsContact OE1-CE 3.23Å; E178-K182 WeakPolarHBondContact OE1-CE 3.41Å; E178-K182 IonicContact OE1-NZ 2.81Å; E178-K182 PolarHBondContact OE1-NZ 2.86Å; A179-K182 PolarHBondContact O-N 3.44Å; K182-Q185 WeakPolarHBondContact O-CB 3.45Å; K182-Q185 PolarHBondContact O-N 3.06Å; K182-I186 WeakPolarHBondContact O-CD1 3.4Å; K182-I186 WeakPolarHBondContact O-CG1 3.4Å; K182-I186 PolarHBondContact O-N 3.44Å; K182-I254 HydrophobicContact CD-CD1 3.92Å; K182-I254 HydrophobicContact CG-CD1 4.12Å |
| 183 | E | 67.4 | Low | 67.5 | Low | 72 Ų | 72 | 70.6 Ų | 70.6 | 34% | 0.336 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 173.1 | -175.4 | 172.9 | -165.6 | 0 | 0 | 110.7 | A179 Q185 I186 Q187 | A179-E183 WeakPolarHBondContact O-CB 3.43Å; A179-E183 PolarHBondContact O-N 3.43Å; E183-Q185 VanDerWaalsContact C-N 3.29Å; E183-Q185 PolarHBondContact O-N 3.11Å; E183-I186 PolarHBondContact O-N 2.8Å; E183-Q187 WeakPolarHBondContact O-CB 3.16Å; E183-Q187 WeakPolarHBondContact O-CG 3.33Å; E183-Q187 PolarHBondContact O-N 3.07Å |
| 184 | K | 72.1 | Confident | 69 | Low | 111 Ų | 111 | 67 Ų | 67 | 48% | 0.483 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59 | -40.8 | 171 | -76.7 | 171.3 | -177.6 | -176.1 | 0 | 111.2 | K180 L181 Q187 R188 | K180-K184 WeakPolarHBondContact O-CB 3.34Å; K180-K184 WeakPolarHBondContact O-CD 3.34Å; K180-K184 WeakPolarHBondContact O-CG 3.46Å; K180-K184 PolarHBondContact O-N 2.95Å; L181-K184 CarbonylContact O-C 3.52Å; L181-K184 WeakPolarHBondContact O-CB 3.44Å; L181-K184 PolarHBondContact O-N 3.36Å; K184-Q187 CarbonylContact O-C 3.58Å; K184-Q187 PolarHBondContact O-N 2.92Å; K184-R188 VanDerWaalsContact O-CB 3.25Å; K184-R188 WeakPolarHBondContact O-CB 3.46Å; K184-R188 WeakPolarHBondContact O-CG 3.43Å; K184-R188 PolarHBondContact O-N 2.71Å |
| 185 | Q | 74 | Confident | 70.4 | Confident | 43 Ų | 43 | 62 Ų | 62 | 20% | 0.201 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63 | -44.3 | 178.9 | -169.7 | 179.3 | 17.7 | 0 | 0 | 111.7 | L181 K182 E183 Q187 R188 T189 E560 | L181-Q185 WeakPolarHBondContact O-CB 3.12Å; L181-Q185 PolarHBondContact O-N 3.25Å; K182-Q185 WeakPolarHBondContact O-CB 3.45Å; K182-Q185 PolarHBondContact O-N 3.06Å; E183-Q185 VanDerWaalsContact C-N 3.29Å; E183-Q185 PolarHBondContact O-N 3.11Å; Q185-Q187 PolarHBondContact O-N 3.34Å; Q185-R188 PolarHBondContact O-N 2.86Å; Q185-T189 WeakPolarHBondContact O-CB 3.45Å; Q185-T189 PolarHBondContact O-N 2.82Å; Q185-T189 PolarHBondContact O-OG1 3.43Å; Q185-E560 WeakPolarHBondContact CG-OE1 3.26Å; Q185-E560 PolarHBondContact NE2-OE1 3.45Å |
| 186 | I | 71.9 | Confident | 71.7 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 175.1 | -68.5 | 154.9 | 0 | 0 | 0 | 110.8 | K182 E183 T189 K190 I254 | K182-I186 WeakPolarHBondContact O-CD1 3.4Å; K182-I186 WeakPolarHBondContact O-CG1 3.4Å; K182-I186 PolarHBondContact O-N 3.44Å; E183-I186 PolarHBondContact O-N 2.8Å; I186-T189 WeakPolarHBondContact O-CB 3.4Å; I186-K190 WeakPolarHBondContact O-CB 3.23Å; I186-K190 PolarHBondContact O-N 3.5Å; I186-I254 HydrophobicContact CD1-CG2 4.28Å; I186-I254 HydrophobicContact CG1-CG2 4.21Å |
| 187 | Q | 76.2 | Confident | 73.1 | Confident | 89 Ų | 89 | 56.2 Ų | 56.2 | 42% | 0.416 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67 | -38.2 | 177.2 | -70.4 | -179.9 | 14.6 | 0 | 0 | 112.2 | E183 K184 Q185 K190 R191 | E183-Q187 WeakPolarHBondContact O-CB 3.16Å; E183-Q187 WeakPolarHBondContact O-CG 3.33Å; E183-Q187 PolarHBondContact O-N 3.07Å; K184-Q187 CarbonylContact O-C 3.58Å; K184-Q187 PolarHBondContact O-N 2.92Å; Q185-Q187 PolarHBondContact O-N 3.34Å; Q187-K190 PolarHBondContact O-N 3.35Å; Q187-R191 WeakPolarHBondContact O-CG 3.48Å; Q187-R191 PolarHBondContact O-N 2.94Å |
| 188 | R | 79.5 | Confident | 74 | Confident | 86 Ų | 86 | 57 Ų | 57 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.3 | -48 | 174.7 | -78.1 | 170.2 | 178.5 | 175.7 | -6.7 | 111 | K184 Q185 K190 R191 G192 | K184-R188 VanDerWaalsContact O-CB 3.25Å; K184-R188 WeakPolarHBondContact O-CB 3.46Å; K184-R188 WeakPolarHBondContact O-CG 3.43Å; K184-R188 PolarHBondContact O-N 2.71Å; Q185-R188 PolarHBondContact O-N 2.86Å; R188-K190 VanDerWaalsContact C-N 3.28Å; R188-K190 PolarHBondContact O-N 3.46Å; R188-R191 PolarHBondContact O-N 3.01Å; R188-R191 VanDerWaalsContact O-N 3.13Å; R188-G192 PolarHBondContact O-N 3.07Å |
| 189 | T | 78.3 | Confident | 74.7 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -52.2 | -49.6 | 172.5 | -60.8 | 0 | 0 | 0 | 0 | 110.5 | Q185 I186 R191 G192 L193 Y239 K242 | Q185-T189 WeakPolarHBondContact O-CB 3.45Å; Q185-T189 PolarHBondContact O-N 2.82Å; Q185-T189 PolarHBondContact O-OG1 3.43Å; I186-T189 WeakPolarHBondContact O-CB 3.4Å; T189-R191 PolarHBondContact O-N 3.41Å; T189-G192 PolarHBondContact O-N 2.87Å; T189-L193 HydrophobicContact CG2-CD1 4Å; T189-L193 HydrophobicContact CG2-CG 4.48Å; T189-L193 WeakPolarHBondContact O-CB 3.46Å; T189-L193 WeakPolarHBondContact O-CG 3.46Å; T189-L193 PolarHBondContact O-N 3.3Å; T189-Y239 HydrophobicContact CG2-CE1 4.47Å; T189-K242 HydrophobicContact CG2-CB 4.26Å; T189-K242 HydrophobicContact CG2-CD 3.93Å; T189-K242 HydrophobicContact CG2-CG 3.67Å; T189-K242 VanDerWaalsContact OG1-CE 3.29Å; T189-K242 WeakPolarHBondContact OG1-CE 3.45Å |
| 190 | K | 81 | Confident | 75 | Confident | 94 Ų | 94 | 55.5 Ų | 55.5 | 41% | 0.409 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 178.5 | 172.5 | 164 | -177.5 | -176.8 | 0 | 112.3 | I186 Q187 R188 L193 E194 Y239 | I186-K190 WeakPolarHBondContact O-CB 3.23Å; I186-K190 PolarHBondContact O-N 3.5Å; Q187-K190 PolarHBondContact O-N 3.35Å; R188-K190 VanDerWaalsContact C-N 3.28Å; R188-K190 PolarHBondContact O-N 3.46Å; K190-L193 PolarHBondContact O-N 3.09Å; K190-E194 WeakPolarHBondContact CE-OE1 3.36Å; K190-E194 WeakPolarHBondContact CG-OE1 3.11Å; K190-E194 WeakPolarHBondContact O-CB 3.07Å; K190-E194 VanDerWaalsContact O-CG 3.3Å; K190-E194 WeakPolarHBondContact O-CG 3.42Å; K190-E194 PolarHBondContact O-N 3.32Å; K190-Y239 VanDerWaalsContact CA-OH 3.31Å; K190-Y239 WeakPolarHBondContact CA-OH 3.24Å; K190-Y239 WeakPolarHBondContact CB-OH 3.46Å; K190-Y239 WeakPolarHBondContact CG-OH 3.38Å |
| 191 | R | 82.1 | Confident | 74.9 | Confident | 149 Ų | 149 | 54.2 Ų | 54.2 | 56% | 0.562 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.8 | -48.9 | 178.2 | -73.5 | 179 | -173.5 | 178.7 | 2.2 | 111.6 | Q187 R188 T189 L193 E194 I195 | Q187-R191 WeakPolarHBondContact O-CG 3.48Å; Q187-R191 PolarHBondContact O-N 2.94Å; R188-R191 PolarHBondContact O-N 3.01Å; R188-R191 VanDerWaalsContact O-N 3.13Å; T189-R191 PolarHBondContact O-N 3.41Å; R191-L193 VanDerWaalsContact C-N 3.31Å; R191-L193 PolarHBondContact O-N 3.45Å; R191-E194 PolarHBondContact O-N 3.33Å; R191-I195 WeakPolarHBondContact O-CB 3.35Å; R191-I195 WeakPolarHBondContact O-CD1 3.42Å; R191-I195 WeakPolarHBondContact O-CG1 3.47Å; R191-I195 PolarHBondContact O-N 2.95Å |
| 192 | G | 82.9 | Confident | 74.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R188 T189 I195 L196 | R188-G192 PolarHBondContact O-N 3.07Å; T189-G192 PolarHBondContact O-N 2.87Å; G192-I195 PolarHBondContact O-N 3.35Å; G192-L196 WeakPolarHBondContact O-CB 3.41Å; G192-L196 WeakPolarHBondContact O-CG 3.38Å; G192-L196 PolarHBondContact O-N 3.48Å |
| 193 | L | 83.2 | Confident | 73.9 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 175.5 | -75.6 | 177 | 0 | 0 | 0 | 111.8 | T189 K190 R191 I195 L196 A197 L235 Y239 I561 | T189-L193 HydrophobicContact CG2-CD1 4Å; T189-L193 HydrophobicContact CG2-CG 4.48Å; T189-L193 WeakPolarHBondContact O-CB 3.46Å; T189-L193 WeakPolarHBondContact O-CG 3.46Å; T189-L193 PolarHBondContact O-N 3.3Å; K190-L193 PolarHBondContact O-N 3.09Å; R191-L193 VanDerWaalsContact C-N 3.31Å; R191-L193 PolarHBondContact O-N 3.45Å; L193-I195 VanDerWaalsContact C-N 3.32Å; L193-I195 PolarHBondContact O-N 3.34Å; L193-L196 PolarHBondContact O-N 3.49Å; L193-A197 WeakPolarHBondContact O-CB 3.43Å; L193-A197 PolarHBondContact O-N 2.88Å; L193-L235 HydrophobicContact CB-CD2 3.91Å; L193-L235 WeakPolarHBondContact O-CD2 3.33Å; L193-Y239 HydrophobicContact CD1-CD1 3.61Å; L193-Y239 HydrophobicContact CD1-CD2 3.66Å; L193-Y239 HydrophobicContact CD1-CE1 3.73Å; L193-Y239 HydrophobicContact CD1-CE2 3.74Å; L193-Y239 HydrophobicContact CD1-CG 3.57Å; L193-I561 HydrophobicContact CB-CD1 4.34Å; L193-I561 HydrophobicContact CD2-CD1 4.05Å; L193-I561 HydrophobicContact CD2-CG2 3.83Å; L193-I561 HydrophobicContact CG-CD1 3.77Å; L193-I561 HydrophobicContact CG-CG1 4.47Å |
| 194 | E | 82.6 | Confident | 73.1 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 174.5 | -75.7 | 175 | -172 | 0 | 0 | 112.3 | K190 R191 A197 K198 L235 | K190-E194 WeakPolarHBondContact CE-OE1 3.36Å; K190-E194 WeakPolarHBondContact CG-OE1 3.11Å; K190-E194 WeakPolarHBondContact O-CB 3.07Å; K190-E194 VanDerWaalsContact O-CG 3.3Å; K190-E194 WeakPolarHBondContact O-CG 3.42Å; K190-E194 PolarHBondContact O-N 3.32Å; R191-E194 PolarHBondContact O-N 3.33Å; E194-A197 WeakPolarHBondContact O-CB 3.24Å; E194-A197 PolarHBondContact O-N 3.11Å; E194-K198 VanDerWaalsContact O-CG 3.29Å; E194-K198 WeakPolarHBondContact O-CG 3.33Å; E194-K198 PolarHBondContact O-N 3.36Å; E194-L235 HydrophobicContact CG-CD2 4.45Å |
| 195 | I | 80.8 | Confident | 71.9 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 9% | 0.092 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.1 | -48.8 | 175.9 | -69.8 | 160.6 | 0 | 0 | 0 | 110 | R191 G192 L193 A197 K198 R199 E554 V558 | R191-I195 WeakPolarHBondContact O-CB 3.35Å; R191-I195 WeakPolarHBondContact O-CD1 3.42Å; R191-I195 WeakPolarHBondContact O-CG1 3.47Å; R191-I195 PolarHBondContact O-N 2.95Å; G192-I195 PolarHBondContact O-N 3.35Å; L193-I195 VanDerWaalsContact C-N 3.32Å; L193-I195 PolarHBondContact O-N 3.34Å; I195-A197 VanDerWaalsContact C-N 3.27Å; I195-A197 PolarHBondContact O-N 3.39Å; I195-K198 PolarHBondContact O-N 3.25Å; I195-R199 HydrophobicContact CG2-CG 4.31Å; I195-R199 VanDerWaalsContact CG2-NH2 3.35Å; I195-R199 WeakPolarHBondContact O-CB 3.37Å; I195-R199 VanDerWaalsContact O-CG 3.3Å; I195-R199 WeakPolarHBondContact O-CG 3.35Å; I195-R199 PolarHBondContact O-N 3.08Å; I195-E554 HydrophobicContact CD1-CB 3.84Å; I195-E554 HydrophobicContact CD1-CG 3.6Å; I195-V558 HydrophobicContact CB-CG2 4.14Å; I195-V558 HydrophobicContact CG2-CG2 3.75Å |
| 196 | L | 77.6 | Confident | 70.5 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.4 | -44.1 | 173.2 | -75.1 | 170.8 | 0 | 0 | 0 | 110.9 | G192 L193 K198 R199 A200 L213 M234 V558 I561 | G192-L196 WeakPolarHBondContact O-CB 3.41Å; G192-L196 WeakPolarHBondContact O-CG 3.38Å; G192-L196 PolarHBondContact O-N 3.48Å; L193-L196 PolarHBondContact O-N 3.49Å; L196-K198 PolarHBondContact O-N 3.13Å; L196-R199 PolarHBondContact O-N 2.99Å; L196-A200 WeakPolarHBondContact O-CB 3.11Å; L196-A200 PolarHBondContact O-N 2.64Å; L196-L213 HydrophobicContact CD1-CD1 4.05Å; L196-L213 HydrophobicContact CD2-CD1 4.39Å; L196-M234 WeakPolarHBondContact O-CE 3.44Å; L196-V558 HydrophobicContact CD1-CG1 4.42Å; L196-V558 HydrophobicContact CD2-CG1 3.72Å; L196-V558 HydrophobicContact CG-CG1 4.08Å; L196-V558 HydrophobicContact CG-CG2 4.24Å; L196-I561 HydrophobicContact CD1-CB 4.26Å; L196-I561 HydrophobicContact CD1-CD1 4.24Å; L196-I561 HydrophobicContact CD1-CG2 3.84Å |
| 197 | A | 78.5 | Confident | 69.2 | Low | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.1 | -42.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L193 E194 I195 A201 K231 M234 L235 | L193-A197 WeakPolarHBondContact O-CB 3.43Å; L193-A197 PolarHBondContact O-N 2.88Å; E194-A197 WeakPolarHBondContact O-CB 3.24Å; E194-A197 PolarHBondContact O-N 3.11Å; I195-A197 VanDerWaalsContact C-N 3.27Å; I195-A197 PolarHBondContact O-N 3.39Å; A197-A201 PolarHBondContact O-N 3.32Å; A197-K231 HydrophobicContact CB-CG 4.1Å; A197-M234 HydrophobicContact CB-CE 4.03Å; A197-L235 HydrophobicContact CB-CD2 3.82Å; A197-L235 HydrophobicContact CB-CG 3.96Å |
| 198 | K | 76.3 | Confident | 67.7 | Low | 109 Ų | 109 | 64.7 Ų | 64.7 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.6 | -47 | 174.9 | -70 | 170.1 | -175.3 | 177.8 | 0 | 111.3 | E194 I195 L196 A200 A201 E202 | E194-K198 VanDerWaalsContact O-CG 3.29Å; E194-K198 WeakPolarHBondContact O-CG 3.33Å; E194-K198 PolarHBondContact O-N 3.36Å; I195-K198 PolarHBondContact O-N 3.25Å; L196-K198 PolarHBondContact O-N 3.13Å; K198-A200 VanDerWaalsContact C-N 3.31Å; K198-A200 PolarHBondContact O-N 3.49Å; K198-A201 CarbonylContact O-C 3.58Å; K198-A201 WeakPolarHBondContact O-CA 3.26Å; K198-A201 WeakPolarHBondContact O-CB 3.4Å; K198-A201 PolarHBondContact O-N 2.95Å; K198-E202 PolarHBondContact O-N 2.81Å |
| 199 | R | 72.6 | Confident | 65.9 | Low | 60 Ų | 60 | 68.3 Ų | 68.3 | 23% | 0.226 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.6 | -34.1 | 179 | -69.7 | 177.7 | -173.4 | 168.6 | 5.9 | 112.8 | I195 L196 A201 E202 E554 | I195-R199 HydrophobicContact CG2-CG 4.31Å; I195-R199 VanDerWaalsContact CG2-NH2 3.35Å; I195-R199 WeakPolarHBondContact O-CB 3.37Å; I195-R199 VanDerWaalsContact O-CG 3.3Å; I195-R199 WeakPolarHBondContact O-CG 3.35Å; I195-R199 PolarHBondContact O-N 3.08Å; L196-R199 PolarHBondContact O-N 2.99Å; R199-A201 VanDerWaalsContact C-N 3.32Å; R199-E202 CarbonylContact O-C 3.6Å; R199-E202 VanDerWaalsContact O-C 3.28Å; R199-E202 PolarHBondContact O-N 3.33Å; R199-E554 IonicContact NH2-OE2 3.86Å |
| 200 | A | 62.5 | Low | 64.5 | Low | 6 Ų | 6 | 69.5 Ų | 69.5 | 5% | 0.05 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -75.9 | -21.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L196 K198 Y212 M234 | L196-A200 WeakPolarHBondContact O-CB 3.11Å; L196-A200 PolarHBondContact O-N 2.64Å; K198-A200 VanDerWaalsContact C-N 3.31Å; K198-A200 PolarHBondContact O-N 3.49Å; A200-Y212 HydrophobicContact CB-CE2 4.43Å; A200-M234 HydrophobicContact CB-CE 3.31Å; A200-M234 HydrophobicContact CB-SD 3.73Å |
| 201 | A | 59.9 | Low | 63.1 | Low | 66 Ų | 66 | 68 Ų | 68 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -79.2 | -33.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A197 K198 R199 T203 | A197-A201 PolarHBondContact O-N 3.32Å; K198-A201 CarbonylContact O-C 3.58Å; K198-A201 WeakPolarHBondContact O-CA 3.26Å; K198-A201 WeakPolarHBondContact O-CB 3.4Å; K198-A201 PolarHBondContact O-N 2.95Å; R199-A201 VanDerWaalsContact C-N 3.32Å; A201-T203 PolarHBondContact O-N 3.4Å |
| 202 | E | 58.7 | Low | 61.9 | Low | 126 Ų | 126 | 64.3 Ų | 64.3 | 59% | 0.589 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -96.1 | 83.7 | 178.3 | -66.8 | 169.7 | -165.6 | 0 | 0 | 110.1 | K198 R199 V204 | K198-E202 PolarHBondContact O-N 2.81Å; R199-E202 CarbonylContact O-C 3.6Å; R199-E202 VanDerWaalsContact O-C 3.28Å; R199-E202 PolarHBondContact O-N 3.33Å; E202-V204 PolarHBondContact O-N 2.86Å |
| 203 | T | 53.3 | Low | 61.2 | Low | 76 Ų | 76 | 67 Ų | 67 | 47% | 0.466 | 35% | 0.353 | S | S | . | . | trans | -63.1 | 19.4 | -176.2 | -17.8 | 0 | 0 | 0 | 0 | 115.9 | A201 | A201-T203 PolarHBondContact O-N 3.4Š| ||
| 204 | V | 50.5 | Low | 60.6 | Low | 86 Ų | 86 | 70.1 Ų | 70.1 | 52% | 0.521 | 37% | 0.37 | S | S | . | . | trans | -121 | 70.6 | -174 | -170 | 0 | 0 | 0 | 0 | 109.6 | E202 | E202-V204 PolarHBondContact O-N 2.86Š| ||
| 205 | V | 46.8 | Very low | 60.4 | Low | 73 Ų | 73 | 68.4 Ų | 68.4 | 44% | 0.442 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -140.4 | 145.5 | 158.3 | -162.6 | 0 | 0 | 0 | 0 | 108.9 | T210 | V205-T210 HydrophobicContact CB-CG2 3.89Å; V205-T210 WeakPolarHBondContact CB-OG1 3.41Å; V205-T210 HydrophobicContact CG1-CG2 3.39Å; V205-T210 HydrophobicContact CG2-CG2 4.5Å |
| 206 | D | 44.4 | Very low | 60.2 | Low | 93 Ų | 93 | 69.1 Ų | 69.1 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | trans | -51.3 | 121.9 | -177.4 | -155 | -15.5 | 0 | 0 | 0 | 111.4 | E208 M209 T210 | D206-E208 PolarHBondContact O-N 3.36Å; D206-E208 VanDerWaalsContact O-N 3.14Å; D206-M209 HydrophobicContact CB-CB 4.49Å; D206-M209 PolarHBondContact O-N 2.86Å; D206-M209 VanDerWaalsContact O-N 3.14Å; D206-T210 PolarHBondContact O-N 2.98Å; D206-T210 VanDerWaalsContact O-N 3.12Å; D206-T210 PolarHBondContact O-OG1 3.18Å | ||
| 207 | P | 45.4 | Very low | 60.3 | Low | 47 Ų | 47 | 71.4 Ų | 71.4 | 31% | 0.305 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -22.3 | -176.1 | -24.9 | 31.9 | 0 | 0 | 0 | 115.5 | L433 | P207-L433 HydrophobicContact CG-CD1 3.48Å; P207-L433 VanDerWaalsContact CG-CD1 3.48Å; P207-L433 HydrophobicContact CG-CD2 4.34Å |
| 208 | E | 44 | Very low | 60.1 | Low | 190 Ų | 190 | 75.7 Ų | 75.7 | 89% | 0.888 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -25.7 | 179.6 | -72.6 | -175.4 | 167.7 | 0 | 0 | 112.7 | D206 | D206-E208 PolarHBondContact O-N 3.36Å; D206-E208 VanDerWaalsContact O-N 3.14Å |
| 209 | M | 43 | Very low | 60 | Low | 162 Ų | 162 | 72.7 Ų | 72.7 | 80% | 0.798 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -15.7 | -177.6 | -89.8 | -82.3 | -172.3 | 0 | 0 | 113.6 | D206 | D206-M209 HydrophobicContact CB-CB 4.49Å; D206-M209 PolarHBondContact O-N 2.86Å; D206-M209 VanDerWaalsContact O-N 3.14Å |
| 210 | T | 47.7 | Very low | 60.1 | Low | 27 Ų | 27 | 70.3 Ų | 70.3 | 17% | 0.166 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -126.6 | 114.7 | -178.4 | 46.4 | 0 | 0 | 0 | 0 | 113.4 | V205 D206 Y212 | V205-T210 HydrophobicContact CB-CG2 3.89Å; V205-T210 WeakPolarHBondContact CB-OG1 3.41Å; V205-T210 HydrophobicContact CG1-CG2 3.39Å; V205-T210 HydrophobicContact CG2-CG2 4.5Å; D206-T210 PolarHBondContact O-N 2.98Å; D206-T210 VanDerWaalsContact O-N 3.12Å; D206-T210 PolarHBondContact O-OG1 3.18Å; T210-Y212 PolarHBondContact O-N 3.24Å; T210-Y212 VanDerWaalsContact O-N 3.14Å |
| 211 | P | 51.7 | Low | 60.9 | Low | 63 Ų | 63 | 76.2 Ų | 76.2 | 41% | 0.409 | 41% | 0.409 | S | S | . | . | trans | -66.3 | 114.7 | 171.3 | 23 | -27.5 | 0 | 0 | 0 | 109 | L562 | P211-L562 HydrophobicContact CB-CD1 3.92Å; P211-L562 HydrophobicContact CB-CD2 4.06Å; P211-L562 HydrophobicContact CG-CD1 3.17Å; P211-L562 HydrophobicContact CG-CD2 4.09Å; P211-L562 HydrophobicContact CG-CG 4.26Å | ||
| 212 | Y | 57.7 | Low | 61.6 | Low | 71 Ų | 71 | 75.2 Ų | 75.2 | 28% | 0.278 | 40% | 0.398 | S | S | . | . | trans | -94.3 | 121.2 | 179.6 | -171.4 | -105.3 | 0 | 0 | 0 | 109 | A200 T210 D214 | A200-Y212 HydrophobicContact CB-CE2 4.43Å; T210-Y212 PolarHBondContact O-N 3.24Å; T210-Y212 VanDerWaalsContact O-N 3.14Å; Y212-D214 WeakPolarHBondContact CD1-OD2 3.33Å; Y212-D214 WeakPolarHBondContact CE1-OD1 3.22Å; Y212-D214 VanDerWaalsContact CE1-OD2 3.29Å; Y212-D214 WeakPolarHBondContact CE1-OD2 3.45Å | ||
| 213 | L | 67.9 | Low | 62.5 | Low | 56 Ų | 56 | 72.3 Ų | 72.3 | 29% | 0.293 | 39% | 0.386 | S | S | . | . | trans | -90.3 | 109.2 | 175.3 | -72.4 | 164.3 | 0 | 0 | 0 | 109.3 | L196 M234 I565 | L196-L213 HydrophobicContact CD1-CD1 4.05Å; L196-L213 HydrophobicContact CD2-CD1 4.39Å; L213-M234 HydrophobicContact CB-SD 4.28Å; L213-I565 HydrophobicContact CD1-CD1 3.66Å; L213-I565 HydrophobicContact CD2-CD1 3.77Å; L213-I565 HydrophobicContact CG-CD1 4.36Å | ||
| 214 | D | 71.6 | Confident | 63.4 | Low | 72 Ų | 72 | 76 Ų | 76 | 39% | 0.385 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -94.5 | 141.2 | 170.2 | -95 | -45.3 | 0 | 0 | 0 | 110.2 | Y212 | Y212-D214 WeakPolarHBondContact CD1-OD2 3.33Å; Y212-D214 WeakPolarHBondContact CE1-OD1 3.22Å; Y212-D214 VanDerWaalsContact CE1-OD2 3.29Å; Y212-D214 WeakPolarHBondContact CE1-OD2 3.45Å |
| 215 | I | 77.3 | Confident | 64.4 | Low | 23 Ų | 23 | 72.5 Ų | 72.5 | 12% | 0.118 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -89.3 | 120.8 | 176 | -61 | 167.7 | 0 | 0 | 0 | 108 | I223 I225 L233 M237 | I215-I223 HydrophobicContact CG2-CD1 4.17Å; I215-I223 HydrophobicContact CG2-CG1 4.13Å; I215-I223 WeakPolarHBondContact O-CG1 3.3Å; I215-I223 PolarHBondContact O-N 3.1Å; I215-I225 HydrophobicContact CB-CD1 3.5Å; I215-I225 VanDerWaalsContact CB-CD1 3.5Å; I215-I225 HydrophobicContact CD1-CD1 3.28Å; I215-I225 HydrophobicContact CG1-CD1 3.92Å; I215-I225 HydrophobicContact CG2-CD1 3.63Å; I215-L233 HydrophobicContact CD1-CD2 3.84Å; I215-L233 HydrophobicContact CD1-CG 4.14Å; I215-M237 HydrophobicContact CD1-SD 4.13Å; I215-M237 HydrophobicContact CG1-SD 4.13Å; I215-M237 HydrophobicContact CG2-CE 4.46Å; I215-M237 HydrophobicContact CG2-SD 4.21Å |
| 216 | A | 77.6 | Confident | 65.6 | Low | 34 Ų | 34 | 72.2 Ų | 72.2 | 28% | 0.281 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -103 | 157.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | R221 | A216-R221 CarbonylContact C-O 3.6Å; A216-R221 VanDerWaalsContact CA-O 3.28Å; A216-R221 WeakPolarHBondContact CA-O 3.33Å |
| 217 | N | 78.6 | Confident | 66.8 | Low | 59 Ų | 59 | 73.3 Ų | 73.3 | 32% | 0.316 | 38% | 0.382 | S | S | . | . | trans | -78.7 | 177.1 | 165.6 | 67.9 | 15.4 | 0 | 0 | 0 | 111.2 | T219 G220 R221 I223 | N217-T219 PolarHBondContact ND2-OG1 3.01Å; N217-T219 PolarHBondContact O-N 3.22Å; N217-T219 WeakPolarHBondContact OD1-CA 3.49Å; N217-T219 WeakPolarHBondContact OD1-CB 3.17Å; N217-T219 PolarHBondContact OD1-N 3.25Å; N217-T219 PolarHBondContact OD1-OG1 2.73Å; N217-G220 PolarHBondContact O-N 3.42Å; N217-G220 PolarHBondContact OD1-N 3.09Å; N217-R221 PolarHBondContact N-O 2.98Å; N217-R221 PolarHBondContact OD1-N 2.97Å; N217-R221 PolarHBondContact OD1-O 3.39Å; N217-I223 HydrophobicContact CB-CG2 3.79Å | ||
| 218 | Q | 75.2 | Confident | 68 | Low | 90 Ų | 90 | 76 Ų | 76 | 42% | 0.421 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -5.7 | 176.3 | 68.2 | -154.6 | -21.3 | 0 | 0 | 116.7 | I328 | Q218-I328 HydrophobicContact CG-CG2 3.94Å; Q218-I328 VanDerWaalsContact NE2-CG2 3.32Å |
| 219 | T | 73.5 | Confident | 69.6 | Low | 47 Ų | 47 | 68.4 Ų | 68.4 | 29% | 0.288 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -8.2 | 174.6 | 66.8 | 0 | 0 | 0 | 0 | 112.9 | N217 R414 I421 | N217-T219 PolarHBondContact ND2-OG1 3.01Å; N217-T219 PolarHBondContact O-N 3.22Å; N217-T219 WeakPolarHBondContact OD1-CA 3.49Å; N217-T219 WeakPolarHBondContact OD1-CB 3.17Å; N217-T219 PolarHBondContact OD1-N 3.25Å; N217-T219 PolarHBondContact OD1-OG1 2.73Å; T219-R414 PolarHBondContact O-NH2 3.33Å; T219-I421 WeakPolarHBondContact O-CD1 3.27Å |
| 220 | G | 75.6 | Confident | 71.3 | Confident | 9 Ų | 9 | 64 Ų | 64 | 9% | 0.093 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 91.7 | 10.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | N217 I421 E569 | N217-G220 PolarHBondContact O-N 3.42Å; N217-G220 PolarHBondContact OD1-N 3.09Å; G220-I421 WeakPolarHBondContact O-CG2 3.17Å; G220-E569 WeakPolarHBondContact CA-OE1 3.42Å; G220-E569 WeakPolarHBondContact CA-OE2 3.4Å |
| 221 | R | 77.5 | Confident | 72.9 | Confident | 130 Ų | 130 | 67.9 Ų | 67.9 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | trans | -94.8 | 131.8 | 179.9 | -66.6 | -175.3 | 177.9 | -150.2 | -3.7 | 111.4 | A216 N217 I223 I421 | A216-R221 CarbonylContact C-O 3.6Å; A216-R221 VanDerWaalsContact CA-O 3.28Å; A216-R221 WeakPolarHBondContact CA-O 3.33Å; N217-R221 PolarHBondContact N-O 2.98Å; N217-R221 PolarHBondContact OD1-N 2.97Å; N217-R221 PolarHBondContact OD1-O 3.39Å; R221-I223 PolarHBondContact O-N 3.32Å; R221-I421 HydrophobicContact CG-CG2 4.44Å | ||
| 222 | S | 76.1 | Confident | 74.6 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 32% | 0.315 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -56.1 | 131.2 | 178.1 | -49.2 | 0 | 0 | 0 | 0 | 112.3 | E425 | S222-E425 WeakPolarHBondContact CB-OE2 3.21Å; S222-E425 PolarHBondContact OG-OE2 3.26Å |
| 223 | I | 76.9 | Confident | 76 | Confident | 65 Ų | 65 | 62.5 Ų | 62.5 | 33% | 0.333 | 33% | 0.329 | S | S | . | . | trans | -109.3 | 148.2 | 176.2 | 58.1 | 164.5 | 0 | 0 | 0 | 111.9 | I215 N217 R221 I225 | I215-I223 HydrophobicContact CG2-CD1 4.17Å; I215-I223 HydrophobicContact CG2-CG1 4.13Å; I215-I223 WeakPolarHBondContact O-CG1 3.3Å; I215-I223 PolarHBondContact O-N 3.1Å; N217-I223 HydrophobicContact CB-CG2 3.79Å; R221-I223 PolarHBondContact O-N 3.32Å; I223-I225 HydrophobicContact CD1-CD1 4.22Å; I223-I225 HydrophobicContact CD1-CG1 4.05Å; I223-I225 HydrophobicContact CG1-CD1 4.21Å; I223-I225 HydrophobicContact CG1-CG1 4.19Å | ||
| 224 | R | 71.4 | Confident | 76.7 | Confident | 153 Ų | 153 | 60.8 Ų | 60.8 | 58% | 0.577 | 32% | 0.32 | S | S | * | . | trans | -84.9 | 118.4 | 171.7 | -72.1 | -173 | 173.5 | -149 | -14.4 | 109.4 | ||||
| 225 | I | 71.9 | Confident | 77.5 | Confident | 14 Ų | 14 | 57.7 Ų | 57.7 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | trans | -104.8 | 138.7 | 175.3 | -65.5 | 150.1 | 0 | 0 | 0 | 108.5 | I215 I223 E229 R230 L233 | I215-I225 HydrophobicContact CB-CD1 3.5Å; I215-I225 VanDerWaalsContact CB-CD1 3.5Å; I215-I225 HydrophobicContact CD1-CD1 3.28Å; I215-I225 HydrophobicContact CG1-CD1 3.92Å; I215-I225 HydrophobicContact CG2-CD1 3.63Å; I223-I225 HydrophobicContact CD1-CD1 4.22Å; I223-I225 HydrophobicContact CD1-CG1 4.05Å; I223-I225 HydrophobicContact CG1-CD1 4.21Å; I223-I225 HydrophobicContact CG1-CG1 4.19Å; I225-E229 HydrophobicContact CG2-CB 4.4Å; I225-R230 HydrophobicContact CG2-CB 4.17Å; I225-L233 HydrophobicContact CD1-CD2 3.67Å; I225-L233 HydrophobicContact CG1-CD2 4.25Å; I225-L233 HydrophobicContact CG2-CD2 4.23Å | ||
| 226 | P | 72.6 | Confident | 78.2 | Confident | 67 Ų | 67 | 56.6 Ų | 56.6 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | trans | -49.6 | 134.1 | 173.3 | -28.7 | 35.9 | 0 | 0 | 0 | 111.9 | S228 E229 R230 | P226-S228 PolarHBondContact O-N 3.02Å; P226-S228 VanDerWaalsContact O-N 3.1Å; P226-E229 PolarHBondContact O-N 2.89Å; P226-R230 PolarHBondContact O-N 3.45Å | ||
| 227 | P | 69.5 | Low | 78.7 | Confident | 116 Ų | 116 | 57.3 Ų | 57.3 | 75% | 0.753 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -56.7 | -30.1 | -179 | -25.4 | 33.3 | 0 | 0 | 0 | 113.5 | E229 | P227-E229 VanDerWaalsContact C-N 3.3Å; P227-E229 PolarHBondContact O-N 2.83Å |
| 228 | S | 70.6 | Confident | 79.1 | Confident | 102 Ų | 102 | 55 Ų | 55 | 71% | 0.713 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63 | -31.6 | 177.5 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | P226 | P226-S228 PolarHBondContact O-N 3.02Å; P226-S228 VanDerWaalsContact O-N 3.1Å |
| 229 | E | 76.9 | Confident | 79.9 | Confident | 32 Ų | 32 | 50.9 Ų | 50.9 | 15% | 0.15 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -106.7 | -21.8 | -173.7 | -66.5 | -177.5 | -145.3 | 0 | 0 | 112.8 | I225 P226 P227 K231 A232 L233 C270 | I225-E229 HydrophobicContact CG2-CB 4.4Å; P226-E229 PolarHBondContact O-N 2.89Å; P227-E229 VanDerWaalsContact C-N 3.3Å; P227-E229 PolarHBondContact O-N 2.83Å; E229-K231 VanDerWaalsContact C-N 3.26Å; E229-K231 PolarHBondContact O-N 3.39Å; E229-K231 VanDerWaalsContact O-N 3.15Å; E229-A232 PolarHBondContact O-N 3.36Å; E229-A232 VanDerWaalsContact O-N 3.13Å; E229-L233 WeakPolarHBondContact O-CB 3.5Å; E229-L233 PolarHBondContact O-N 3.49Å; E229-C270 VanDerWaalsContact CD-SG 3.57Å; E229-C270 VanDerWaalsContact OE1-CB 3.31Å; E229-C270 WeakPolarHBondContact OE1-CB 3.35Å; E229-C270 PolarHBondContact OE1-SG 2.95Å; E229-C270 PolarHBondContact OE2-N 3.44Å; E229-C270 PolarHBondContact OE2-SG 3.27Å |
| 230 | R | 78.8 | Confident | 80.8 | Confident | 68 Ų | 68 | 48.7 Ų | 48.7 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -50.8 | -43.9 | -176.6 | 176.7 | 177.6 | -85.9 | -167.7 | -12.2 | 113 | I225 P226 M234 | I225-R230 HydrophobicContact CG2-CB 4.17Å; P226-R230 PolarHBondContact O-N 3.45Å; R230-M234 WeakPolarHBondContact O-CB 3.28Å; R230-M234 PolarHBondContact O-N 3.41Å |
| 231 | K | 82.2 | Confident | 81.6 | Confident | 109 Ų | 109 | 49.8 Ų | 49.8 | 47% | 0.474 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.8 | -49.4 | -179.1 | -172.4 | -176.4 | 178 | 179.1 | 0 | 111.9 | A197 E229 L235 | A197-K231 HydrophobicContact CB-CG 4.1Å; E229-K231 VanDerWaalsContact C-N 3.26Å; E229-K231 PolarHBondContact O-N 3.39Å; E229-K231 VanDerWaalsContact O-N 3.15Å; K231-L235 HydrophobicContact CG-CD1 4.34Å; K231-L235 WeakPolarHBondContact O-CG 3.36Å; K231-L235 PolarHBondContact O-N 3.3Å; K231-L235 VanDerWaalsContact O-N 3.1Å |
| 232 | A | 87.1 | Confident | 82.1 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 8% | 0.083 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64 | -45.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | E229 M234 L235 A236 E268 | E229-A232 PolarHBondContact O-N 3.36Å; E229-A232 VanDerWaalsContact O-N 3.13Å; A232-M234 PolarHBondContact O-N 2.87Å; A232-L235 PolarHBondContact O-N 3.35Å; A232-A236 WeakPolarHBondContact O-CB 3.49Å; A232-A236 PolarHBondContact O-N 2.92Å; A232-E268 HydrophobicContact CB-CB 4.12Å |
| 233 | L | 86.6 | Confident | 82.8 | Confident | 12 Ų | 12 | 41.5 Ų | 41.5 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 179.3 | -176.5 | 63.4 | 0 | 0 | 0 | 112.3 | I215 I225 E229 A236 M237 F266 L273 | I215-L233 HydrophobicContact CD1-CD2 3.84Å; I215-L233 HydrophobicContact CD1-CG 4.14Å; I225-L233 HydrophobicContact CD1-CD2 3.67Å; I225-L233 HydrophobicContact CG1-CD2 4.25Å; I225-L233 HydrophobicContact CG2-CD2 4.23Å; E229-L233 WeakPolarHBondContact O-CB 3.5Å; E229-L233 PolarHBondContact O-N 3.49Å; L233-A236 WeakPolarHBondContact O-CB 3.45Å; L233-A236 PolarHBondContact O-N 3.45Å; L233-M237 HydrophobicContact CD1-CG 4.4Å; L233-M237 HydrophobicContact CD1-SD 4.38Å; L233-M237 HydrophobicContact CG-SD 4.14Å; L233-M237 WeakPolarHBondContact O-CG 3.32Å; L233-M237 PolarHBondContact O-N 3.48Å; L233-F266 HydrophobicContact CD1-CD1 4.31Å; L233-F266 HydrophobicContact CD1-CE1 3.81Å; L233-L273 HydrophobicContact CD1-CD2 4.37Å; L233-L273 HydrophobicContact CD2-CD2 4.06Å |
| 234 | M | 84.1 | Confident | 83.5 | Confident | 20 Ų | 20 | 39.4 Ų | 39.4 | 10% | 0.099 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.6 | -36.6 | -178.9 | -165.3 | 170.3 | 61.8 | 0 | 0 | 112.5 | L196 A197 A200 L213 R230 A232 A236 G238 | L196-M234 WeakPolarHBondContact O-CE 3.44Å; A197-M234 HydrophobicContact CB-CE 4.03Å; A200-M234 HydrophobicContact CB-CE 3.31Å; A200-M234 HydrophobicContact CB-SD 3.73Å; L213-M234 HydrophobicContact CB-SD 4.28Å; R230-M234 WeakPolarHBondContact O-CB 3.28Å; R230-M234 PolarHBondContact O-N 3.41Å; A232-M234 PolarHBondContact O-N 2.87Å; M234-A236 VanDerWaalsContact C-N 3.34Å; M234-G238 PolarHBondContact O-N 2.84Å |
| 235 | L | 87.8 | Confident | 84.4 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.5 | -46.5 | 169.4 | -71.9 | 173.1 | 0 | 0 | 0 | 110.4 | L193 E194 A197 K231 A232 M237 G238 Y239 Y265 | L193-L235 HydrophobicContact CB-CD2 3.91Å; L193-L235 WeakPolarHBondContact O-CD2 3.33Å; E194-L235 HydrophobicContact CG-CD2 4.45Å; A197-L235 HydrophobicContact CB-CD2 3.82Å; A197-L235 HydrophobicContact CB-CG 3.96Å; K231-L235 HydrophobicContact CG-CD1 4.34Å; K231-L235 WeakPolarHBondContact O-CG 3.36Å; K231-L235 PolarHBondContact O-N 3.3Å; K231-L235 VanDerWaalsContact O-N 3.1Å; A232-L235 PolarHBondContact O-N 3.35Å; L235-M237 PolarHBondContact O-N 3.14Å; L235-G238 PolarHBondContact O-N 3.14Å; L235-Y239 HydrophobicContact CB-CD2 4.48Å; L235-Y239 HydrophobicContact CD2-CE2 4.47Å; L235-Y239 WeakPolarHBondContact O-CB 3.47Å; L235-Y239 WeakPolarHBondContact O-CD2 3.45Å; L235-Y239 PolarHBondContact O-N 3.01Å; L235-Y265 HydrophobicContact CB-CD1 4.18Å; L235-Y265 HydrophobicContact CB-CD2 4.02Å; L235-Y265 HydrophobicContact CB-CE1 4.43Å; L235-Y265 HydrophobicContact CB-CE2 4.32Å; L235-Y265 HydrophobicContact CB-CG 3.97Å; L235-Y265 HydrophobicContact CD1-CD1 4.04Å; L235-Y265 HydrophobicContact CD1-CE1 3.64Å |
| 236 | A | 90.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.1 | -48.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | A232 L233 M234 H240 A262 F266 | A232-A236 WeakPolarHBondContact O-CB 3.49Å; A232-A236 PolarHBondContact O-N 2.92Å; L233-A236 WeakPolarHBondContact O-CB 3.45Å; L233-A236 PolarHBondContact O-N 3.45Å; M234-A236 VanDerWaalsContact C-N 3.34Å; A236-H240 WeakPolarHBondContact O-CB 3.49Å; A236-H240 PolarHBondContact O-N 3.41Å; A236-A262 WeakPolarHBondContact O-CB 3.16Å; A236-F266 HydrophobicContact CB-CB 4.41Å; A236-F266 HydrophobicContact CB-CD1 3.92Å; A236-F266 HydrophobicContact CB-CD2 3.56Å; A236-F266 HydrophobicContact CB-CE1 4.02Å; A236-F266 HydrophobicContact CB-CE2 3.67Å; A236-F266 HydrophobicContact CB-CG 3.69Å; A236-F266 HydrophobicContact CB-CZ 3.9Å |
| 237 | M | 88.6 | Confident | 86 | Confident | 48 Ų | 48 | 29.7 Ų | 29.7 | 24% | 0.236 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 176.5 | -69.5 | 177.4 | 71.4 | 0 | 0 | 111.6 | I215 L233 L235 Y239 H240 E241 F266 | I215-M237 HydrophobicContact CD1-SD 4.13Å; I215-M237 HydrophobicContact CG1-SD 4.13Å; I215-M237 HydrophobicContact CG2-CE 4.46Å; I215-M237 HydrophobicContact CG2-SD 4.21Å; L233-M237 HydrophobicContact CD1-CG 4.4Å; L233-M237 HydrophobicContact CD1-SD 4.38Å; L233-M237 HydrophobicContact CG-SD 4.14Å; L233-M237 WeakPolarHBondContact O-CG 3.32Å; L233-M237 PolarHBondContact O-N 3.48Å; L235-M237 PolarHBondContact O-N 3.14Å; M237-Y239 PolarHBondContact O-N 3.11Å; M237-H240 WeakPolarHBondContact O-CB 3.44Å; M237-H240 PolarHBondContact O-N 3.27Å; M237-H240 VanDerWaalsContact O-N 3.15Å; M237-E241 WeakPolarHBondContact O-CG 3.37Å; M237-E241 PolarHBondContact O-N 2.86Å; M237-F266 HydrophobicContact CG-CZ 4.34Å |
| 238 | G | 88.5 | Confident | 86.9 | Confident | 11 Ų | 11 | 30.1 Ų | 30.1 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M234 L235 H240 E241 K242 | M234-G238 PolarHBondContact O-N 2.84Å; L235-G238 PolarHBondContact O-N 3.14Å; G238-H240 VanDerWaalsContact C-N 3.33Å; G238-E241 PolarHBondContact O-N 2.82Å; G238-K242 WeakPolarHBondContact O-CB 3.24Å; G238-K242 PolarHBondContact O-N 3.19Å |
| 239 | Y | 91.2 | Very high | 87.6 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.2 | -35.9 | 172.5 | -84.1 | -68.3 | 0 | 0 | 0 | 112.4 | T189 K190 L193 L235 M237 G243 C258 D261 Y265 | T189-Y239 HydrophobicContact CG2-CE1 4.47Å; K190-Y239 VanDerWaalsContact CA-OH 3.31Å; K190-Y239 WeakPolarHBondContact CA-OH 3.24Å; K190-Y239 WeakPolarHBondContact CB-OH 3.46Å; K190-Y239 WeakPolarHBondContact CG-OH 3.38Å; L193-Y239 HydrophobicContact CD1-CD1 3.61Å; L193-Y239 HydrophobicContact CD1-CD2 3.66Å; L193-Y239 HydrophobicContact CD1-CE1 3.73Å; L193-Y239 HydrophobicContact CD1-CE2 3.74Å; L193-Y239 HydrophobicContact CD1-CG 3.57Å; L235-Y239 HydrophobicContact CB-CD2 4.48Å; L235-Y239 HydrophobicContact CD2-CE2 4.47Å; L235-Y239 WeakPolarHBondContact O-CB 3.47Å; L235-Y239 WeakPolarHBondContact O-CD2 3.45Å; L235-Y239 PolarHBondContact O-N 3.01Å; M237-Y239 PolarHBondContact O-N 3.11Å; Y239-G243 PolarHBondContact O-N 3.27Å; Y239-C258 HydrophobicContact CD1-CB 4.5Å; Y239-D261 HydrophobicContact CD1-CB 4.08Å; Y239-D261 HydrophobicContact CD2-CB 4.38Å; Y239-D261 HydrophobicContact CE1-CB 4.19Å; Y239-D261 HydrophobicContact CG-CB 4.18Å; Y239-Y265 AromaticContact CD2-CD2 3.83Å; Y239-Y265 HydrophobicContact CD2-CD2 3.83Å; Y239-Y265 AromaticContact CD2-CE2 3.83Å; Y239-Y265 HydrophobicContact CD2-CE2 3.83Å; Y239-Y265 AromaticContact CE2-CD2 3.97Å; Y239-Y265 HydrophobicContact CE2-CD2 3.97Å; Y239-Y265 AromaticContact CE2-CE2 3.47Å; Y239-Y265 HydrophobicContact CE2-CE2 3.47Å; Y239-Y265 VanDerWaalsContact CE2-CE2 3.47Å |
| 240 | H | 93.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.8 | -47.6 | 176.2 | -172.3 | -169.9 | 0 | 0 | 0 | 110.8 | A236 M237 G238 K242 G243 R244 A262 L283 D286 | A236-H240 WeakPolarHBondContact O-CB 3.49Å; A236-H240 PolarHBondContact O-N 3.41Å; M237-H240 WeakPolarHBondContact O-CB 3.44Å; M237-H240 PolarHBondContact O-N 3.27Å; M237-H240 VanDerWaalsContact O-N 3.15Å; G238-H240 VanDerWaalsContact C-N 3.33Å; H240-K242 PolarHBondContact O-N 2.98Å; H240-G243 CarbonylContact O-C 3.56Å; H240-G243 WeakPolarHBondContact O-CA 3.43Å; H240-G243 PolarHBondContact O-N 3.49Å; H240-R244 PolarHBondContact CE1-NH1 2.89Å; H240-R244 WeakPolarHBondContact O-CG 3.17Å; H240-R244 PolarHBondContact O-N 3.16Å; H240-A262 HydrophobicContact CB-CB 4.14Å; H240-L283 HydrophobicContact CB-CD1 4.43Å; H240-L283 PolarHBondContact CE1-N 3.23Å; H240-D286 IonicContact CD2-OD2 3.59Å; H240-D286 IonicContact CE1-OD2 3.76Å; H240-D286 IonicContact NE2-OD2 3.1Å; H240-D286 PolarHBondContact NE2-OD2 3.22Å |
| 241 | E | 90.6 | Very high | 88.4 | Confident | 31 Ų | 31 | 34.1 Ų | 34.1 | 15% | 0.145 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 176.1 | -62.9 | -52.5 | 165.9 | 0 | 0 | 112.4 | M237 G238 G243 R244 A245 | M237-E241 WeakPolarHBondContact O-CG 3.37Å; M237-E241 PolarHBondContact O-N 2.86Å; G238-E241 PolarHBondContact O-N 2.82Å; E241-G243 VanDerWaalsContact C-N 3.27Å; E241-G243 PolarHBondContact O-N 3.41Å; E241-R244 CarbonylContact O-C 3.53Å; E241-R244 WeakPolarHBondContact O-CA 3.37Å; E241-R244 WeakPolarHBondContact O-CB 3.27Å; E241-R244 PolarHBondContact O-N 2.9Å; E241-R244 IonicContact OE1-CZ 3.31Å; E241-R244 IonicContact OE1-NH2 3.01Å; E241-R244 PolarHBondContact OE1-NH2 2.79Å; E241-R244 IonicContact OE2-CZ 2.76Å; E241-R244 VanDerWaalsContact OE2-CZ 3.3Å; E241-R244 IonicContact OE2-NE 3.07Å; E241-R244 PolarHBondContact OE2-NE 3.36Å; E241-R244 IonicContact OE2-NH2 2.72Å; E241-R244 PolarHBondContact OE2-NH2 2.91Å; E241-A245 PolarHBondContact O-N 2.64Å |
| 242 | K | 88.8 | Confident | 88.5 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.5 | -43.3 | 175.4 | -167.6 | 82.3 | 177.6 | -178.8 | 0 | 111.3 | T189 G238 H240 R244 A245 F246 E560 D564 | T189-K242 HydrophobicContact CG2-CB 4.26Å; T189-K242 HydrophobicContact CG2-CD 3.93Å; T189-K242 HydrophobicContact CG2-CG 3.67Å; T189-K242 VanDerWaalsContact OG1-CE 3.29Å; T189-K242 WeakPolarHBondContact OG1-CE 3.45Å; G238-K242 WeakPolarHBondContact O-CB 3.24Å; G238-K242 PolarHBondContact O-N 3.19Å; H240-K242 PolarHBondContact O-N 2.98Å; K242-R244 VanDerWaalsContact C-N 3.31Å; K242-R244 PolarHBondContact O-N 3.44Å; K242-A245 PolarHBondContact O-N 2.92Å; K242-F246 HydrophobicContact CD-CE2 4.33Å; K242-F246 HydrophobicContact CG-CD2 4.19Å; K242-F246 HydrophobicContact CG-CE2 3.69Å; K242-F246 WeakPolarHBondContact O-CD2 3.45Å; K242-F246 PolarHBondContact O-N 2.73Å; K242-F246 VanDerWaalsContact O-N 3.15Å; K242-E560 IonicContact NZ-OE1 2.72Å; K242-E560 PolarHBondContact NZ-OE1 3.45Å; K242-D564 HydrophobicContact CD-CB 4.22Å; K242-D564 WeakPolarHBondContact CD-OD2 3.32Å; K242-D564 WeakPolarHBondContact CE-OD2 3.38Å; K242-D564 IonicContact NZ-OD2 3.38Å; K242-D564 PolarHBondContact NZ-OD2 3.46Å |
| 243 | G | 91.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58 | -42.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y239 H240 E241 F246 L247 | Y239-G243 PolarHBondContact O-N 3.27Å; H240-G243 CarbonylContact O-C 3.56Å; H240-G243 WeakPolarHBondContact O-CA 3.43Å; H240-G243 PolarHBondContact O-N 3.49Å; E241-G243 VanDerWaalsContact C-N 3.27Å; E241-G243 PolarHBondContact O-N 3.41Å; G243-F246 PolarHBondContact O-N 3.36Å; G243-L247 WeakPolarHBondContact O-CG 3.28Å; G243-L247 PolarHBondContact O-N 2.8Å |
| 244 | R | 91.4 | Very high | 87.9 | Confident | 20 Ų | 20 | 29.7 Ų | 29.7 | 8% | 0.075 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.4 | -38.7 | 176.4 | -72.4 | -164.2 | -80.2 | -143.5 | 6.3 | 113.2 | H240 E241 K242 F246 L247 K248 | H240-R244 PolarHBondContact CE1-NH1 2.89Å; H240-R244 WeakPolarHBondContact O-CG 3.17Å; H240-R244 PolarHBondContact O-N 3.16Å; E241-R244 CarbonylContact O-C 3.53Å; E241-R244 WeakPolarHBondContact O-CA 3.37Å; E241-R244 WeakPolarHBondContact O-CB 3.27Å; E241-R244 PolarHBondContact O-N 2.9Å; E241-R244 IonicContact OE1-CZ 3.31Å; E241-R244 IonicContact OE1-NH2 3.01Å; E241-R244 PolarHBondContact OE1-NH2 2.79Å; E241-R244 IonicContact OE2-CZ 2.76Å; E241-R244 VanDerWaalsContact OE2-CZ 3.3Å; E241-R244 IonicContact OE2-NE 3.07Å; E241-R244 PolarHBondContact OE2-NE 3.36Å; E241-R244 IonicContact OE2-NH2 2.72Å; E241-R244 PolarHBondContact OE2-NH2 2.91Å; K242-R244 VanDerWaalsContact C-N 3.31Å; K242-R244 PolarHBondContact O-N 3.44Å; R244-F246 VanDerWaalsContact C-N 3.3Å; R244-F246 PolarHBondContact O-N 3.39Å; R244-L247 WeakPolarHBondContact O-CB 3.17Å; R244-L247 PolarHBondContact O-N 2.87Å; R244-L247 VanDerWaalsContact O-N 3.12Å; R244-K248 PolarHBondContact O-N 3.48Å |
| 245 | A | 89.4 | Confident | 88.2 | Confident | 12 Ų | 12 | 28.8 Ų | 28.8 | 10% | 0.099 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.1 | -44.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | E241 K242 K248 R249 D564 | E241-A245 PolarHBondContact O-N 2.64Å; K242-A245 PolarHBondContact O-N 2.92Å; A245-K248 PolarHBondContact O-N 3.34Å; A245-R249 WeakPolarHBondContact O-CG 3.2Å; A245-R249 PolarHBondContact O-N 2.89Å; A245-R249 VanDerWaalsContact O-N 3.15Å; A245-D564 HydrophobicContact CB-CB 3.86Å |
| 246 | F | 88.3 | Confident | 88.3 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.2 | -36.3 | 173.4 | -68.8 | -57.4 | 0 | 0 | 0 | 113.3 | K242 G243 R244 R249 K250 E251 I254 A255 | K242-F246 HydrophobicContact CD-CE2 4.33Å; K242-F246 HydrophobicContact CG-CD2 4.19Å; K242-F246 HydrophobicContact CG-CE2 3.69Å; K242-F246 WeakPolarHBondContact O-CD2 3.45Å; K242-F246 PolarHBondContact O-N 2.73Å; K242-F246 VanDerWaalsContact O-N 3.15Å; G243-F246 PolarHBondContact O-N 3.36Å; R244-F246 VanDerWaalsContact C-N 3.3Å; R244-F246 PolarHBondContact O-N 3.39Å; F246-R249 CarbonylContact O-C 3.59Å; F246-R249 PolarHBondContact O-N 2.84Å; F246-K250 PolarHBondContact O-N 3.32Å; F246-K250 VanDerWaalsContact O-N 3.13Å; F246-E251 HydrophobicContact CB-CB 4.32Å; F246-E251 HydrophobicContact CD1-CB 4.29Å; F246-E251 WeakPolarHBondContact CD1-OE2 3.42Å; F246-E251 PolarHBondContact O-N 3.47Å; F246-I254 HydrophobicContact CD1-CB 4.4Å; F246-I254 HydrophobicContact CD1-CG2 4.19Å; F246-I254 HydrophobicContact CD2-CG2 3.96Å; F246-I254 HydrophobicContact CE1-CG2 3.96Å; F246-I254 HydrophobicContact CE2-CG2 3.7Å; F246-I254 HydrophobicContact CG-CB 4.42Å; F246-I254 HydrophobicContact CG-CG2 4.2Å; F246-I254 HydrophobicContact CZ-CG2 3.72Å; F246-A255 HydrophobicContact CB-CB 3.63Å |
| 247 | L | 89.9 | Confident | 88.1 | Confident | 18 Ų | 18 | 28.5 Ų | 28.5 | 9% | 0.094 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60 | -44.2 | 173.2 | -72.7 | 178.1 | 0 | 0 | 0 | 111.8 | G243 R244 R249 K250 Y252 A255 L259 D286 C290 | G243-L247 WeakPolarHBondContact O-CG 3.28Å; G243-L247 PolarHBondContact O-N 2.8Å; R244-L247 WeakPolarHBondContact O-CB 3.17Å; R244-L247 PolarHBondContact O-N 2.87Å; R244-L247 VanDerWaalsContact O-N 3.12Å; L247-R249 VanDerWaalsContact C-N 3.28Å; L247-R249 PolarHBondContact O-N 3.14Å; L247-K250 WeakPolarHBondContact O-CA 3.43Å; L247-K250 PolarHBondContact O-N 2.89Å; L247-Y252 HydrophobicContact CD2-CD1 3.68Å; L247-Y252 HydrophobicContact CD2-CE1 3.85Å; L247-A255 HydrophobicContact CD2-CB 3.98Å; L247-A255 HydrophobicContact CG-CB 4.14Å; L247-L259 HydrophobicContact CD1-CD1 4.19Å; L247-L259 HydrophobicContact CG-CD1 4.47Å; L247-D286 HydrophobicContact CD1-CB 3.86Å; L247-C290 WeakPolarHBondContact CD2-SG 3.42Å |
| 248 | K | 88.2 | Confident | 88.1 | Confident | 125 Ų | 125 | 26.3 Ų | 26.3 | 54% | 0.543 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -61.1 | -37.5 | 176.2 | -74.3 | 177.5 | 166.8 | -173.8 | 0 | 111.9 | R244 A245 K250 D571 | R244-K248 PolarHBondContact O-N 3.48Å; A245-K248 PolarHBondContact O-N 3.34Å; K248-K250 PolarHBondContact O-N 2.66Å; K248-D571 IonicContact NZ-OD1 3.44Å; K248-D571 PolarHBondContact NZ-OD1 3.19Å; K248-D571 IonicContact NZ-OD2 2.8Å; K248-D571 PolarHBondContact NZ-OD2 2.84Å |
| 249 | R | 86.5 | Confident | 88.3 | Confident | 122 Ų | 122 | 25.8 Ų | 25.8 | 46% | 0.46 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -0.2 | 173 | -63.3 | 174.9 | -171.1 | 146.1 | 9.7 | 113.7 | A245 F246 L247 E251 D564 | A245-R249 WeakPolarHBondContact O-CG 3.2Å; A245-R249 PolarHBondContact O-N 2.89Å; A245-R249 VanDerWaalsContact O-N 3.15Å; F246-R249 CarbonylContact O-C 3.59Å; F246-R249 PolarHBondContact O-N 2.84Å; L247-R249 VanDerWaalsContact C-N 3.28Å; L247-R249 PolarHBondContact O-N 3.14Å; R249-E251 HydrophobicContact CB-CG 4.1Å; R249-E251 PolarHBondContact O-N 3.36Å; R249-D564 IonicContact CZ-OD1 2.78Å; R249-D564 IonicContact NH1-OD1 3.46Å; R249-D564 IonicContact NH2-OD1 3.83Å; R249-D564 PolarHBondContact NH2-OD1 3.47Å |
| 250 | K | 86.8 | Confident | 88.3 | Confident | 106 Ų | 106 | 26 Ų | 26 | 46% | 0.461 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 22.1 | -174.9 | -56.3 | -176.5 | 175.8 | 180 | 0 | 113.6 | Q160 F246 L247 K248 Y252 | Q160-K250 PolarHBondContact NE2-O 3.03Å; F246-K250 PolarHBondContact O-N 3.32Å; F246-K250 VanDerWaalsContact O-N 3.13Å; L247-K250 WeakPolarHBondContact O-CA 3.43Å; L247-K250 PolarHBondContact O-N 2.89Å; K248-K250 PolarHBondContact O-N 2.66Å; K250-Y252 VanDerWaalsContact C-N 3.3Å; K250-Y252 HydrophobicContact CB-CE2 3.88Å; K250-Y252 WeakPolarHBondContact O-CD2 3.47Å; K250-Y252 VanDerWaalsContact O-CE2 3.31Å; K250-Y252 WeakPolarHBondContact O-CE2 3.04Å; K250-Y252 PolarHBondContact O-N 3.03Å; K250-Y252 VanDerWaalsContact O-N 3.11Å |
| 251 | E | 84.3 | Confident | 88.1 | Confident | 58 Ų | 58 | 27.9 Ų | 27.9 | 27% | 0.271 | 13% | 0.127 | S | C | . | . | trans | -87.5 | 58.9 | 179.9 | -68.9 | 179.9 | -162.7 | 0 | 0 | 112.1 | F246 R249 G253 I254 A255 | F246-E251 HydrophobicContact CB-CB 4.32Å; F246-E251 HydrophobicContact CD1-CB 4.29Å; F246-E251 WeakPolarHBondContact CD1-OE2 3.42Å; F246-E251 PolarHBondContact O-N 3.47Å; R249-E251 HydrophobicContact CB-CG 4.1Å; R249-E251 PolarHBondContact O-N 3.36Å; E251-G253 PolarHBondContact O-N 3.12Å; E251-G253 VanDerWaalsContact O-N 3.11Å; E251-I254 PolarHBondContact O-N 3.45Å; E251-A255 PolarHBondContact O-N 3.2Å | ||
| 252 | Y | 85.7 | Confident | 88.2 | Confident | 21 Ų | 21 | 26.4 Ų | 26.4 | 8% | 0.082 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.5 | -32.1 | -171.2 | -55.3 | -67.9 | 0 | 0 | 0 | 114.6 | L247 K250 I254 L256 R293 | L247-Y252 HydrophobicContact CD2-CD1 3.68Å; L247-Y252 HydrophobicContact CD2-CE1 3.85Å; K250-Y252 VanDerWaalsContact C-N 3.3Å; K250-Y252 HydrophobicContact CB-CE2 3.88Å; K250-Y252 WeakPolarHBondContact O-CD2 3.47Å; K250-Y252 VanDerWaalsContact O-CE2 3.31Å; K250-Y252 WeakPolarHBondContact O-CE2 3.04Å; K250-Y252 PolarHBondContact O-N 3.03Å; K250-Y252 VanDerWaalsContact O-N 3.11Å; Y252-I254 VanDerWaalsContact C-N 3.33Å; Y252-I254 PolarHBondContact O-N 2.9Å; Y252-L256 WeakPolarHBondContact O-CB 3.45Å; Y252-L256 PolarHBondContact O-N 3.31Å; Y252-L256 VanDerWaalsContact O-N 3.07Å; Y252-R293 HydrophobicContact CD1-CB 3.78Å; Y252-R293 HydrophobicContact CD1-CG 4.08Å; Y252-R293 HydrophobicContact CD2-CB 3.71Å; Y252-R293 HydrophobicContact CD2-CG 4.45Å; Y252-R293 HydrophobicContact CE1-CB 3.88Å; Y252-R293 HydrophobicContact CE1-CG 3.7Å; Y252-R293 HydrophobicContact CE2-CB 3.81Å; Y252-R293 HydrophobicContact CE2-CG 4.1Å; Y252-R293 HydrophobicContact CG-CB 3.71Å; Y252-R293 HydrophobicContact CG-CG 4.46Å; Y252-R293 PolarHBondContact OH-NE 2.86Å; Y252-R293 PolarHBondContact OH-NH1 2.78Å; Y252-R293 PolarHBondContact OH-NH2 2.86Å; Y252-R293 VanDerWaalsContact OH-NH2 3.07Å |
| 253 | G | 79.8 | Confident | 88.4 | Confident | 11 Ų | 11 | 27.1 Ų | 27.1 | 11% | 0.113 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.7 | -31.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L158 E251 P257 | L158-G253 VanDerWaalsContact CD2-O 3.28Å; L158-G253 WeakPolarHBondContact CD2-O 3.47Å; E251-G253 PolarHBondContact O-N 3.12Å; E251-G253 VanDerWaalsContact O-N 3.11Å; G253-P257 WeakPolarHBondContact O-CD 3.41Å; G253-P257 WeakPolarHBondContact O-CG 3.34Å |
| 254 | I | 81.9 | Confident | 88.4 | Confident | 6 Ų | 6 | 31.5 Ų | 31.5 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -90.4 | -37.8 | 176.7 | -53.5 | 177.8 | 0 | 0 | 0 | 110.2 | L158 K182 I186 F246 E251 Y252 L256 P257 | L158-I254 HydrophobicContact CD2-CG1 4.16Å; K182-I254 HydrophobicContact CD-CD1 3.92Å; K182-I254 HydrophobicContact CG-CD1 4.12Å; I186-I254 HydrophobicContact CD1-CG2 4.28Å; I186-I254 HydrophobicContact CG1-CG2 4.21Å; F246-I254 HydrophobicContact CD1-CB 4.4Å; F246-I254 HydrophobicContact CD1-CG2 4.19Å; F246-I254 HydrophobicContact CD2-CG2 3.96Å; F246-I254 HydrophobicContact CE1-CG2 3.96Å; F246-I254 HydrophobicContact CE2-CG2 3.7Å; F246-I254 HydrophobicContact CG-CB 4.42Å; F246-I254 HydrophobicContact CG-CG2 4.2Å; F246-I254 HydrophobicContact CZ-CG2 3.72Å; E251-I254 PolarHBondContact O-N 3.45Å; Y252-I254 VanDerWaalsContact C-N 3.33Å; Y252-I254 PolarHBondContact O-N 2.9Å; I254-L256 PolarHBondContact O-N 3.14Å; I254-P257 VanDerWaalsContact O-CD 3.3Å; I254-P257 WeakPolarHBondContact O-CD 3.33Å |
| 255 | A | 89.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.2 | -49.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F246 L247 E251 C258 L259 | F246-A255 HydrophobicContact CB-CB 3.63Å; L247-A255 HydrophobicContact CD2-CB 3.98Å; L247-A255 HydrophobicContact CG-CB 4.14Å; E251-A255 PolarHBondContact O-N 3.2Å; A255-C258 WeakPolarHBondContact O-CB 3.47Å; A255-C258 PolarHBondContact O-N 3Å; A255-C258 VanDerWaalsContact O-N 3.09Å; A255-L259 VanDerWaalsContact O-CG 3.32Å; A255-L259 WeakPolarHBondContact O-CG 3.39Å; A255-L259 PolarHBondContact O-N 3.19Å |
| 256 | L | 88.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.7 | -48 | -173.8 | 174.8 | 62.7 | 0 | 0 | 0 | 113.4 | M154 L156 Y252 I254 C258 L259 L260 I287 C290 Y291 L294 | M154-L256 HydrophobicContact CE-CD2 3.88Å; M154-L256 HydrophobicContact SD-CD2 4.19Å; L156-L256 HydrophobicContact CD1-CD2 3.95Å; L156-L256 HydrophobicContact CD1-CG 4.41Å; L156-L256 HydrophobicContact CD2-CD2 4.06Å; Y252-L256 WeakPolarHBondContact O-CB 3.45Å; Y252-L256 PolarHBondContact O-N 3.31Å; Y252-L256 VanDerWaalsContact O-N 3.07Å; I254-L256 PolarHBondContact O-N 3.14Å; L256-C258 PolarHBondContact O-N 3.41Å; L256-L259 PolarHBondContact O-N 3.05Å; L256-L260 HydrophobicContact CD1-CD1 4.12Å; L256-L260 HydrophobicContact CD1-CD2 4.37Å; L256-L260 HydrophobicContact CD1-CG 3.94Å; L256-L260 HydrophobicContact CG-CD1 4.18Å; L256-L260 HydrophobicContact CG-CG 4.41Å; L256-L260 WeakPolarHBondContact O-CG 3.4Å; L256-L260 PolarHBondContact O-N 3.05Å; L256-I287 HydrophobicContact CD1-CG2 4.17Å; L256-C290 HydrophobicContact CB-CB 4.13Å; L256-C290 HydrophobicContact CD1-CB 4.05Å; L256-Y291 HydrophobicContact CD1-CD1 4.1Å; L256-Y291 HydrophobicContact CD1-CE1 3.41Å; L256-Y291 VanDerWaalsContact CD1-CE1 3.41Å; L256-Y291 HydrophobicContact CD2-CD1 3.93Å; L256-Y291 HydrophobicContact CD2-CE1 3.62Å; L256-Y291 HydrophobicContact CG-CE1 4.15Å; L256-L294 HydrophobicContact CB-CD1 4.36Å; L256-L294 HydrophobicContact CD2-CD1 3.75Å |
| 257 | P | 86.4 | Confident | 88.4 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -50.1 | -48.8 | 170.5 | -31.8 | 34.9 | 0 | 0 | 0 | 114.7 | K128 L156 G253 I254 L259 L260 D261 | K128-P257 HydrophobicContact CD-CB 4.14Å; K128-P257 HydrophobicContact CD-CG 3.59Å; K128-P257 VanDerWaalsContact NZ-CB 3.31Å; L156-P257 HydrophobicContact CD1-CG 4.03Å; G253-P257 WeakPolarHBondContact O-CD 3.41Å; G253-P257 WeakPolarHBondContact O-CG 3.34Å; I254-P257 VanDerWaalsContact O-CD 3.3Å; I254-P257 WeakPolarHBondContact O-CD 3.33Å; P257-L259 PolarHBondContact O-N 2.91Å; P257-L260 PolarHBondContact O-N 3.28Å; P257-D261 PolarHBondContact O-N 2.95Å |
| 258 | C | 89.8 | Confident | 88.3 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 178.9 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | Y239 A255 L256 L260 D261 A262 | Y239-C258 HydrophobicContact CD1-CB 4.5Å; A255-C258 WeakPolarHBondContact O-CB 3.47Å; A255-C258 PolarHBondContact O-N 3Å; A255-C258 VanDerWaalsContact O-N 3.09Å; L256-C258 PolarHBondContact O-N 3.41Å; C258-L260 VanDerWaalsContact C-N 3.34Å; C258-L260 PolarHBondContact O-N 3.39Å; C258-D261 PolarHBondContact O-N 2.87Å; C258-A262 PolarHBondContact O-N 3.32Å |
| 259 | L | 92.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66 | -35 | 177.8 | -61.2 | 170.7 | 0 | 0 | 0 | 112.4 | L247 A255 L256 P257 A262 D263 L283 D286 I287 | L247-L259 HydrophobicContact CD1-CD1 4.19Å; L247-L259 HydrophobicContact CG-CD1 4.47Å; A255-L259 VanDerWaalsContact O-CG 3.32Å; A255-L259 WeakPolarHBondContact O-CG 3.39Å; A255-L259 PolarHBondContact O-N 3.19Å; L256-L259 PolarHBondContact O-N 3.05Å; P257-L259 PolarHBondContact O-N 2.91Å; L259-A262 WeakPolarHBondContact O-CB 3.27Å; L259-A262 PolarHBondContact O-N 3.5Å; L259-D263 PolarHBondContact O-N 3.04Å; L259-L283 HydrophobicContact CB-CD1 3.93Å; L259-L283 HydrophobicContact CD2-CD1 3.67Å; L259-L283 HydrophobicContact CG-CD1 4.39Å; L259-D286 HydrophobicContact CD1-CB 4.17Å; L259-D286 HydrophobicContact CD2-CB 4.29Å; L259-I287 HydrophobicContact CB-CD1 4.41Å; L259-I287 HydrophobicContact CB-CG1 3.64Å; L259-I287 HydrophobicContact CD1-CG1 4.41Å |
| 260 | L | 90.9 | Very high | 88 | Confident | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.047 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.4 | -36 | 175.1 | -70.3 | 179.1 | 0 | 0 | 0 | 112.5 | V130 L256 P257 C258 A262 D263 K264 I287 | V130-L260 HydrophobicContact CG1-CD1 3.75Å; V130-L260 HydrophobicContact CG2-CD1 4.02Å; L256-L260 HydrophobicContact CD1-CD1 4.12Å; L256-L260 HydrophobicContact CD1-CD2 4.37Å; L256-L260 HydrophobicContact CD1-CG 3.94Å; L256-L260 HydrophobicContact CG-CD1 4.18Å; L256-L260 HydrophobicContact CG-CG 4.41Å; L256-L260 WeakPolarHBondContact O-CG 3.4Å; L256-L260 PolarHBondContact O-N 3.05Å; P257-L260 PolarHBondContact O-N 3.28Å; C258-L260 VanDerWaalsContact C-N 3.34Å; C258-L260 PolarHBondContact O-N 3.39Å; L260-A262 VanDerWaalsContact C-N 3.35Å; L260-D263 PolarHBondContact O-N 2.65Å; L260-K264 PolarHBondContact O-N 3.25Å; L260-K264 VanDerWaalsContact O-N 3.1Å; L260-I287 HydrophobicContact CD2-CD1 4.46Å; L260-I287 HydrophobicContact CD2-CG2 4.34Å |
| 261 | D | 89.6 | Confident | 87.7 | Confident | 40 Ų | 40 | 34.9 Ų | 34.9 | 21% | 0.214 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.9 | -41.3 | 171.3 | -78 | -30 | 0 | 0 | 0 | 110.6 | Y239 P257 C258 D263 K264 Y265 | Y239-D261 HydrophobicContact CD1-CB 4.08Å; Y239-D261 HydrophobicContact CD2-CB 4.38Å; Y239-D261 HydrophobicContact CE1-CB 4.19Å; Y239-D261 HydrophobicContact CG-CB 4.18Å; P257-D261 PolarHBondContact O-N 2.95Å; C258-D261 PolarHBondContact O-N 2.87Å; D261-D263 PolarHBondContact O-N 3.1Å; D261-K264 WeakPolarHBondContact O-CB 3.48Å; D261-K264 PolarHBondContact O-N 3.05Å; D261-Y265 WeakPolarHBondContact O-CD2 3.49Å; D261-Y265 PolarHBondContact O-N 3.18Å; D261-Y265 VanDerWaalsContact O-N 3.14Å |
| 262 | A | 93.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.5 | -46 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A236 H240 C258 L259 L260 K264 Y265 F266 L283 | A236-A262 WeakPolarHBondContact O-CB 3.16Å; H240-A262 HydrophobicContact CB-CB 4.14Å; C258-A262 PolarHBondContact O-N 3.32Å; L259-A262 WeakPolarHBondContact O-CB 3.27Å; L259-A262 PolarHBondContact O-N 3.5Å; L260-A262 VanDerWaalsContact C-N 3.35Å; A262-K264 VanDerWaalsContact C-N 3.28Å; A262-K264 PolarHBondContact O-N 3.05Å; A262-Y265 PolarHBondContact O-N 3.41Å; A262-Y265 VanDerWaalsContact O-N 3.15Å; A262-F266 VanDerWaalsContact O-CD2 3.31Å; A262-F266 WeakPolarHBondContact O-CD2 3.26Å; A262-F266 PolarHBondContact O-N 3.37Å; A262-L283 HydrophobicContact CB-CD1 4Å; A262-L283 HydrophobicContact CB-CD2 3.78Å |
| 263 | D | 92.3 | Very high | 87.1 | Confident | 18 Ų | 18 | 40.4 Ų | 40.4 | 10% | 0.096 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60 | -40.5 | -179.7 | -170.2 | 39.1 | 0 | 0 | 0 | 111.1 | L259 L260 D261 C267 Y280 L283 Q284 I287 K306 | L259-D263 PolarHBondContact O-N 3.04Å; L260-D263 PolarHBondContact O-N 2.65Å; D261-D263 PolarHBondContact O-N 3.1Å; D263-C267 PolarHBondContact O-N 3.07Å; D263-C267 PolarHBondContact O-SG 3.27Å; D263-Y280 VanDerWaalsContact OD1-CE2 3.28Å; D263-Y280 WeakPolarHBondContact OD1-CE2 3.15Å; D263-Y280 PolarHBondContact OD1-OH 3.11Å; D263-L283 HydrophobicContact CB-CD2 4.05Å; D263-Q284 PolarHBondContact OD1-NE2 2.91Å; D263-I287 HydrophobicContact CB-CD1 3.91Å; D263-K306 IonicContact OD1-NZ 2.91Å; D263-K306 IonicContact OD2-NZ 2.98Å; D263-K306 PolarHBondContact OD2-NZ 3.39Å |
| 264 | K | 90.3 | Very high | 87.1 | Confident | 91 Ų | 91 | 40.7 Ų | 40.7 | 40% | 0.396 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.6 | -48 | 175.3 | -176 | -167 | 166 | -154.9 | 0 | 111.7 | L260 D261 A262 C267 E268 | L260-K264 PolarHBondContact O-N 3.25Å; L260-K264 VanDerWaalsContact O-N 3.1Å; D261-K264 WeakPolarHBondContact O-CB 3.48Å; D261-K264 PolarHBondContact O-N 3.05Å; A262-K264 VanDerWaalsContact C-N 3.28Å; A262-K264 PolarHBondContact O-N 3.05Å; K264-C267 WeakPolarHBondContact O-CB 3.39Å; K264-C267 PolarHBondContact O-N 3.03Å; K264-E268 PolarHBondContact O-N 3.32Å |
| 265 | Y | 90.3 | Very high | 86.8 | Confident | 28 Ų | 28 | 43.6 Ų | 43.6 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.3 | -34.5 | -179 | -72.3 | -65.6 | 0 | 0 | 0 | 112.9 | L235 Y239 D261 A262 C267 E268 | L235-Y265 HydrophobicContact CB-CD1 4.18Å; L235-Y265 HydrophobicContact CB-CD2 4.02Å; L235-Y265 HydrophobicContact CB-CE1 4.43Å; L235-Y265 HydrophobicContact CB-CE2 4.32Å; L235-Y265 HydrophobicContact CB-CG 3.97Å; L235-Y265 HydrophobicContact CD1-CD1 4.04Å; L235-Y265 HydrophobicContact CD1-CE1 3.64Å; Y239-Y265 AromaticContact CD2-CD2 3.83Å; Y239-Y265 HydrophobicContact CD2-CD2 3.83Å; Y239-Y265 AromaticContact CD2-CE2 3.83Å; Y239-Y265 HydrophobicContact CD2-CE2 3.83Å; Y239-Y265 AromaticContact CE2-CD2 3.97Å; Y239-Y265 HydrophobicContact CE2-CD2 3.97Å; Y239-Y265 AromaticContact CE2-CE2 3.47Å; Y239-Y265 HydrophobicContact CE2-CE2 3.47Å; Y239-Y265 VanDerWaalsContact CE2-CE2 3.47Å; D261-Y265 WeakPolarHBondContact O-CD2 3.49Å; D261-Y265 PolarHBondContact O-N 3.18Å; D261-Y265 VanDerWaalsContact O-N 3.14Å; A262-Y265 PolarHBondContact O-N 3.41Å; A262-Y265 VanDerWaalsContact O-N 3.15Å; Y265-C267 VanDerWaalsContact C-N 3.28Å; Y265-C267 PolarHBondContact O-N 3.21Å; Y265-E268 WeakPolarHBondContact O-CB 3.28Å; Y265-E268 PolarHBondContact O-N 3.12Å; Y265-E268 VanDerWaalsContact O-N 3.12Å |
| 266 | F | 91 | Very high | 85.9 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -40.2 | 170.1 | -85 | -64.8 | 0 | 0 | 0 | 111.3 | L233 A236 M237 A262 E268 C269 L274 N279 Y280 L283 | L233-F266 HydrophobicContact CD1-CD1 4.31Å; L233-F266 HydrophobicContact CD1-CE1 3.81Å; A236-F266 HydrophobicContact CB-CB 4.41Å; A236-F266 HydrophobicContact CB-CD1 3.92Å; A236-F266 HydrophobicContact CB-CD2 3.56Å; A236-F266 HydrophobicContact CB-CE1 4.02Å; A236-F266 HydrophobicContact CB-CE2 3.67Å; A236-F266 HydrophobicContact CB-CG 3.69Å; A236-F266 HydrophobicContact CB-CZ 3.9Å; M237-F266 HydrophobicContact CG-CZ 4.34Å; A262-F266 VanDerWaalsContact O-CD2 3.31Å; A262-F266 WeakPolarHBondContact O-CD2 3.26Å; A262-F266 PolarHBondContact O-N 3.37Å; F266-E268 PolarHBondContact O-N 3.24Å; F266-C269 VanDerWaalsContact O-CB 3.31Å; F266-C269 WeakPolarHBondContact O-CB 3.27Å; F266-C269 PolarHBondContact O-N 2.72Å; F266-L274 HydrophobicContact CB-CD2 4.17Å; F266-L274 HydrophobicContact CD1-CD2 3.71Å; F266-L274 HydrophobicContact CG-CD2 4.37Å; F266-L274 WeakPolarHBondContact O-CD1 3.27Å; F266-N279 HydrophobicContact CE1-CB 4.49Å; F266-N279 HydrophobicContact CZ-CB 4.17Å; F266-Y280 HydrophobicContact CB-CD2 3.43Å; F266-Y280 VanDerWaalsContact CB-CD2 3.43Å; F266-Y280 HydrophobicContact CB-CE2 3.61Å; F266-Y280 HydrophobicContact CB-CG 4.42Å; F266-Y280 HydrophobicContact CD1-CD2 4.21Å; F266-Y280 AromaticContact CD2-CD2 3.93Å; F266-Y280 HydrophobicContact CD2-CD2 3.93Å; F266-Y280 AromaticContact CG-CD2 3.61Å; F266-Y280 HydrophobicContact CG-CD2 3.61Å; F266-Y280 HydrophobicContact CG-CE2 4.26Å; F266-Y280 HydrophobicContact CG-CG 4.46Å; F266-L283 HydrophobicContact CD2-CD2 3.37Å; F266-L283 HydrophobicContact CE2-CD2 3.72Å |
| 267 | C | 88.4 | Confident | 85.5 | Confident | 78 Ų | 78 | 49.3 Ų | 49.3 | 53% | 0.527 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -15.4 | 176.6 | -68.6 | 0 | 0 | 0 | 0 | 114.3 | D263 K264 Y265 | D263-C267 PolarHBondContact O-N 3.07Å; D263-C267 PolarHBondContact O-SG 3.27Å; K264-C267 WeakPolarHBondContact O-CB 3.39Å; K264-C267 PolarHBondContact O-N 3.03Å; Y265-C267 VanDerWaalsContact C-N 3.28Å; Y265-C267 PolarHBondContact O-N 3.21Å |
| 268 | E | 88.4 | Confident | 85.5 | Confident | 109 Ų | 109 | 50.4 Ų | 50.4 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -16.6 | 172.6 | -65.9 | 176.4 | -170.7 | 0 | 0 | 112.2 | A232 K264 Y265 F266 | A232-E268 HydrophobicContact CB-CB 4.12Å; K264-E268 PolarHBondContact O-N 3.32Å; Y265-E268 WeakPolarHBondContact O-CB 3.28Å; Y265-E268 PolarHBondContact O-N 3.12Å; Y265-E268 VanDerWaalsContact O-N 3.12Å; F266-E268 PolarHBondContact O-N 3.24Å |
| 269 | C | 85.7 | Confident | 85.5 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -79 | 158.5 | 176.6 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | F266 L273 L274 | F266-C269 VanDerWaalsContact O-CB 3.31Å; F266-C269 WeakPolarHBondContact O-CB 3.27Å; F266-C269 PolarHBondContact O-N 2.72Å; C269-L273 HydrophobicContact CB-CD2 4.32Å; C269-L274 HydrophobicContact CB-CD2 4.26Å; C269-L274 HydrophobicContact CB-CG 4.41Å |
| 270 | C | 81.9 | Confident | 85.4 | Confident | 43 Ų | 43 | 53.3 Ų | 53.3 | 29% | 0.291 | 27% | 0.266 | S | S | . | . | trans | -68.6 | 150.3 | 179.5 | 72.3 | 0 | 0 | 0 | 0 | 111.8 | E229 E272 L273 L274 | E229-C270 VanDerWaalsContact CD-SG 3.57Å; E229-C270 VanDerWaalsContact OE1-CB 3.31Å; E229-C270 WeakPolarHBondContact OE1-CB 3.35Å; E229-C270 PolarHBondContact OE1-SG 2.95Å; E229-C270 PolarHBondContact OE2-N 3.44Å; E229-C270 PolarHBondContact OE2-SG 3.27Å; C270-E272 VanDerWaalsContact C-N 3.27Å; C270-E272 PolarHBondContact O-N 3.09Å; C270-L273 PolarHBondContact O-N 3.32Å; C270-L273 VanDerWaalsContact SG-CB 3.6Å; C270-L274 PolarHBondContact O-N 3.33Å | ||
| 271 | R | 79.9 | Confident | 85.5 | Confident | 208 Ų | 208 | 52.9 Ų | 52.9 | 79% | 0.785 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.2 | -34 | -177.8 | -70.5 | -176.2 | 177.5 | 170.4 | 0.4 | 113 | L273 L274 D275 | R271-L273 VanDerWaalsContact C-N 3.31Å; R271-L273 PolarHBondContact O-N 2.92Å; R271-L274 PolarHBondContact O-N 3.43Å; R271-D275 WeakPolarHBondContact O-CB 3.43Å; R271-D275 PolarHBondContact O-N 2.98Å |
| 272 | E | 78.6 | Confident | 85.7 | Confident | 160 Ų | 160 | 51.2 Ų | 51.2 | 75% | 0.748 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.2 | -41.3 | 179.3 | -67.2 | 161.1 | -166.2 | 0 | 0 | 111.4 | C270 T276 | C270-E272 VanDerWaalsContact C-N 3.27Å; C270-E272 PolarHBondContact O-N 3.09Å; E272-T276 WeakPolarHBondContact O-CG2 3.28Å; E272-T276 PolarHBondContact O-OG1 3.38Å |
| 273 | L | 78.6 | Confident | 85.8 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 18% | 0.178 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -48.5 | 174.2 | -179 | 65.2 | 0 | 0 | 0 | 111 | L233 C269 C270 R271 D275 T276 V277 | L233-L273 HydrophobicContact CD1-CD2 4.37Å; L233-L273 HydrophobicContact CD2-CD2 4.06Å; C269-L273 HydrophobicContact CB-CD2 4.32Å; C270-L273 PolarHBondContact O-N 3.32Å; C270-L273 VanDerWaalsContact SG-CB 3.6Å; R271-L273 VanDerWaalsContact C-N 3.31Å; R271-L273 PolarHBondContact O-N 2.92Å; L273-D275 VanDerWaalsContact C-N 3.29Å; L273-D275 PolarHBondContact O-N 2.74Å; L273-T276 PolarHBondContact O-N 2.89Å; L273-T276 VanDerWaalsContact O-N 3.14Å; L273-T276 PolarHBondContact O-OG1 2.75Å; L273-V277 HydrophobicContact CD1-CG1 4.4Å; L273-V277 WeakPolarHBondContact O-CG2 3.43Å; L273-V277 PolarHBondContact O-N 3.23Å |
| 274 | L | 80.3 | Confident | 85.8 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -30.3 | -177.7 | -62.5 | 177.2 | 0 | 0 | 0 | 113.7 | F266 C269 C270 R271 T276 Y280 | F266-L274 HydrophobicContact CB-CD2 4.17Å; F266-L274 HydrophobicContact CD1-CD2 3.71Å; F266-L274 HydrophobicContact CG-CD2 4.37Å; F266-L274 WeakPolarHBondContact O-CD1 3.27Å; C269-L274 HydrophobicContact CB-CD2 4.26Å; C269-L274 HydrophobicContact CB-CG 4.41Å; C270-L274 PolarHBondContact O-N 3.33Å; R271-L274 PolarHBondContact O-N 3.43Å; L274-T276 VanDerWaalsContact C-N 3.27Å; L274-T276 PolarHBondContact O-N 3.15Å; L274-Y280 HydrophobicContact CB-CD1 4.43Å; L274-Y280 HydrophobicContact CD2-CD1 4.46Å; L274-Y280 HydrophobicContact CD2-CD2 4.49Å; L274-Y280 HydrophobicContact CD2-CG 4.13Å |
| 275 | D | 75.2 | Confident | 86 | Confident | 67 Ų | 67 | 46.2 Ų | 46.2 | 36% | 0.358 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -76.9 | -13.6 | 178.5 | -80.1 | -25.1 | 0 | 0 | 0 | 113 | R271 L273 | R271-D275 WeakPolarHBondContact O-CB 3.43Å; R271-D275 PolarHBondContact O-N 2.98Å; L273-D275 VanDerWaalsContact C-N 3.29Å; L273-D275 PolarHBondContact O-N 2.74Å |
| 276 | T | 72.7 | Confident | 86.2 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 50% | 0.503 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -104.5 | -12.7 | -177.2 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | E272 L273 L274 | E272-T276 WeakPolarHBondContact O-CG2 3.28Å; E272-T276 PolarHBondContact O-OG1 3.38Å; L273-T276 PolarHBondContact O-N 2.89Å; L273-T276 VanDerWaalsContact O-N 3.14Å; L273-T276 PolarHBondContact O-OG1 2.75Å; L274-T276 VanDerWaalsContact C-N 3.27Å; L274-T276 PolarHBondContact O-N 3.15Å |
| 277 | V | 79.1 | Confident | 86.3 | Confident | 39 Ų | 39 | 45.5 Ų | 45.5 | 24% | 0.236 | 23% | 0.231 | C | C | . | . | trans | -115.5 | 145.6 | -179.4 | -57 | 0 | 0 | 0 | 0 | 111.5 | L273 | L273-V277 HydrophobicContact CD1-CG1 4.4Å; L273-V277 WeakPolarHBondContact O-CG2 3.43Å; L273-V277 PolarHBondContact O-N 3.23Å | ||
| 278 | D | 86.3 | Confident | 86.5 | Confident | 23 Ų | 23 | 42 Ų | 42 | 12% | 0.123 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -88.6 | -17.5 | 179.5 | 57.8 | 0.4 | 0 | 0 | 0 | 113.2 | Y280 A281 V282 F314 C317 Y318 | D278-Y280 PolarHBondContact O-N 2.94Å; D278-Y280 VanDerWaalsContact O-N 3.15Å; D278-A281 WeakPolarHBondContact O-CA 3.49Å; D278-A281 VanDerWaalsContact O-CB 3.28Å; D278-A281 WeakPolarHBondContact O-CB 3.3Å; D278-A281 PolarHBondContact O-N 3.41Å; D278-V282 WeakPolarHBondContact O-CG2 3.41Å; D278-V282 PolarHBondContact O-N 3.17Å; D278-F314 HydrophobicContact CB-CD1 4.38Å; D278-F314 HydrophobicContact CB-CE1 4.35Å; D278-C317 HydrophobicContact CB-CB 4.31Å; D278-Y318 HydrophobicContact CB-CE1 4.2Å; D278-Y318 VanDerWaalsContact CB-OH 3.27Å; D278-Y318 WeakPolarHBondContact CB-OH 3.42Å; D278-Y318 VanDerWaalsContact CG-OH 3.29Å; D278-Y318 WeakPolarHBondContact OD2-CE1 3.31Å; D278-Y318 VanDerWaalsContact OD2-CZ 3.31Å; D278-Y318 PolarHBondContact OD2-OH 2.85Å |
| 279 | N | 89.8 | Confident | 86.7 | Confident | 42 Ų | 42 | 37 Ų | 37 | 23% | 0.225 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -49.7 | -43.9 | 178.7 | -64.5 | 81.5 | 0 | 0 | 0 | 112.8 | F266 A281 V282 L283 | F266-N279 HydrophobicContact CE1-CB 4.49Å; F266-N279 HydrophobicContact CZ-CB 4.17Å; N279-A281 VanDerWaalsContact C-N 3.34Å; N279-A281 PolarHBondContact O-N 3.43Å; N279-V282 PolarHBondContact O-N 3.23Å; N279-L283 PolarHBondContact O-N 3.24Å |
| 280 | Y | 91.3 | Very high | 86.9 | Confident | 22 Ų | 22 | 36.6 Ų | 36.6 | 9% | 0.086 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.9 | -37.4 | 179.2 | -174.9 | -125.1 | 0 | 0 | 0 | 112.3 | D263 F266 L274 D278 L283 Q284 L309 | D263-Y280 VanDerWaalsContact OD1-CE2 3.28Å; D263-Y280 WeakPolarHBondContact OD1-CE2 3.15Å; D263-Y280 PolarHBondContact OD1-OH 3.11Å; F266-Y280 HydrophobicContact CB-CD2 3.43Å; F266-Y280 VanDerWaalsContact CB-CD2 3.43Å; F266-Y280 HydrophobicContact CB-CE2 3.61Å; F266-Y280 HydrophobicContact CB-CG 4.42Å; F266-Y280 HydrophobicContact CD1-CD2 4.21Å; F266-Y280 AromaticContact CD2-CD2 3.93Å; F266-Y280 HydrophobicContact CD2-CD2 3.93Å; F266-Y280 AromaticContact CG-CD2 3.61Å; F266-Y280 HydrophobicContact CG-CD2 3.61Å; F266-Y280 HydrophobicContact CG-CE2 4.26Å; F266-Y280 HydrophobicContact CG-CG 4.46Å; L274-Y280 HydrophobicContact CB-CD1 4.43Å; L274-Y280 HydrophobicContact CD2-CD1 4.46Å; L274-Y280 HydrophobicContact CD2-CD2 4.49Å; L274-Y280 HydrophobicContact CD2-CG 4.13Å; D278-Y280 PolarHBondContact O-N 2.94Å; D278-Y280 VanDerWaalsContact O-N 3.15Å; Y280-L283 HydrophobicContact CD2-CD2 4.46Å; Y280-L283 PolarHBondContact O-N 2.55Å; Y280-Q284 VanDerWaalsContact CZ-NE2 3.29Å; Y280-Q284 WeakPolarHBondContact O-CG 3.27Å; Y280-Q284 PolarHBondContact O-N 3.15Å; Y280-Q284 VanDerWaalsContact O-N 3.11Å; Y280-Q284 PolarHBondContact OH-NE2 2.94Å; Y280-L309 HydrophobicContact CD1-CD2 3.64Å; Y280-L309 HydrophobicContact CE1-CD1 3.92Å; Y280-L309 HydrophobicContact CE1-CD2 3.37Å; Y280-L309 HydrophobicContact CE1-CG 4.29Å |
| 281 | A | 91.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.5 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D278 N279 L283 Q284 L285 A310 C313 F314 | D278-A281 WeakPolarHBondContact O-CA 3.49Å; D278-A281 VanDerWaalsContact O-CB 3.28Å; D278-A281 WeakPolarHBondContact O-CB 3.3Å; D278-A281 PolarHBondContact O-N 3.41Å; N279-A281 VanDerWaalsContact C-N 3.34Å; N279-A281 PolarHBondContact O-N 3.43Å; A281-L283 VanDerWaalsContact C-N 3.33Å; A281-Q284 WeakPolarHBondContact O-CB 3.35Å; A281-Q284 PolarHBondContact O-N 3.05Å; A281-L285 PolarHBondContact O-N 2.95Å; A281-L285 VanDerWaalsContact O-N 3.09Å; A281-A310 HydrophobicContact CB-CB 4.32Å; A281-C313 HydrophobicContact CB-CB 3.53Å; A281-F314 HydrophobicContact CB-CD1 3.76Å; A281-F314 HydrophobicContact CB-CE1 3.39Å; A281-F314 HydrophobicContact CB-CE2 4.29Å; A281-F314 HydrophobicContact CB-CG 4.37Å; A281-F314 HydrophobicContact CB-CZ 3.68Å |
| 282 | V | 94.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.024 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 175 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | D278 N279 Q284 L285 D286 F314 L338 Y572 | D278-V282 WeakPolarHBondContact O-CG2 3.41Å; D278-V282 PolarHBondContact O-N 3.17Å; N279-V282 PolarHBondContact O-N 3.23Å; V282-Q284 VanDerWaalsContact C-N 3.32Å; V282-Q284 PolarHBondContact O-N 3.4Å; V282-L285 WeakPolarHBondContact O-CB 3.36Å; V282-L285 PolarHBondContact O-N 3.33Å; V282-L285 VanDerWaalsContact O-N 3.12Å; V282-D286 PolarHBondContact O-N 3.36Å; V282-F314 HydrophobicContact CG2-CE1 4Å; V282-F314 HydrophobicContact CG2-CZ 4.22Å; V282-L338 HydrophobicContact CG2-CD1 3.94Å; V282-L338 HydrophobicContact CG2-CD2 4.13Å; V282-Y572 HydrophobicContact CG1-CD2 4.09Å; V282-Y572 HydrophobicContact CG2-CD2 4.31Å; V282-Y572 HydrophobicContact CG2-CE2 4.02Å |
| 283 | L | 94.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.7 | -44 | 174.3 | 174.7 | 65.2 | 0 | 0 | 0 | 112.1 | H240 L259 A262 D263 F266 N279 Y280 A281 L285 D286 I287 | H240-L283 HydrophobicContact CB-CD1 4.43Å; H240-L283 PolarHBondContact CE1-N 3.23Å; L259-L283 HydrophobicContact CB-CD1 3.93Å; L259-L283 HydrophobicContact CD2-CD1 3.67Å; L259-L283 HydrophobicContact CG-CD1 4.39Å; A262-L283 HydrophobicContact CB-CD1 4Å; A262-L283 HydrophobicContact CB-CD2 3.78Å; D263-L283 HydrophobicContact CB-CD2 4.05Å; F266-L283 HydrophobicContact CD2-CD2 3.37Å; F266-L283 HydrophobicContact CE2-CD2 3.72Å; N279-L283 PolarHBondContact O-N 3.24Å; Y280-L283 HydrophobicContact CD2-CD2 4.46Å; Y280-L283 PolarHBondContact O-N 2.55Å; A281-L283 VanDerWaalsContact C-N 3.33Å; L283-L285 VanDerWaalsContact C-N 3.29Å; L283-L285 PolarHBondContact O-N 3.4Å; L283-D286 PolarHBondContact O-N 3.09Å; L283-I287 HydrophobicContact CD1-CD1 3.99Å; L283-I287 HydrophobicContact CD1-CG1 4.13Å; L283-I287 HydrophobicContact CD2-CD1 4.45Å; L283-I287 HydrophobicContact CG-CD1 3.85Å; L283-I287 HydrophobicContact CG-CG1 4.42Å; L283-I287 VanDerWaalsContact O-CG1 3.3Å; L283-I287 WeakPolarHBondContact O-CG1 3.28Å; L283-I287 PolarHBondContact O-N 2.96Å |
| 284 | Q | 93.5 | Very high | 88.3 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.9 | -39.7 | 177.1 | -64.3 | -38.3 | -60.6 | 0 | 0 | 111.9 | D263 Y280 A281 V282 V288 K306 L309 A310 | D263-Q284 PolarHBondContact OD1-NE2 2.91Å; Y280-Q284 VanDerWaalsContact CZ-NE2 3.29Å; Y280-Q284 WeakPolarHBondContact O-CG 3.27Å; Y280-Q284 PolarHBondContact O-N 3.15Å; Y280-Q284 VanDerWaalsContact O-N 3.11Å; Y280-Q284 PolarHBondContact OH-NE2 2.94Å; A281-Q284 WeakPolarHBondContact O-CB 3.35Å; A281-Q284 PolarHBondContact O-N 3.05Å; V282-Q284 VanDerWaalsContact C-N 3.32Å; V282-Q284 PolarHBondContact O-N 3.4Å; Q284-V288 WeakPolarHBondContact O-CG2 3.02Å; Q284-V288 PolarHBondContact O-N 2.92Å; Q284-K306 HydrophobicContact CB-CB 4.15Å; Q284-L309 HydrophobicContact CG-CD2 3.76Å; Q284-A310 HydrophobicContact CB-CB 4.18Å |
| 285 | L | 93.8 | Very high | 88.2 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.3 | -47 | 174 | -71.9 | -172.7 | 0 | 0 | 0 | 111.8 | A281 V282 L283 I287 V288 W289 L307 A310 F314 L338 L342 L345 | A281-L285 PolarHBondContact O-N 2.95Å; A281-L285 VanDerWaalsContact O-N 3.09Å; V282-L285 WeakPolarHBondContact O-CB 3.36Å; V282-L285 PolarHBondContact O-N 3.33Å; V282-L285 VanDerWaalsContact O-N 3.12Å; L283-L285 VanDerWaalsContact C-N 3.29Å; L283-L285 PolarHBondContact O-N 3.4Å; L285-I287 VanDerWaalsContact C-N 3.32Å; L285-I287 PolarHBondContact O-N 3.44Å; L285-V288 PolarHBondContact O-N 3.12Å; L285-W289 WeakPolarHBondContact O-CB 3.18Å; L285-W289 PolarHBondContact O-N 3.37Å; L285-L307 HydrophobicContact CD2-CD2 3.91Å; L285-A310 HydrophobicContact CD2-CB 4.07Å; L285-A310 HydrophobicContact CG-CB 4.18Å; L285-F314 HydrophobicContact CD1-CE2 3.55Å; L285-F314 HydrophobicContact CD1-CZ 3.6Å; L285-F314 HydrophobicContact CD2-CE2 4.49Å; L285-F314 HydrophobicContact CG-CE2 3.98Å; L285-F314 HydrophobicContact CG-CZ 4.11Å; L285-L338 HydrophobicContact CD1-CB 4.44Å; L285-L342 HydrophobicContact CD1-CB 4.43Å; L285-L342 HydrophobicContact CD2-CB 3.95Å; L285-L342 HydrophobicContact CD2-CD1 3.7Å; L285-L342 HydrophobicContact CD2-CG 4.44Å; L285-L345 HydrophobicContact CD2-CD1 4.48Å |
| 286 | D | 94.6 | Very high | 88.1 | Confident | 15 Ų | 15 | 21.5 Ų | 21.5 | 8% | 0.08 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.8 | -39.5 | -178.6 | -73.8 | -22.2 | 0 | 0 | 0 | 111.9 | H240 L247 L259 V282 L283 W289 C290 | H240-D286 IonicContact CD2-OD2 3.59Å; H240-D286 IonicContact CE1-OD2 3.76Å; H240-D286 IonicContact NE2-OD2 3.1Å; H240-D286 PolarHBondContact NE2-OD2 3.22Å; L247-D286 HydrophobicContact CD1-CB 3.86Å; L259-D286 HydrophobicContact CD1-CB 4.17Å; L259-D286 HydrophobicContact CD2-CB 4.29Å; V282-D286 PolarHBondContact O-N 3.36Å; L283-D286 PolarHBondContact O-N 3.09Å; D286-W289 WeakPolarHBondContact O-CB 3.2Å; D286-W289 PolarHBondContact O-N 3.11Å; D286-C290 PolarHBondContact O-N 3.16Å |
| 287 | I | 93.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 174.7 | -69.4 | 166.3 | 0 | 0 | 0 | 111 | L256 L259 L260 D263 L283 L285 W289 C290 Y291 K306 | L256-I287 HydrophobicContact CD1-CG2 4.17Å; L259-I287 HydrophobicContact CB-CD1 4.41Å; L259-I287 HydrophobicContact CB-CG1 3.64Å; L259-I287 HydrophobicContact CD1-CG1 4.41Å; L260-I287 HydrophobicContact CD2-CD1 4.46Å; L260-I287 HydrophobicContact CD2-CG2 4.34Å; D263-I287 HydrophobicContact CB-CD1 3.91Å; L283-I287 HydrophobicContact CD1-CD1 3.99Å; L283-I287 HydrophobicContact CD1-CG1 4.13Å; L283-I287 HydrophobicContact CD2-CD1 4.45Å; L283-I287 HydrophobicContact CG-CD1 3.85Å; L283-I287 HydrophobicContact CG-CG1 4.42Å; L283-I287 VanDerWaalsContact O-CG1 3.3Å; L283-I287 WeakPolarHBondContact O-CG1 3.28Å; L283-I287 PolarHBondContact O-N 2.96Å; L285-I287 VanDerWaalsContact C-N 3.32Å; L285-I287 PolarHBondContact O-N 3.44Å; I287-W289 VanDerWaalsContact C-N 3.33Å; I287-C290 VanDerWaalsContact O-CB 3.28Å; I287-C290 WeakPolarHBondContact O-CB 3.33Å; I287-C290 PolarHBondContact O-N 2.76Å; I287-Y291 HydrophobicContact CG2-CD2 4.1Å; I287-Y291 HydrophobicContact CG2-CE1 4.19Å; I287-Y291 HydrophobicContact CG2-CE2 3.21Å; I287-Y291 VanDerWaalsContact CG2-OH 3.27Å; I287-Y291 WeakPolarHBondContact CG2-OH 3.43Å; I287-Y291 WeakPolarHBondContact O-CD2 3.18Å; I287-Y291 PolarHBondContact O-N 3.49Å; I287-K306 HydrophobicContact CB-CD 4.3Å; I287-K306 HydrophobicContact CG2-CD 3.83Å |
| 288 | V | 92.8 | Very high | 86.8 | Confident | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.018 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68 | -35.9 | 179.2 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | Q284 L285 C290 Y291 F292 A303 K306 L307 L345 | Q284-V288 WeakPolarHBondContact O-CG2 3.02Å; Q284-V288 PolarHBondContact O-N 2.92Å; L285-V288 PolarHBondContact O-N 3.12Å; V288-C290 VanDerWaalsContact C-N 3.35Å; V288-Y291 PolarHBondContact O-N 3.4Å; V288-F292 PolarHBondContact O-N 3.19Å; V288-A303 HydrophobicContact CG1-CB 4.35Å; V288-A303 HydrophobicContact CG2-CB 4.34Å; V288-K306 HydrophobicContact CG2-CB 3.78Å; V288-K306 HydrophobicContact CG2-CD 4.25Å; V288-L307 HydrophobicContact CB-CD2 4.35Å; V288-L307 HydrophobicContact CG1-CD1 4.22Å; V288-L307 HydrophobicContact CG1-CD2 4.08Å; V288-L307 HydrophobicContact CG1-CG 4.15Å; V288-L307 HydrophobicContact CG2-CD2 4.39Å; V288-L307 HydrophobicContact CG2-CG 4.26Å; V288-L345 HydrophobicContact CB-CD1 4.18Å; V288-L345 HydrophobicContact CG1-CB 4.36Å; V288-L345 HydrophobicContact CG1-CD1 4.01Å; V288-L345 HydrophobicContact CG1-CD2 4.23Å; V288-L345 HydrophobicContact CG1-CG 4.44Å |
| 289 | W | 92.8 | Very high | 85.4 | Confident | 6 Ų | 6 | 20.1 Ų | 20.1 | 2% | 0.023 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.6 | -45.1 | 171.2 | -174.1 | -102.2 | 0 | 0 | 0 | 111.5 | L285 D286 I287 Y291 F292 R293 R341 L344 L345 D579 E580 I583 | L285-W289 WeakPolarHBondContact O-CB 3.18Å; L285-W289 PolarHBondContact O-N 3.37Å; D286-W289 WeakPolarHBondContact O-CB 3.2Å; D286-W289 PolarHBondContact O-N 3.11Å; I287-W289 VanDerWaalsContact C-N 3.33Å; W289-Y291 PolarHBondContact O-N 2.87Å; W289-F292 WeakPolarHBondContact O-CB 3.41Å; W289-F292 PolarHBondContact O-N 3.39Å; W289-R293 HydrophobicContact CD2-CG 4.49Å; W289-R293 HydrophobicContact CG-CG 4.49Å; W289-R293 WeakPolarHBondContact O-CG 3.47Å; W289-R293 PolarHBondContact O-N 3.48Å; W289-R341 HydrophobicContact CE3-CG 4.17Å; W289-R341 HydrophobicContact CZ3-CG 4.41Å; W289-L344 HydrophobicContact CZ3-CD2 4.26Å; W289-L345 HydrophobicContact CB-CD1 4.45Å; W289-L345 HydrophobicContact CE3-CD1 4.38Å; W289-L345 HydrophobicContact CE3-CD2 3.94Å; W289-L345 HydrophobicContact CE3-CG 4.32Å; W289-D579 HydrophobicContact CH2-CB 4.46Å; W289-D579 HydrophobicContact CZ2-CB 4.29Å; W289-E580 HydrophobicContact CH2-CG 4.38Å; W289-I583 HydrophobicContact CH2-CD1 3.52Å; W289-I583 HydrophobicContact CZ2-CD1 4.3Å; W289-I583 HydrophobicContact CZ3-CD1 4.15Å |
| 290 | C | 91.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -55.7 | -47 | 172.3 | -98.7 | 0 | 0 | 0 | 0 | 112.5 | L247 L256 D286 I287 V288 F292 R293 L294 | L247-C290 WeakPolarHBondContact CD2-SG 3.42Å; L256-C290 HydrophobicContact CB-CB 4.13Å; L256-C290 HydrophobicContact CD1-CB 4.05Å; D286-C290 PolarHBondContact O-N 3.16Å; I287-C290 VanDerWaalsContact O-CB 3.28Å; I287-C290 WeakPolarHBondContact O-CB 3.33Å; I287-C290 PolarHBondContact O-N 2.76Å; V288-C290 VanDerWaalsContact C-N 3.35Å; C290-F292 VanDerWaalsContact C-N 3.3Å; C290-F292 PolarHBondContact O-N 2.79Å; C290-R293 PolarHBondContact O-N 2.79Å; C290-L294 WeakPolarHBondContact O-CB 3.42Å; C290-L294 VanDerWaalsContact O-CG 3.26Å; C290-L294 WeakPolarHBondContact O-CG 3.35Å; C290-L294 PolarHBondContact O-N 3.25Å |
| 291 | Y | 87.7 | Confident | 82.2 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 177.9 | -59.9 | -38.2 | 0 | 0 | 0 | 112.9 | M154 L256 I287 V288 W289 E295 Q296 L300 K306 | M154-Y291 HydrophobicContact CE-CD1 4.45Å; M154-Y291 HydrophobicContact SD-CD1 4.29Å; M154-Y291 HydrophobicContact SD-CE1 4.44Å; L256-Y291 HydrophobicContact CD1-CD1 4.1Å; L256-Y291 HydrophobicContact CD1-CE1 3.41Å; L256-Y291 VanDerWaalsContact CD1-CE1 3.41Å; L256-Y291 HydrophobicContact CD2-CD1 3.93Å; L256-Y291 HydrophobicContact CD2-CE1 3.62Å; L256-Y291 HydrophobicContact CG-CE1 4.15Å; I287-Y291 HydrophobicContact CG2-CD2 4.1Å; I287-Y291 HydrophobicContact CG2-CE1 4.19Å; I287-Y291 HydrophobicContact CG2-CE2 3.21Å; I287-Y291 VanDerWaalsContact CG2-OH 3.27Å; I287-Y291 WeakPolarHBondContact CG2-OH 3.43Å; I287-Y291 WeakPolarHBondContact O-CD2 3.18Å; I287-Y291 PolarHBondContact O-N 3.49Å; V288-Y291 PolarHBondContact O-N 3.4Å; W289-Y291 PolarHBondContact O-N 2.87Å; Y291-E295 PolarHBondContact O-N 2.88Å; Y291-Q296 PolarHBondContact O-N 3.48Å; Y291-L300 HydrophobicContact CD1-CD1 3.72Å; Y291-L300 HydrophobicContact CD2-CD1 3.43Å; Y291-L300 VanDerWaalsContact CD2-CD1 3.43Å; Y291-L300 HydrophobicContact CE1-CD1 3.26Å; Y291-L300 HydrophobicContact CE2-CD1 2.94Å; Y291-L300 HydrophobicContact CE2-CG 4.31Å; Y291-L300 HydrophobicContact CG-CD1 3.81Å; Y291-L300 WeakPolarHBondContact OH-CD1 3.38Å; Y291-K306 HydrophobicContact CE2-CD 4.5Å |
| 292 | F | 88 | Confident | 81.3 | Confident | 26 Ų | 26 | 24.5 Ų | 24.5 | 11% | 0.114 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.7 | -51.3 | 174.8 | 173.2 | -107.2 | 0 | 0 | 0 | 111.1 | V288 W289 C290 L294 E295 L297 L345 I348 I583 Y587 | V288-F292 PolarHBondContact O-N 3.19Å; W289-F292 WeakPolarHBondContact O-CB 3.41Å; W289-F292 PolarHBondContact O-N 3.39Å; C290-F292 VanDerWaalsContact C-N 3.3Å; C290-F292 PolarHBondContact O-N 2.79Å; F292-L294 VanDerWaalsContact C-N 3.27Å; F292-L294 PolarHBondContact O-N 3.46Å; F292-E295 WeakPolarHBondContact O-CA 3.24Å; F292-E295 PolarHBondContact O-N 3.18Å; F292-L297 HydrophobicContact CB-CD2 4.01Å; F292-L297 HydrophobicContact CD2-CD1 4.09Å; F292-L297 HydrophobicContact CD2-CD2 4.28Å; F292-L297 HydrophobicContact CD2-CG 4.46Å; F292-L345 HydrophobicContact CB-CD2 4.17Å; F292-L345 HydrophobicContact CG-CD2 4.45Å; F292-I348 HydrophobicContact CD2-CD1 4.18Å; F292-I348 HydrophobicContact CD2-CG2 3.86Å; F292-I348 HydrophobicContact CE2-CD1 3.86Å; F292-I348 HydrophobicContact CE2-CG2 3.88Å; F292-I348 HydrophobicContact CZ-CD1 4.06Å; F292-I583 HydrophobicContact CE1-CD1 3.66Å; F292-I583 HydrophobicContact CE1-CG1 4.21Å; F292-I583 HydrophobicContact CE1-CG2 4.25Å; F292-I583 HydrophobicContact CZ-CD1 4.27Å; F292-I583 HydrophobicContact CZ-CG1 4.35Å; F292-I583 HydrophobicContact CZ-CG2 3.85Å; F292-Y587 HydrophobicContact CE2-CE2 4.04Å; F292-Y587 HydrophobicContact CZ-CE2 4.16Å |
| 293 | R | 87.9 | Confident | 80.8 | Confident | 67 Ų | 67 | 24.5 Ų | 24.5 | 25% | 0.253 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -67.6 | -24.6 | -177.7 | -63.9 | -61.9 | -71.5 | -103.5 | 7.7 | 114 | Y252 W289 C290 E295 D579 | Y252-R293 HydrophobicContact CD1-CB 3.78Å; Y252-R293 HydrophobicContact CD1-CG 4.08Å; Y252-R293 HydrophobicContact CD2-CB 3.71Å; Y252-R293 HydrophobicContact CD2-CG 4.45Å; Y252-R293 HydrophobicContact CE1-CB 3.88Å; Y252-R293 HydrophobicContact CE1-CG 3.7Å; Y252-R293 HydrophobicContact CE2-CB 3.81Å; Y252-R293 HydrophobicContact CE2-CG 4.1Å; Y252-R293 HydrophobicContact CG-CB 3.71Å; Y252-R293 HydrophobicContact CG-CG 4.46Å; Y252-R293 PolarHBondContact OH-NE 2.86Å; Y252-R293 PolarHBondContact OH-NH1 2.78Å; Y252-R293 PolarHBondContact OH-NH2 2.86Å; Y252-R293 VanDerWaalsContact OH-NH2 3.07Å; W289-R293 HydrophobicContact CD2-CG 4.49Å; W289-R293 HydrophobicContact CG-CG 4.49Å; W289-R293 WeakPolarHBondContact O-CG 3.47Å; W289-R293 PolarHBondContact O-N 3.48Å; C290-R293 PolarHBondContact O-N 2.79Å; R293-E295 VanDerWaalsContact C-N 3.28Å; R293-D579 IonicContact CZ-OD2 2.94Å; R293-D579 IonicContact NH1-OD2 2.75Å; R293-D579 PolarHBondContact NH1-OD2 3.29Å; R293-D579 IonicContact NH2-OD2 3.99Å |
| 294 | L | 83.3 | Confident | 80.4 | Confident | 30 Ų | 30 | 28.3 Ų | 28.3 | 16% | 0.157 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 1.3 | 172.6 | -65.9 | 168.5 | 0 | 0 | 0 | 113 | M154 L156 L256 C290 F292 Q296 | M154-L294 HydrophobicContact CE-CB 3.87Å; M154-L294 HydrophobicContact CE-CD1 3.6Å; M154-L294 HydrophobicContact CE-CG 4.37Å; L156-L294 HydrophobicContact CD2-CD1 3.72Å; L256-L294 HydrophobicContact CB-CD1 4.36Å; L256-L294 HydrophobicContact CD2-CD1 3.75Å; C290-L294 WeakPolarHBondContact O-CB 3.42Å; C290-L294 VanDerWaalsContact O-CG 3.26Å; C290-L294 WeakPolarHBondContact O-CG 3.35Å; C290-L294 PolarHBondContact O-N 3.25Å; F292-L294 VanDerWaalsContact C-N 3.27Å; F292-L294 PolarHBondContact O-N 3.46Å; L294-Q296 HydrophobicContact CB-CG 4.46Å; L294-Q296 VanDerWaalsContact O-CG 3.27Å; L294-Q296 WeakPolarHBondContact O-CG 3.48Å; L294-Q296 PolarHBondContact O-N 3.33Å |
| 295 | E | 78.6 | Confident | 80.1 | Confident | 83 Ų | 83 | 34.5 Ų | 34.5 | 39% | 0.388 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 24.9 | -175.8 | -51.4 | -173.2 | 156 | 0 | 0 | 115.2 | M1 P91 K94 Y291 F292 R293 | M1-E295 WeakPolarHBondContact CE-OE2 3.46Å; P91-E295 WeakPolarHBondContact CB-OE2 3.45Å; P91-E295 HydrophobicContact CG-CB 4.19Å; P91-E295 HydrophobicContact CG-CG 4.06Å; P91-E295 WeakPolarHBondContact CG-OE2 3.47Å; K94-E295 IonicContact NZ-OE2 2.69Å; K94-E295 PolarHBondContact NZ-OE2 3.14Å; Y291-E295 PolarHBondContact O-N 2.88Å; F292-E295 WeakPolarHBondContact O-CA 3.24Å; F292-E295 PolarHBondContact O-N 3.18Å; R293-E295 VanDerWaalsContact C-N 3.28Å |
| 296 | Q | 72.2 | Confident | 79.9 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 2% | 0.023 | 17% | 0.166 | C | C | . | . | trans | -114.5 | 40.7 | -175.8 | -55.1 | -153.4 | 2.9 | 0 | 0 | 112.7 | F88 L89 M154 Y291 L294 E298 C299 | F88-Q296 PolarHBondContact O-NE2 3.19Å; L89-Q296 PolarHBondContact O-NE2 2.78Å; M154-Q296 VanDerWaalsContact CB-OE1 3.32Å; M154-Q296 HydrophobicContact CE-CB 3.67Å; M154-Q296 VanDerWaalsContact CE-CD 3.48Å; M154-Q296 HydrophobicContact CE-CG 3.72Å; M154-Q296 VanDerWaalsContact CE-OE1 3.31Å; M154-Q296 HydrophobicContact SD-CB 4.03Å; M154-Q296 HydrophobicContact SD-CG 4.43Å; M154-Q296 PolarHBondContact SD-OE1 2.83Å; Y291-Q296 PolarHBondContact O-N 3.48Å; L294-Q296 HydrophobicContact CB-CG 4.46Å; L294-Q296 VanDerWaalsContact O-CG 3.27Å; L294-Q296 WeakPolarHBondContact O-CG 3.48Å; L294-Q296 PolarHBondContact O-N 3.33Å; Q296-E298 PolarHBondContact O-N 2.91Å; Q296-E298 VanDerWaalsContact O-N 3.11Å; Q296-C299 HydrophobicContact CB-CB 4.42Å; Q296-C299 WeakPolarHBondContact O-CB 3.17Å; Q296-C299 PolarHBondContact O-N 3.14Å; Q296-C299 VanDerWaalsContact O-N 3.14Å; Q296-C299 PolarHBondContact OE1-SG 2.78Å | ||
| 297 | L | 67.4 | Low | 79.8 | Confident | 29 Ų | 29 | 34.2 Ų | 34.2 | 15% | 0.152 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -54.4 | -29.1 | 174.6 | -67.1 | 166.8 | 0 | 0 | 0 | 113.3 | F292 C299 I348 H352 | F292-L297 HydrophobicContact CB-CD2 4.01Å; F292-L297 HydrophobicContact CD2-CD1 4.09Å; F292-L297 HydrophobicContact CD2-CD2 4.28Å; F292-L297 HydrophobicContact CD2-CG 4.46Å; L297-C299 VanDerWaalsContact C-N 3.32Å; L297-C299 PolarHBondContact O-N 3.33Å; L297-I348 HydrophobicContact CD1-CG2 3.92Å; L297-H352 WeakPolarHBondContact CD1-CD2 3.16Å; L297-H352 WeakPolarHBondContact CD1-NE2 3.3Å |
| 298 | E | 57.2 | Low | 79.7 | Confident | 71 Ų | 71 | 38 Ų | 38 | 33% | 0.332 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -76 | -17.3 | -177.2 | -67.8 | 169.1 | 156.1 | 0 | 0 | 114.1 | K5 F88 K152 Q296 L300 | K5-E298 HydrophobicContact CD-CG 4.27Å; K5-E298 WeakPolarHBondContact CD-OE1 3.31Å; K5-E298 WeakPolarHBondContact CE-OE1 3.39Å; K5-E298 VanDerWaalsContact CE-OE2 3.24Å; K5-E298 WeakPolarHBondContact CE-OE2 3.37Å; K5-E298 VanDerWaalsContact CG-OE1 3.31Å; K5-E298 WeakPolarHBondContact CG-OE1 3.41Å; K5-E298 IonicContact NZ-OE1 3.7Å; K5-E298 PolarHBondContact NZ-OE1 2.77Å; K5-E298 IonicContact NZ-OE2 3.3Å; K5-E298 PolarHBondContact NZ-OE2 3.36Å; F88-E298 HydrophobicContact CE1-CB 3.94Å; F88-E298 HydrophobicContact CZ-CB 4.41Å; K152-E298 PolarHBondContact NZ-O 3.44Å; Q296-E298 PolarHBondContact O-N 2.91Å; Q296-E298 VanDerWaalsContact O-N 3.11Å; E298-L300 PolarHBondContact O-N 3.03Å; E298-L300 VanDerWaalsContact O-N 3.14Å |
| 299 | C | 57.7 | Low | 79.6 | Confident | 14 Ų | 14 | 40.6 Ų | 40.6 | 10% | 0.095 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -67.6 | -11 | -178.8 | -75.5 | 0 | 0 | 0 | 0 | 112.2 | F88 M154 Q296 L297 | F88-C299 WeakPolarHBondContact CB-SG 3.29Å; F88-C299 WeakPolarHBondContact CD2-SG 3.4Å; F88-C299 WeakPolarHBondContact CG-SG 3.46Å; M154-C299 HydrophobicContact CB-CB 4.33Å; M154-C299 HydrophobicContact SD-CB 4.36Å; Q296-C299 HydrophobicContact CB-CB 4.42Å; Q296-C299 WeakPolarHBondContact O-CB 3.17Å; Q296-C299 PolarHBondContact O-N 3.14Å; Q296-C299 VanDerWaalsContact O-N 3.14Å; Q296-C299 PolarHBondContact OE1-SG 2.78Å; L297-C299 VanDerWaalsContact C-N 3.32Å; L297-C299 PolarHBondContact O-N 3.33Å |
| 300 | L | 53.9 | Low | 79.6 | Confident | 22 Ų | 22 | 40.3 Ų | 40.3 | 12% | 0.115 | 20% | 0.196 | C | C | . | . | trans | -146.8 | 98 | -164.2 | -71.4 | 171.2 | 0 | 0 | 0 | 113.2 | K133 Y291 E298 D302 A303 | K133-L300 HydrophobicContact CG-CD2 3.93Å; Y291-L300 HydrophobicContact CD1-CD1 3.72Å; Y291-L300 HydrophobicContact CD2-CD1 3.43Å; Y291-L300 VanDerWaalsContact CD2-CD1 3.43Å; Y291-L300 HydrophobicContact CE1-CD1 3.26Å; Y291-L300 HydrophobicContact CE2-CD1 2.94Å; Y291-L300 HydrophobicContact CE2-CG 4.31Å; Y291-L300 HydrophobicContact CG-CD1 3.81Å; Y291-L300 WeakPolarHBondContact OH-CD1 3.38Å; E298-L300 PolarHBondContact O-N 3.03Å; E298-L300 VanDerWaalsContact O-N 3.14Å; L300-D302 HydrophobicContact CB-CB 3.73Å; L300-D302 HydrophobicContact CD1-CB 4.48Å; L300-D302 HydrophobicContact CD2-CB 3.7Å; L300-D302 HydrophobicContact CG-CB 4.15Å; L300-D302 PolarHBondContact O-N 3.39Å; L300-A303 PolarHBondContact O-N 3.44Å | ||
| 301 | D | 59.8 | Low | 79.6 | Confident | 126 Ų | 126 | 42 Ų | 42 | 67% | 0.674 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -8 | 146.9 | -59.1 | -42.8 | 0 | 0 | 0 | 112 | ||
| 302 | D | 73.8 | Confident | 79.7 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.043 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.9 | -33.2 | 169.9 | -154.1 | 25.5 | 0 | 0 | 0 | 114.2 | K133 L300 E304 K305 K306 | K133-D302 HydrophobicContact CD-CB 4.04Å; K133-D302 WeakPolarHBondContact CD-OD1 3.47Å; K133-D302 WeakPolarHBondContact CD-OD2 3.32Å; K133-D302 WeakPolarHBondContact CE-OD1 3.33Å; K133-D302 HydrophobicContact CG-CB 4Å; K133-D302 WeakPolarHBondContact CG-OD2 3.3Å; K133-D302 VanDerWaalsContact NZ-CG 3.32Å; K133-D302 IonicContact NZ-OD1 3.84Å; K133-D302 PolarHBondContact NZ-OD1 3.42Å; K133-D302 IonicContact NZ-OD2 2.61Å; L300-D302 HydrophobicContact CB-CB 3.73Å; L300-D302 HydrophobicContact CD1-CB 4.48Å; L300-D302 HydrophobicContact CD2-CB 3.7Å; L300-D302 HydrophobicContact CG-CB 4.15Å; L300-D302 PolarHBondContact O-N 3.39Å; D302-E304 VanDerWaalsContact C-N 3.3Å; D302-E304 PolarHBondContact O-N 2.97Å; D302-K305 CarbonylContact O-C 3.58Å; D302-K305 WeakPolarHBondContact O-CA 3.42Å; D302-K305 WeakPolarHBondContact O-CB 3.34Å; D302-K305 PolarHBondContact O-N 3.43Å; D302-K306 WeakPolarHBondContact O-CB 3.38Å; D302-K306 WeakPolarHBondContact O-CG 3.31Å; D302-K306 PolarHBondContact O-N 3.12Å; D302-K306 WeakPolarHBondContact OD2-CE 3.19Å; D302-K306 IonicContact OD2-NZ 2.67Å; D302-K306 PolarHBondContact OD2-NZ 2.91Å |
| 303 | A | 83.6 | Confident | 79.8 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.1 | -42.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V288 L300 K306 L307 | V288-A303 HydrophobicContact CG1-CB 4.35Å; V288-A303 HydrophobicContact CG2-CB 4.34Å; L300-A303 PolarHBondContact O-N 3.44Å; A303-K306 PolarHBondContact O-N 3.39Å; A303-L307 WeakPolarHBondContact O-CB 3.32Å; A303-L307 VanDerWaalsContact O-CG 3.22Å; A303-L307 WeakPolarHBondContact O-CG 3.42Å; A303-L307 PolarHBondContact O-N 2.95Å |
| 304 | E | 85.3 | Confident | 79.9 | Confident | 80 Ų | 80 | 43.5 Ų | 43.5 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62 | -45.4 | 172.9 | 178.8 | 176.3 | -161.1 | 0 | 0 | 112.4 | D302 K306 L307 N308 R349 | D302-E304 VanDerWaalsContact C-N 3.3Å; D302-E304 PolarHBondContact O-N 2.97Å; E304-K306 VanDerWaalsContact C-N 3.33Å; E304-K306 PolarHBondContact O-N 3.27Å; E304-L307 PolarHBondContact O-N 3.41Å; E304-N308 WeakPolarHBondContact O-CB 3.44Å; E304-N308 PolarHBondContact O-N 3.07Å; E304-N308 PolarHBondContact O-ND2 2.86Å; E304-R349 IonicContact OE1-CZ 2.74Å; E304-R349 IonicContact OE1-NH2 3.47Å; E304-R349 PolarHBondContact OE1-NH2 3.28Å; E304-R349 IonicContact OE2-CZ 3.83Å; E304-R349 IonicContact OE2-NE 3.5Å; E304-R349 IonicContact OE2-NH2 3.51Å; E304-R349 PolarHBondContact OE2-NH2 2.76Å |
| 305 | K | 88.1 | Confident | 80.1 | Confident | 132 Ų | 132 | 46.9 Ų | 46.9 | 57% | 0.574 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.5 | -42.8 | 179.1 | -66.7 | 178 | -178.5 | 177.8 | 0 | 111.1 | D302 N308 L309 | D302-K305 CarbonylContact O-C 3.58Å; D302-K305 WeakPolarHBondContact O-CA 3.42Å; D302-K305 WeakPolarHBondContact O-CB 3.34Å; D302-K305 PolarHBondContact O-N 3.43Å; K305-N308 PolarHBondContact O-N 3.44Å; K305-L309 VanDerWaalsContact O-CB 3.28Å; K305-L309 WeakPolarHBondContact O-CB 3.39Å; K305-L309 PolarHBondContact O-N 3.27Å |
| 306 | K | 90.3 | Very high | 80.4 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.035 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 176.6 | -70.4 | -163.8 | 171.4 | -45.9 | 0 | 111.6 | D263 Q284 I287 V288 Y291 D302 A303 E304 L309 A310 | D263-K306 IonicContact OD1-NZ 2.91Å; D263-K306 IonicContact OD2-NZ 2.98Å; D263-K306 PolarHBondContact OD2-NZ 3.39Å; Q284-K306 HydrophobicContact CB-CB 4.15Å; I287-K306 HydrophobicContact CB-CD 4.3Å; I287-K306 HydrophobicContact CG2-CD 3.83Å; V288-K306 HydrophobicContact CG2-CB 3.78Å; V288-K306 HydrophobicContact CG2-CD 4.25Å; Y291-K306 HydrophobicContact CE2-CD 4.5Å; D302-K306 WeakPolarHBondContact O-CB 3.38Å; D302-K306 WeakPolarHBondContact O-CG 3.31Å; D302-K306 PolarHBondContact O-N 3.12Å; D302-K306 WeakPolarHBondContact OD2-CE 3.19Å; D302-K306 IonicContact OD2-NZ 2.67Å; D302-K306 PolarHBondContact OD2-NZ 2.91Å; A303-K306 PolarHBondContact O-N 3.39Å; E304-K306 VanDerWaalsContact C-N 3.33Å; E304-K306 PolarHBondContact O-N 3.27Å; K306-L309 PolarHBondContact O-N 3.25Å; K306-A310 WeakPolarHBondContact O-CB 3.38Å; K306-A310 PolarHBondContact O-N 3.01Å |
| 307 | L | 92 | Very high | 80.8 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.8 | -41.7 | 176.2 | -69.7 | 171.6 | 0 | 0 | 0 | 112.3 | L285 V288 A303 E304 A310 Q311 L342 L345 Q346 R349 | L285-L307 HydrophobicContact CD2-CD2 3.91Å; V288-L307 HydrophobicContact CB-CD2 4.35Å; V288-L307 HydrophobicContact CG1-CD1 4.22Å; V288-L307 HydrophobicContact CG1-CD2 4.08Å; V288-L307 HydrophobicContact CG1-CG 4.15Å; V288-L307 HydrophobicContact CG2-CD2 4.39Å; V288-L307 HydrophobicContact CG2-CG 4.26Å; A303-L307 WeakPolarHBondContact O-CB 3.32Å; A303-L307 VanDerWaalsContact O-CG 3.22Å; A303-L307 WeakPolarHBondContact O-CG 3.42Å; A303-L307 PolarHBondContact O-N 2.95Å; E304-L307 PolarHBondContact O-N 3.41Å; L307-A310 PolarHBondContact O-N 3.11Å; L307-Q311 WeakPolarHBondContact O-CB 3.43Å; L307-Q311 PolarHBondContact O-N 2.77Å; L307-L342 HydrophobicContact CB-CD1 4.4Å; L307-L342 HydrophobicContact CD2-CD1 3.96Å; L307-L345 HydrophobicContact CD1-CB 4.27Å; L307-L345 HydrophobicContact CD2-CB 3.75Å; L307-L345 HydrophobicContact CD2-CD1 4.24Å; L307-Q346 HydrophobicContact CB-CG 4.2Å; L307-Q346 HydrophobicContact CD1-CG 4.06Å; L307-R349 HydrophobicContact CD1-CB 4.33Å |
| 308 | N | 90.9 | Very high | 81.5 | Confident | 79 Ų | 79 | 45.2 Ų | 45.2 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.1 | -39.1 | 176.6 | -71.9 | -17.9 | 0 | 0 | 0 | 111.7 | E304 K305 Q311 K312 | E304-N308 WeakPolarHBondContact O-CB 3.44Å; E304-N308 PolarHBondContact O-N 3.07Å; E304-N308 PolarHBondContact O-ND2 2.86Å; K305-N308 PolarHBondContact O-N 3.44Å; N308-Q311 PolarHBondContact O-N 3.16Å; N308-K312 WeakPolarHBondContact O-CB 3.46Å; N308-K312 PolarHBondContact O-N 2.97Å |
| 309 | L | 90.3 | Very high | 82.6 | Confident | 59 Ų | 59 | 42.7 Ų | 42.7 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.2 | -49.2 | 174.1 | -170.9 | 146.9 | 0 | 0 | 0 | 110.7 | Y280 Q284 K305 K306 Q311 K312 C313 | Y280-L309 HydrophobicContact CD1-CD2 3.64Å; Y280-L309 HydrophobicContact CE1-CD1 3.92Å; Y280-L309 HydrophobicContact CE1-CD2 3.37Å; Y280-L309 HydrophobicContact CE1-CG 4.29Å; Q284-L309 HydrophobicContact CG-CD2 3.76Å; K305-L309 VanDerWaalsContact O-CB 3.28Å; K305-L309 WeakPolarHBondContact O-CB 3.39Å; K305-L309 PolarHBondContact O-N 3.27Å; K306-L309 PolarHBondContact O-N 3.25Å; L309-Q311 VanDerWaalsContact C-N 3.32Å; L309-Q311 PolarHBondContact O-N 2.73Å; L309-K312 PolarHBondContact O-N 2.98Å; L309-C313 WeakPolarHBondContact O-CB 3.46Å; L309-C313 PolarHBondContact O-N 3.49Å; L309-C313 PolarHBondContact O-SG 2.93Å; L309-C313 VanDerWaalsContact O-SG 3.41Å |
| 310 | A | 92.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.7 | -47 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A281 Q284 L285 K306 L307 K312 C313 F314 L342 | A281-A310 HydrophobicContact CB-CB 4.32Å; Q284-A310 HydrophobicContact CB-CB 4.18Å; L285-A310 HydrophobicContact CD2-CB 4.07Å; L285-A310 HydrophobicContact CG-CB 4.18Å; K306-A310 WeakPolarHBondContact O-CB 3.38Å; K306-A310 PolarHBondContact O-N 3.01Å; L307-A310 PolarHBondContact O-N 3.11Å; A310-K312 VanDerWaalsContact C-N 3.35Å; A310-K312 PolarHBondContact O-N 2.92Å; A310-C313 PolarHBondContact O-N 3.37Å; A310-F314 HydrophobicContact CB-CD2 4.49Å; A310-F314 HydrophobicContact CB-CE2 4.01Å; A310-F314 WeakPolarHBondContact O-CD2 3.41Å; A310-F314 VanDerWaalsContact O-CG 3.26Å; A310-F314 WeakPolarHBondContact O-CG 3.35Å; A310-F314 PolarHBondContact O-N 2.72Å; A310-L342 HydrophobicContact CB-CD1 4.38Å |
| 311 | Q | 91.7 | Very high | 84.4 | Confident | 34 Ų | 34 | 54.1 Ų | 54.1 | 16% | 0.159 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 177.4 | -172.3 | 173.9 | 20.8 | 0 | 0 | 112.5 | L307 N308 L309 K315 L342 | L307-Q311 WeakPolarHBondContact O-CB 3.43Å; L307-Q311 PolarHBondContact O-N 2.77Å; N308-Q311 PolarHBondContact O-N 3.16Å; L309-Q311 VanDerWaalsContact C-N 3.32Å; L309-Q311 PolarHBondContact O-N 2.73Å; Q311-K315 WeakPolarHBondContact O-CG 3.34Å; Q311-K315 PolarHBondContact O-N 3.49Å; Q311-L342 HydrophobicContact CB-CD1 4.38Å; Q311-L342 HydrophobicContact CB-CD2 3.87Å; Q311-L342 HydrophobicContact CG-CD2 4.01Å |
| 312 | K | 90.3 | Very high | 85.3 | Confident | 122 Ų | 122 | 49.9 Ų | 49.9 | 53% | 0.53 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.8 | -48.1 | 176.9 | -175.9 | -173.8 | 174 | -163 | 0 | 111 | N308 L309 A310 F314 K315 N316 | N308-K312 WeakPolarHBondContact O-CB 3.46Å; N308-K312 PolarHBondContact O-N 2.97Å; L309-K312 PolarHBondContact O-N 2.98Å; A310-K312 VanDerWaalsContact C-N 3.35Å; A310-K312 PolarHBondContact O-N 2.92Å; K312-F314 PolarHBondContact O-N 3.2Å; K312-K315 PolarHBondContact O-N 3.34Å; K312-N316 VanDerWaalsContact O-CG 3.31Å; K312-N316 PolarHBondContact O-N 3.04Å; K312-N316 PolarHBondContact O-OD1 3.32Å |
| 313 | C | 89.3 | Confident | 85.4 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 3% | 0.027 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 179.1 | -71.5 | 0 | 0 | 0 | 0 | 111.6 | A281 L309 A310 K315 N316 C317 | A281-C313 HydrophobicContact CB-CB 3.53Å; L309-C313 WeakPolarHBondContact O-CB 3.46Å; L309-C313 PolarHBondContact O-N 3.49Å; L309-C313 PolarHBondContact O-SG 2.93Å; L309-C313 VanDerWaalsContact O-SG 3.41Å; A310-C313 PolarHBondContact O-N 3.37Å; C313-K315 PolarHBondContact O-N 2.68Å; C313-N316 PolarHBondContact O-N 3.25Å; C313-C317 WeakPolarHBondContact O-CB 3.32Å; C313-C317 PolarHBondContact O-N 2.9Å; C313-C317 PolarHBondContact O-SG 2.78Å |
| 314 | F | 88.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 175.7 | -65.4 | -39 | 0 | 0 | 0 | 112.7 | D278 A281 V282 L285 A310 K312 N316 C317 Y318 L338 F339 L342 | D278-F314 HydrophobicContact CB-CD1 4.38Å; D278-F314 HydrophobicContact CB-CE1 4.35Å; A281-F314 HydrophobicContact CB-CD1 3.76Å; A281-F314 HydrophobicContact CB-CE1 3.39Å; A281-F314 HydrophobicContact CB-CE2 4.29Å; A281-F314 HydrophobicContact CB-CG 4.37Å; A281-F314 HydrophobicContact CB-CZ 3.68Å; V282-F314 HydrophobicContact CG2-CE1 4Å; V282-F314 HydrophobicContact CG2-CZ 4.22Å; L285-F314 HydrophobicContact CD1-CE2 3.55Å; L285-F314 HydrophobicContact CD1-CZ 3.6Å; L285-F314 HydrophobicContact CD2-CE2 4.49Å; L285-F314 HydrophobicContact CG-CE2 3.98Å; L285-F314 HydrophobicContact CG-CZ 4.11Å; A310-F314 HydrophobicContact CB-CD2 4.49Å; A310-F314 HydrophobicContact CB-CE2 4.01Å; A310-F314 WeakPolarHBondContact O-CD2 3.41Å; A310-F314 VanDerWaalsContact O-CG 3.26Å; A310-F314 WeakPolarHBondContact O-CG 3.35Å; A310-F314 PolarHBondContact O-N 2.72Å; K312-F314 PolarHBondContact O-N 3.2Å; F314-N316 VanDerWaalsContact C-N 3.32Å; F314-N316 PolarHBondContact O-N 2.83Å; F314-C317 PolarHBondContact O-N 2.85Å; F314-Y318 HydrophobicContact CB-CD2 3.87Å; F314-Y318 HydrophobicContact CB-CE2 3.96Å; F314-Y318 HydrophobicContact CD1-CD2 4.16Å; F314-Y318 AromaticContact CD1-CE2 3.38Å; F314-Y318 HydrophobicContact CD1-CE2 3.38Å; F314-Y318 HydrophobicContact CE1-CE2 4.15Å; F314-Y318 HydrophobicContact CG-CD2 4.34Å; F314-Y318 AromaticContact CG-CE2 3.92Å; F314-Y318 HydrophobicContact CG-CE2 3.92Å; F314-Y318 WeakPolarHBondContact O-CB 3.25Å; F314-Y318 WeakPolarHBondContact O-CD2 3.47Å; F314-Y318 PolarHBondContact O-N 3.15Å; F314-L338 HydrophobicContact CE1-CD1 3.95Å; F314-L338 HydrophobicContact CZ-CB 4.19Å; F314-L338 HydrophobicContact CZ-CD1 4.29Å; F314-F339 HydrophobicContact CB-CE1 4.05Å; F314-F339 HydrophobicContact CB-CE2 4.43Å; F314-F339 HydrophobicContact CB-CZ 3.74Å; F314-F339 HydrophobicContact CG-CZ 4.48Å; F314-L342 HydrophobicContact CD2-CD2 4.15Å |
| 315 | K | 87.4 | Confident | 84.5 | Confident | 101 Ų | 101 | 56.8 Ų | 56.8 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 173.8 | -76.4 | -179.9 | 177.9 | -171.7 | 0 | 112 | Q311 K312 C313 G319 | Q311-K315 WeakPolarHBondContact O-CG 3.34Å; Q311-K315 PolarHBondContact O-N 3.49Å; K312-K315 PolarHBondContact O-N 3.34Å; C313-K315 PolarHBondContact O-N 2.68Å; K315-G319 CarbonylContact O-C 3.59Å; K315-G319 WeakPolarHBondContact O-CA 3.38Å; K315-G319 PolarHBondContact O-N 3.42Å |
| 316 | N | 84.9 | Confident | 83.9 | Confident | 70 Ų | 70 | 53.5 Ų | 53.5 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 177 | -69.4 | -4.8 | 0 | 0 | 0 | 112 | K312 C313 F314 R324 | K312-N316 VanDerWaalsContact O-CG 3.31Å; K312-N316 PolarHBondContact O-N 3.04Å; K312-N316 PolarHBondContact O-OD1 3.32Å; C313-N316 PolarHBondContact O-N 3.25Å; F314-N316 VanDerWaalsContact C-N 3.32Å; F314-N316 PolarHBondContact O-N 2.83Å; N316-R324 PolarHBondContact O-NH1 3Å |
| 317 | C | 81.1 | Confident | 82.8 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.7 | -44.4 | -176.1 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | D278 C313 F314 R324 | D278-C317 HydrophobicContact CB-CB 4.31Å; C313-C317 WeakPolarHBondContact O-CB 3.32Å; C313-C317 PolarHBondContact O-N 2.9Å; C313-C317 PolarHBondContact O-SG 2.78Å; F314-C317 PolarHBondContact O-N 2.85Å; C317-R324 VanDerWaalsContact O-CD 3.3Å; C317-R324 WeakPolarHBondContact O-CD 3.25Å; C317-R324 PolarHBondContact O-NH1 2.95Å |
| 318 | Y | 82.6 | Confident | 81.6 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -101.5 | -16.3 | -172.7 | -49.8 | -41.9 | 0 | 0 | 0 | 113.6 | D278 F314 H322 Q323 R324 L325 E335 L338 F339 | D278-Y318 HydrophobicContact CB-CE1 4.2Å; D278-Y318 VanDerWaalsContact CB-OH 3.27Å; D278-Y318 WeakPolarHBondContact CB-OH 3.42Å; D278-Y318 VanDerWaalsContact CG-OH 3.29Å; D278-Y318 WeakPolarHBondContact OD2-CE1 3.31Å; D278-Y318 VanDerWaalsContact OD2-CZ 3.31Å; D278-Y318 PolarHBondContact OD2-OH 2.85Å; F314-Y318 HydrophobicContact CB-CD2 3.87Å; F314-Y318 HydrophobicContact CB-CE2 3.96Å; F314-Y318 HydrophobicContact CD1-CD2 4.16Å; F314-Y318 AromaticContact CD1-CE2 3.38Å; F314-Y318 HydrophobicContact CD1-CE2 3.38Å; F314-Y318 HydrophobicContact CE1-CE2 4.15Å; F314-Y318 HydrophobicContact CG-CD2 4.34Å; F314-Y318 AromaticContact CG-CE2 3.92Å; F314-Y318 HydrophobicContact CG-CE2 3.92Å; F314-Y318 WeakPolarHBondContact O-CB 3.25Å; F314-Y318 WeakPolarHBondContact O-CD2 3.47Å; F314-Y318 PolarHBondContact O-N 3.15Å; Y318-H322 CarbonylContact O-C 3.59Å; Y318-H322 WeakPolarHBondContact O-CA 3.29Å; Y318-Q323 PolarHBondContact O-N 3.46Å; Y318-R324 WeakPolarHBondContact O-CB 3.45Å; Y318-R324 PolarHBondContact O-N 3.07Å; Y318-L325 HydrophobicContact CD1-CB 4.17Å; Y318-L325 HydrophobicContact CD1-CD1 4.02Å; Y318-L325 HydrophobicContact CD1-CD2 4.09Å; Y318-L325 HydrophobicContact CD1-CG 4.34Å; Y318-L325 HydrophobicContact CE1-CD1 4.33Å; Y318-L325 HydrophobicContact CG-CB 4.46Å; Y318-L325 HydrophobicContact CG-CD2 4.3Å; Y318-L325 PolarHBondContact O-N 2.88Å; Y318-E335 HydrophobicContact CE1-CG 4.44Å; Y318-L338 HydrophobicContact CE2-CD1 4.32Å; Y318-L338 VanDerWaalsContact OH-CD1 3.27Å; Y318-L338 WeakPolarHBondContact OH-CD1 3.2Å; Y318-F339 AromaticContact CD2-CE2 3.47Å; Y318-F339 HydrophobicContact CD2-CE2 3.47Å; Y318-F339 VanDerWaalsContact CD2-CE2 3.47Å; Y318-F339 AromaticContact CD2-CZ 3.67Å; Y318-F339 HydrophobicContact CD2-CZ 3.67Å; Y318-F339 AromaticContact CE2-CE2 3.88Å; Y318-F339 HydrophobicContact CE2-CE2 3.88Å; Y318-F339 HydrophobicContact CE2-CZ 4.34Å |
| 319 | G | 80.2 | Confident | 80.4 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 19% | 0.186 | 30% | 0.301 | C | S | . | . | trans | 86 | 159.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K315 N321 H322 | K315-G319 CarbonylContact O-C 3.59Å; K315-G319 WeakPolarHBondContact O-CA 3.38Å; K315-G319 PolarHBondContact O-N 3.42Å; G319-N321 PolarHBondContact O-N 3.11Å; G319-N321 VanDerWaalsContact O-N 3.11Å; G319-H322 PolarHBondContact O-N 2.87Å | ||
| 320 | E | 77.2 | Confident | 79.3 | Confident | 163 Ų | 163 | 62.6 Ų | 62.6 | 76% | 0.762 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -33.8 | -173.4 | -65.9 | -169.1 | 155.3 | 0 | 0 | 113.9 | ||
| 321 | N | 73.2 | Confident | 78.3 | Confident | 112 Ų | 112 | 63.8 Ų | 63.8 | 60% | 0.599 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121 | 31.7 | 177.2 | -63 | -49.3 | 0 | 0 | 0 | 112.1 | G319 Q323 | G319-N321 PolarHBondContact O-N 3.11Å; G319-N321 VanDerWaalsContact O-N 3.11Å; N321-Q323 HydrophobicContact CB-CG 4.12Å; N321-Q323 PolarHBondContact O-N 2.76Å; N321-Q323 VanDerWaalsContact O-N 3.1Å |
| 322 | H | 77.6 | Confident | 77.4 | Confident | 37 Ų | 37 | 63.4 Ų | 63.4 | 17% | 0.171 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 62.3 | 14.2 | -176.6 | -43.2 | 91.5 | 0 | 0 | 0 | 114.5 | Y318 G319 R324 L325 V326 C332 F339 | Y318-H322 CarbonylContact O-C 3.59Å; Y318-H322 WeakPolarHBondContact O-CA 3.29Å; G319-H322 PolarHBondContact O-N 2.87Å; H322-R324 VanDerWaalsContact C-N 3.33Å; H322-R324 PolarHBondContact O-N 3.43Å; H322-L325 WeakPolarHBondContact O-CB 3.37Å; H322-L325 PolarHBondContact O-N 2.78Å; H322-V326 WeakPolarHBondContact O-CG2 3.19Å; H322-V326 PolarHBondContact O-N 3.4Å; H322-C332 HydrophobicContact CB-CB 4.04Å; H322-F339 AromaticContact CD2-CE2 3.44Å; H322-F339 VanDerWaalsContact CD2-CE2 3.44Å; H322-F339 WeakPolarHBondContact CD2-CE2 3.38Å; H322-F339 AromaticContact CD2-CZ 3.75Å; H322-F339 AromaticContact NE2-CD2 3.44Å; H322-F339 WeakPolarHBondContact NE2-CD2 3.46Å; H322-F339 AromaticContact NE2-CE1 3.87Å; H322-F339 AromaticContact NE2-CE2 3.1Å; H322-F339 WeakPolarHBondContact NE2-CE2 3.39Å; H322-F339 AromaticContact NE2-CG 3.93Å; H322-F339 AromaticContact NE2-CZ 3.31Å; H322-F339 VanDerWaalsContact NE2-CZ 3.31Å; H322-F339 WeakPolarHBondContact NE2-CZ 3.31Å |
| 323 | Q | 76.9 | Confident | 76.7 | Confident | 131 Ų | 131 | 58 Ų | 58 | 61% | 0.612 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.7 | -39.1 | -174.5 | -68.4 | 163.8 | -7.4 | 0 | 0 | 112.5 | Y318 N321 H327 | Y318-Q323 PolarHBondContact O-N 3.46Å; N321-Q323 HydrophobicContact CB-CG 4.12Å; N321-Q323 PolarHBondContact O-N 2.76Å; N321-Q323 VanDerWaalsContact O-N 3.1Å; Q323-H327 WeakPolarHBondContact O-CB 3.46Å; Q323-H327 PolarHBondContact O-N 2.83Å |
| 324 | R | 75.9 | Confident | 76.4 | Confident | 106 Ų | 106 | 58.2 Ų | 58.2 | 40% | 0.4 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68 | -39.5 | 178.2 | 179.9 | 175.2 | 173.9 | -145.6 | -5.1 | 110.8 | N316 C317 Y318 H322 H327 I328 | N316-R324 PolarHBondContact O-NH1 3Å; C317-R324 VanDerWaalsContact O-CD 3.3Å; C317-R324 WeakPolarHBondContact O-CD 3.25Å; C317-R324 PolarHBondContact O-NH1 2.95Å; Y318-R324 WeakPolarHBondContact O-CB 3.45Å; Y318-R324 PolarHBondContact O-N 3.07Å; H322-R324 VanDerWaalsContact C-N 3.33Å; H322-R324 PolarHBondContact O-N 3.43Å; R324-H327 PolarHBondContact O-N 3.11Å; R324-I328 HydrophobicContact CG-CD1 3.71Å; R324-I328 WeakPolarHBondContact O-CD1 3.31Å; R324-I328 VanDerWaalsContact O-CG1 3.24Å; R324-I328 WeakPolarHBondContact O-CG1 3.06Å; R324-I328 PolarHBondContact O-N 3.47Å; R324-I328 VanDerWaalsContact O-N 3.1Å |
| 325 | L | 73.8 | Confident | 76.3 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -47 | 176.7 | -177.9 | 64.7 | 0 | 0 | 0 | 111.5 | Y318 H322 H327 I328 K329 C332 E335 | Y318-L325 HydrophobicContact CD1-CB 4.17Å; Y318-L325 HydrophobicContact CD1-CD1 4.02Å; Y318-L325 HydrophobicContact CD1-CD2 4.09Å; Y318-L325 HydrophobicContact CD1-CG 4.34Å; Y318-L325 HydrophobicContact CE1-CD1 4.33Å; Y318-L325 HydrophobicContact CG-CB 4.46Å; Y318-L325 HydrophobicContact CG-CD2 4.3Å; Y318-L325 PolarHBondContact O-N 2.88Å; H322-L325 WeakPolarHBondContact O-CB 3.37Å; H322-L325 PolarHBondContact O-N 2.78Å; L325-H327 VanDerWaalsContact C-N 3.29Å; L325-H327 PolarHBondContact O-N 3.46Å; L325-I328 PolarHBondContact O-N 3.24Å; L325-I328 VanDerWaalsContact O-N 3.15Å; L325-K329 HydrophobicContact CD1-CD 4.07Å; L325-K329 HydrophobicContact CD1-CG 4.34Å; L325-K329 PolarHBondContact O-N 3.44Å; L325-C332 HydrophobicContact CD2-CB 3.58Å; L325-C332 HydrophobicContact CG-CB 4.06Å; L325-E335 HydrophobicContact CD1-CG 4.09Å; L325-E335 HydrophobicContact CD2-CB 3.51Å; L325-E335 HydrophobicContact CD2-CG 3.57Å; L325-E335 HydrophobicContact CG-CG 4.45Å |
| 326 | V | 74.9 | Confident | 76.4 | Confident | 63 Ų | 63 | 55.4 Ų | 55.4 | 38% | 0.382 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.6 | -40.1 | 174.7 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | H322 I328 G330 C332 | H322-V326 WeakPolarHBondContact O-CG2 3.19Å; H322-V326 PolarHBondContact O-N 3.4Å; V326-I328 VanDerWaalsContact C-N 3.3Å; V326-I328 PolarHBondContact O-N 2.93Å; V326-G330 WeakPolarHBondContact O-CA 3.37Å; V326-G330 PolarHBondContact O-N 2.79Å; V326-C332 HydrophobicContact CG2-CB 3.8Å |
| 327 | H | 67.4 | Low | 76.7 | Confident | 169 Ų | 169 | 52.4 Ų | 52.4 | 78% | 0.782 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.5 | -33.7 | 177.8 | -174.9 | 62.6 | 0 | 0 | 0 | 113.3 | Q323 R324 L325 | Q323-H327 WeakPolarHBondContact O-CB 3.46Å; Q323-H327 PolarHBondContact O-N 2.83Å; R324-H327 PolarHBondContact O-N 3.11Å; L325-H327 VanDerWaalsContact C-N 3.29Å; L325-H327 PolarHBondContact O-N 3.46Å |
| 328 | I | 66.2 | Low | 77.2 | Confident | 56 Ų | 56 | 52.5 Ų | 52.5 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -86 | -47.5 | -176 | -69.1 | 164.7 | 0 | 0 | 0 | 111.9 | Q218 R324 L325 V326 | Q218-I328 HydrophobicContact CG-CG2 3.94Å; Q218-I328 VanDerWaalsContact NE2-CG2 3.32Å; R324-I328 HydrophobicContact CG-CD1 3.71Å; R324-I328 WeakPolarHBondContact O-CD1 3.31Å; R324-I328 VanDerWaalsContact O-CG1 3.24Å; R324-I328 WeakPolarHBondContact O-CG1 3.06Å; R324-I328 PolarHBondContact O-N 3.47Å; R324-I328 VanDerWaalsContact O-N 3.1Å; L325-I328 PolarHBondContact O-N 3.24Å; L325-I328 VanDerWaalsContact O-N 3.15Å; V326-I328 VanDerWaalsContact C-N 3.3Å; V326-I328 PolarHBondContact O-N 2.93Å |
| 329 | K | 66.8 | Low | 77.7 | Confident | 51 Ų | 51 | 53 Ų | 53 | 22% | 0.222 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -102.7 | -11.5 | -173.4 | -71.7 | -165.9 | 177.6 | -173.9 | 0 | 113.9 | L325 N331 E335 E570 | L325-K329 HydrophobicContact CD1-CD 4.07Å; L325-K329 HydrophobicContact CD1-CG 4.34Å; L325-K329 PolarHBondContact O-N 3.44Å; K329-N331 PolarHBondContact O-N 2.93Å; K329-E335 WeakPolarHBondContact CD-OE1 3.36Å; K329-E335 WeakPolarHBondContact CE-OE1 3.49Å; K329-E335 IonicContact NZ-OE1 2.56Å; K329-E335 PolarHBondContact NZ-OE1 3.1Å; K329-E570 IonicContact NZ-OE1 3.33Å; K329-E570 PolarHBondContact NZ-OE1 3.06Å |
| 330 | G | 66.4 | Low | 78.3 | Confident | 62 Ų | 62 | 52.1 Ų | 52.1 | 64% | 0.639 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 77.4 | -12.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V326 | V326-G330 WeakPolarHBondContact O-CA 3.37Å; V326-G330 PolarHBondContact O-N 2.79Å |
| 331 | N | 71.6 | Confident | 79.2 | Confident | 26 Ų | 26 | 46.6 Ų | 46.6 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | trans | -143.3 | 166.6 | 174.5 | 63.3 | 58.8 | 0 | 0 | 0 | 110.5 | K329 A399 H410 | K329-N331 PolarHBondContact O-N 2.93Å; N331-A399 HydrophobicContact CB-CB 4.44Å; N331-H410 PolarHBondContact ND2-NE2 2.96Å | ||
| 332 | C | 72.6 | Confident | 80.2 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 17% | 0.169 | 21% | 0.212 | C | C | . | . | trans | -138.1 | 4.8 | 177.1 | 64 | 0 | 0 | 0 | 0 | 113.5 | H322 L325 V326 K334 E335 K336 | H322-C332 HydrophobicContact CB-CB 4.04Å; L325-C332 HydrophobicContact CD2-CB 3.58Å; L325-C332 HydrophobicContact CG-CB 4.06Å; V326-C332 HydrophobicContact CG2-CB 3.8Å; C332-K334 VanDerWaalsContact C-N 3.28Å; C332-K334 PolarHBondContact O-N 3.45Å; C332-E335 PolarHBondContact O-N 3.37Å; C332-K336 PolarHBondContact O-N 3.45Å | ||
| 333 | G | 75.4 | Confident | 81.1 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 8% | 0.082 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -30.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L373 R398 | G333-L373 WeakPolarHBondContact O-CD2 3.33Å; G333-R398 WeakPolarHBondContact CA-O 3.47Å |
| 334 | K | 83.1 | Confident | 82 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 4% | 0.039 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -44.9 | -178.7 | -59.1 | 171.5 | 177.6 | -179.2 | 0 | 111.8 | C332 K336 V337 L395 R398 A399 E570 L573 | C332-K334 VanDerWaalsContact C-N 3.28Å; C332-K334 PolarHBondContact O-N 3.45Å; K334-K336 VanDerWaalsContact C-N 3.27Å; K334-K336 PolarHBondContact O-N 2.96Å; K334-V337 WeakPolarHBondContact O-CB 3.43Å; K334-V337 WeakPolarHBondContact O-CG2 3.43Å; K334-V337 PolarHBondContact O-N 3.29Å; K334-L395 HydrophobicContact CD-CB 4.25Å; K334-L395 HydrophobicContact CD-CD2 4.37Å; K334-L395 WeakPolarHBondContact CE-O 3.45Å; K334-L395 HydrophobicContact CG-CD2 4.36Å; K334-L395 WeakPolarHBondContact CG-O 3.4Å; K334-R398 HydrophobicContact CG-CB 4.13Å; K334-A399 HydrophobicContact CD-CB 4.4Å; K334-A399 HydrophobicContact CG-CB 4.26Å; K334-E570 IonicContact NZ-OE2 2.85Å; K334-E570 PolarHBondContact NZ-OE2 3.38Å; K334-L573 HydrophobicContact CB-CD1 4.04Å |
| 335 | E | 87.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -21.5 | -175.5 | -66.2 | 78.3 | -179.1 | 0 | 0 | 112.8 | Y318 L325 K329 C332 V337 L338 L573 | Y318-E335 HydrophobicContact CE1-CG 4.44Å; L325-E335 HydrophobicContact CD1-CG 4.09Å; L325-E335 HydrophobicContact CD2-CB 3.51Å; L325-E335 HydrophobicContact CD2-CG 3.57Å; L325-E335 HydrophobicContact CG-CG 4.45Å; K329-E335 WeakPolarHBondContact CD-OE1 3.36Å; K329-E335 WeakPolarHBondContact CE-OE1 3.49Å; K329-E335 IonicContact NZ-OE1 2.56Å; K329-E335 PolarHBondContact NZ-OE1 3.1Å; C332-E335 PolarHBondContact O-N 3.37Å; E335-V337 PolarHBondContact O-N 3.38Å; E335-V337 VanDerWaalsContact O-N 3.08Å; E335-L338 WeakPolarHBondContact O-CB 3.43Å; E335-L338 PolarHBondContact O-N 3.27Å; E335-L573 HydrophobicContact CG-CD1 4.1Å |
| 336 | K | 88.4 | Confident | 83.8 | Confident | 43 Ų | 43 | 30.8 Ų | 30.8 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.8 | -24.4 | 171.6 | -77 | -178.8 | 176.2 | -171 | 0 | 113 | C332 K334 L338 F339 L340 L369 E372 L373 | C332-K336 PolarHBondContact O-N 3.45Å; K334-K336 VanDerWaalsContact C-N 3.27Å; K334-K336 PolarHBondContact O-N 2.96Å; K336-L338 PolarHBondContact O-N 3.24Å; K336-F339 PolarHBondContact O-N 2.85Å; K336-F339 VanDerWaalsContact O-N 3.13Å; K336-L340 PolarHBondContact O-N 2.97Å; K336-L369 HydrophobicContact CD-CD2 4.4Å; K336-E372 IonicContact NZ-OE2 2.87Å; K336-E372 PolarHBondContact NZ-OE2 2.9Å; K336-L373 HydrophobicContact CB-CD1 3.91Å; K336-L373 HydrophobicContact CB-CD2 3.82Å; K336-L373 HydrophobicContact CB-CG 4.32Å; K336-L373 HydrophobicContact CD-CD2 4.33Å |
| 337 | V | 91.4 | Very high | 84.6 | Confident | 7 Ų | 7 | 27.8 Ų | 27.8 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.1 | -37.6 | 173.2 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | K334 E335 F339 L340 R341 L373 L577 | K334-V337 WeakPolarHBondContact O-CB 3.43Å; K334-V337 WeakPolarHBondContact O-CG2 3.43Å; K334-V337 PolarHBondContact O-N 3.29Å; E335-V337 PolarHBondContact O-N 3.38Å; E335-V337 VanDerWaalsContact O-N 3.08Å; V337-F339 PolarHBondContact O-N 2.68Å; V337-L340 WeakPolarHBondContact O-CB 3.42Å; V337-L340 PolarHBondContact O-N 3.18Å; V337-R341 PolarHBondContact O-N 3.43Å; V337-R341 VanDerWaalsContact O-N 3.11Å; V337-L373 HydrophobicContact CG2-CD1 4.03Å; V337-L373 HydrophobicContact CG2-CD2 4.48Å; V337-L577 HydrophobicContact CG1-CD2 4.08Å |
| 338 | L | 92.6 | Very high | 85.8 | Confident | 12 Ų | 12 | 19.8 Ų | 19.8 | 6% | 0.063 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.9 | -39.4 | 177.6 | -57.3 | 176.3 | 0 | 0 | 0 | 111.6 | V282 L285 F314 Y318 E335 K336 R341 L342 Y572 L573 | V282-L338 HydrophobicContact CG2-CD1 3.94Å; V282-L338 HydrophobicContact CG2-CD2 4.13Å; L285-L338 HydrophobicContact CD1-CB 4.44Å; F314-L338 HydrophobicContact CE1-CD1 3.95Å; F314-L338 HydrophobicContact CZ-CB 4.19Å; F314-L338 HydrophobicContact CZ-CD1 4.29Å; Y318-L338 HydrophobicContact CE2-CD1 4.32Å; Y318-L338 VanDerWaalsContact OH-CD1 3.27Å; Y318-L338 WeakPolarHBondContact OH-CD1 3.2Å; E335-L338 WeakPolarHBondContact O-CB 3.43Å; E335-L338 PolarHBondContact O-N 3.27Å; K336-L338 PolarHBondContact O-N 3.24Å; L338-R341 PolarHBondContact O-N 3.39Å; L338-L342 WeakPolarHBondContact O-CB 3.47Å; L338-L342 PolarHBondContact O-N 2.97Å; L338-Y572 HydrophobicContact CD1-CE2 4.19Å; L338-Y572 HydrophobicContact CD2-CD2 4.31Å; L338-Y572 HydrophobicContact CD2-CE2 4.34Å; L338-L573 HydrophobicContact CD1-CD2 3.87Å; L338-L573 HydrophobicContact CD2-CD2 3.97Å; L338-L573 HydrophobicContact CG-CD2 3.75Å |
| 339 | F | 92.3 | Very high | 86.9 | Confident | 12 Ų | 12 | 19.7 Ų | 19.7 | 5% | 0.053 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -69.1 | -37.5 | 176.9 | -73 | -89.3 | 0 | 0 | 0 | 112.4 | F314 Y318 H322 K336 V337 R341 L342 Y343 L369 | F314-F339 HydrophobicContact CB-CE1 4.05Å; F314-F339 HydrophobicContact CB-CE2 4.43Å; F314-F339 HydrophobicContact CB-CZ 3.74Å; F314-F339 HydrophobicContact CG-CZ 4.48Å; Y318-F339 AromaticContact CD2-CE2 3.47Å; Y318-F339 HydrophobicContact CD2-CE2 3.47Å; Y318-F339 VanDerWaalsContact CD2-CE2 3.47Å; Y318-F339 AromaticContact CD2-CZ 3.67Å; Y318-F339 HydrophobicContact CD2-CZ 3.67Å; Y318-F339 AromaticContact CE2-CE2 3.88Å; Y318-F339 HydrophobicContact CE2-CE2 3.88Å; Y318-F339 HydrophobicContact CE2-CZ 4.34Å; H322-F339 AromaticContact CD2-CE2 3.44Å; H322-F339 VanDerWaalsContact CD2-CE2 3.44Å; H322-F339 WeakPolarHBondContact CD2-CE2 3.38Å; H322-F339 AromaticContact CD2-CZ 3.75Å; H322-F339 AromaticContact NE2-CD2 3.44Å; H322-F339 WeakPolarHBondContact NE2-CD2 3.46Å; H322-F339 AromaticContact NE2-CE1 3.87Å; H322-F339 AromaticContact NE2-CE2 3.1Å; H322-F339 WeakPolarHBondContact NE2-CE2 3.39Å; H322-F339 AromaticContact NE2-CG 3.93Å; H322-F339 AromaticContact NE2-CZ 3.31Å; H322-F339 VanDerWaalsContact NE2-CZ 3.31Å; H322-F339 WeakPolarHBondContact NE2-CZ 3.31Å; K336-F339 PolarHBondContact O-N 2.85Å; K336-F339 VanDerWaalsContact O-N 3.13Å; V337-F339 PolarHBondContact O-N 2.68Å; F339-R341 VanDerWaalsContact C-N 3.34Å; F339-L342 HydrophobicContact CD1-CD2 4.43Å; F339-L342 PolarHBondContact O-N 2.99Å; F339-Y343 HydrophobicContact CB-CE2 4.19Å; F339-Y343 WeakPolarHBondContact O-CB 3.39Å; F339-Y343 VanDerWaalsContact O-CD2 3.24Å; F339-Y343 WeakPolarHBondContact O-CD2 3.42Å; F339-Y343 VanDerWaalsContact O-CG 3.25Å; F339-Y343 PolarHBondContact O-N 2.96Å; F339-L369 HydrophobicContact CB-CD1 3.88Å |
| 340 | L | 94.2 | Very high | 88 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.4 | -51.5 | 172.1 | -176.7 | 163.1 | 0 | 0 | 0 | 110 | K336 V337 L342 Y343 L344 L369 F370 L373 L577 E580 I584 | K336-L340 PolarHBondContact O-N 2.97Å; V337-L340 WeakPolarHBondContact O-CB 3.42Å; V337-L340 PolarHBondContact O-N 3.18Å; L340-L342 PolarHBondContact O-N 3.13Å; L340-Y343 PolarHBondContact O-N 3.28Å; L340-L344 WeakPolarHBondContact O-CB 3.47Å; L340-L344 PolarHBondContact O-N 3.04Å; L340-L369 HydrophobicContact CB-CB 4.09Å; L340-L369 HydrophobicContact CB-CD1 4.22Å; L340-L369 HydrophobicContact CD1-CB 4.26Å; L340-L369 HydrophobicContact CG-CB 4.31Å; L340-F370 VanDerWaalsContact CD1-CA 3.49Å; L340-F370 HydrophobicContact CD1-CB 3.85Å; L340-F370 HydrophobicContact CD1-CD2 4.39Å; L340-L373 HydrophobicContact CB-CD1 4.27Å; L340-L373 HydrophobicContact CD1-CD1 3.94Å; L340-L577 HydrophobicContact CD1-CD1 4.2Å; L340-L577 HydrophobicContact CD1-CD2 4.12Å; L340-L577 HydrophobicContact CD2-CD2 4.4Å; L340-E580 HydrophobicContact CD2-CB 3.82Å; L340-E580 HydrophobicContact CD2-CG 3.72Å; L340-I584 HydrophobicContact CD2-CD1 4.35Å |
| 341 | R | 94.9 | Very high | 89.1 | Confident | 48 Ų | 48 | 15 Ų | 15 | 18% | 0.181 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.1 | -38.4 | 179.9 | -170 | 161.4 | -80.1 | -168.4 | -8.4 | 112.4 | W289 V337 L338 F339 L344 L345 E580 | W289-R341 HydrophobicContact CE3-CG 4.17Å; W289-R341 HydrophobicContact CZ3-CG 4.41Å; V337-R341 PolarHBondContact O-N 3.43Å; V337-R341 VanDerWaalsContact O-N 3.11Å; L338-R341 PolarHBondContact O-N 3.39Å; F339-R341 VanDerWaalsContact C-N 3.34Å; R341-L344 PolarHBondContact O-N 3.28Å; R341-L345 HydrophobicContact CG-CD1 4.21Å; R341-L345 WeakPolarHBondContact O-CB 3.13Å; R341-L345 WeakPolarHBondContact O-CG 3.45Å; R341-L345 PolarHBondContact O-N 3.34Å; R341-E580 IonicContact CZ-OE1 3.79Å; R341-E580 IonicContact NE-OE1 3.64Å; R341-E580 PolarHBondContact NE-OE1 2.88Å; R341-E580 IonicContact NH2-OE1 3.69Å; R341-E580 PolarHBondContact NH2-OE1 3.01Å; R341-E580 IonicContact NH2-OE2 2.75Å; R341-E580 PolarHBondContact NH2-OE2 3.45Å |
| 342 | L | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.7 | -53.2 | 172.4 | 174.2 | 68.6 | 0 | 0 | 0 | 111.5 | L285 L307 A310 Q311 F314 L338 F339 L340 L344 L345 Q346 | L285-L342 HydrophobicContact CD1-CB 4.43Å; L285-L342 HydrophobicContact CD2-CB 3.95Å; L285-L342 HydrophobicContact CD2-CD1 3.7Å; L285-L342 HydrophobicContact CD2-CG 4.44Å; L307-L342 HydrophobicContact CB-CD1 4.4Å; L307-L342 HydrophobicContact CD2-CD1 3.96Å; A310-L342 HydrophobicContact CB-CD1 4.38Å; Q311-L342 HydrophobicContact CB-CD1 4.38Å; Q311-L342 HydrophobicContact CB-CD2 3.87Å; Q311-L342 HydrophobicContact CG-CD2 4.01Å; F314-L342 HydrophobicContact CD2-CD2 4.15Å; L338-L342 WeakPolarHBondContact O-CB 3.47Å; L338-L342 PolarHBondContact O-N 2.97Å; F339-L342 HydrophobicContact CD1-CD2 4.43Å; F339-L342 PolarHBondContact O-N 2.99Å; L340-L342 PolarHBondContact O-N 3.13Å; L342-L344 VanDerWaalsContact C-N 3.34Å; L342-L344 PolarHBondContact O-N 3.17Å; L342-L345 PolarHBondContact O-N 3.1Å; L342-Q346 HydrophobicContact CD1-CG 4.21Å; L342-Q346 WeakPolarHBondContact O-CB 3.47Å; L342-Q346 VanDerWaalsContact O-CG 3.32Å; L342-Q346 WeakPolarHBondContact O-CG 3.44Å; L342-Q346 PolarHBondContact O-N 3.13Å |
| 343 | Y | 95.8 | Very high | 90.3 | Very high | 45 Ų | 45 | 16 Ų | 16 | 18% | 0.176 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.4 | -36.6 | -178.2 | -64.2 | -31.3 | 0 | 0 | 0 | 112.2 | F339 L340 Q346 G347 Y362 K365 L369 | F339-Y343 HydrophobicContact CB-CE2 4.19Å; F339-Y343 WeakPolarHBondContact O-CB 3.39Å; F339-Y343 VanDerWaalsContact O-CD2 3.24Å; F339-Y343 WeakPolarHBondContact O-CD2 3.42Å; F339-Y343 VanDerWaalsContact O-CG 3.25Å; F339-Y343 PolarHBondContact O-N 2.96Å; L340-Y343 PolarHBondContact O-N 3.28Å; Y343-Q346 PolarHBondContact O-N 3.12Å; Y343-G347 PolarHBondContact O-N 3.32Å; Y343-Y362 AromaticContact CD1-CD1 3.81Å; Y343-Y362 HydrophobicContact CD1-CD1 3.81Å; Y343-Y362 HydrophobicContact CD1-CE1 4.12Å; Y343-Y362 HydrophobicContact CE1-CD1 4.49Å; Y343-Y362 HydrophobicContact CE1-CE1 4.43Å; Y343-Y362 HydrophobicContact CG-CD1 4.4Å; Y343-K365 HydrophobicContact CD2-CB 3.77Å; Y343-K365 HydrophobicContact CE2-CB 4.25Å; Y343-K365 HydrophobicContact CG-CB 4.18Å; Y343-L369 HydrophobicContact CD2-CD1 3.7Å; Y343-L369 HydrophobicContact CE2-CD1 3.76Å |
| 344 | L | 95.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.7 | -52 | 173.2 | 177.7 | 54.5 | 0 | 0 | 0 | 111 | W289 L340 R341 L342 Q346 G347 I348 L363 A366 E580 I583 I584 | W289-L344 HydrophobicContact CZ3-CD2 4.26Å; L340-L344 WeakPolarHBondContact O-CB 3.47Å; L340-L344 PolarHBondContact O-N 3.04Å; R341-L344 PolarHBondContact O-N 3.28Å; L342-L344 VanDerWaalsContact C-N 3.34Å; L342-L344 PolarHBondContact O-N 3.17Å; L344-Q346 PolarHBondContact O-N 3.2Å; L344-G347 PolarHBondContact O-N 3.22Å; L344-I348 HydrophobicContact CD1-CD1 3.85Å; L344-I348 HydrophobicContact CD1-CG1 4.25Å; L344-I348 HydrophobicContact CG-CD1 3.89Å; L344-I348 VanDerWaalsContact O-CG1 3.28Å; L344-I348 WeakPolarHBondContact O-CG1 3.31Å; L344-I348 PolarHBondContact O-N 2.94Å; L344-L363 HydrophobicContact CD1-CD2 3.92Å; L344-A366 HydrophobicContact CB-CB 4.23Å; L344-E580 HydrophobicContact CD2-CB 3.89Å; L344-E580 HydrophobicContact CD2-CG 3.66Å; L344-I583 HydrophobicContact CD1-CG2 3.98Å; L344-I583 HydrophobicContact CD2-CB 4.35Å; L344-I583 HydrophobicContact CD2-CG2 4.31Å; L344-I583 HydrophobicContact CG-CG2 4.44Å; L344-I584 HydrophobicContact CD1-CG1 3.58Å; L344-I584 HydrophobicContact CD2-CG1 4.21Å; L344-I584 HydrophobicContact CG-CG1 4.38Å |
| 345 | L | 94.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.5 | -38 | 179.9 | -71.1 | 173.9 | 0 | 0 | 0 | 112.6 | L285 V288 W289 F292 L307 R341 L342 I348 R349 | L285-L345 HydrophobicContact CD2-CD1 4.48Å; V288-L345 HydrophobicContact CB-CD1 4.18Å; V288-L345 HydrophobicContact CG1-CB 4.36Å; V288-L345 HydrophobicContact CG1-CD1 4.01Å; V288-L345 HydrophobicContact CG1-CD2 4.23Å; V288-L345 HydrophobicContact CG1-CG 4.44Å; W289-L345 HydrophobicContact CB-CD1 4.45Å; W289-L345 HydrophobicContact CE3-CD1 4.38Å; W289-L345 HydrophobicContact CE3-CD2 3.94Å; W289-L345 HydrophobicContact CE3-CG 4.32Å; F292-L345 HydrophobicContact CB-CD2 4.17Å; F292-L345 HydrophobicContact CG-CD2 4.45Å; L307-L345 HydrophobicContact CD1-CB 4.27Å; L307-L345 HydrophobicContact CD2-CB 3.75Å; L307-L345 HydrophobicContact CD2-CD1 4.24Å; R341-L345 HydrophobicContact CG-CD1 4.21Å; R341-L345 WeakPolarHBondContact O-CB 3.13Å; R341-L345 WeakPolarHBondContact O-CG 3.45Å; R341-L345 PolarHBondContact O-N 3.34Å; L342-L345 PolarHBondContact O-N 3.1Å; L345-I348 HydrophobicContact CD2-CD1 4.46Å; L345-I348 PolarHBondContact O-N 3.46Å; L345-R349 WeakPolarHBondContact O-CB 3.49Å; L345-R349 PolarHBondContact O-N 3.23Å |
| 346 | Q | 93.4 | Very high | 90.9 | Very high | 7 Ų | 7 | 19.2 Ų | 19.2 | 3% | 0.033 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 172.3 | -74.7 | -179 | -33.7 | 0 | 0 | 111.4 | L307 L342 Y343 L344 R349 N350 Y362 | L307-Q346 HydrophobicContact CB-CG 4.2Å; L307-Q346 HydrophobicContact CD1-CG 4.06Å; L342-Q346 HydrophobicContact CD1-CG 4.21Å; L342-Q346 WeakPolarHBondContact O-CB 3.47Å; L342-Q346 VanDerWaalsContact O-CG 3.32Å; L342-Q346 WeakPolarHBondContact O-CG 3.44Å; L342-Q346 PolarHBondContact O-N 3.13Å; Y343-Q346 PolarHBondContact O-N 3.12Å; L344-Q346 PolarHBondContact O-N 3.2Å; Q346-R349 PolarHBondContact O-N 3.37Å; Q346-N350 WeakPolarHBondContact O-CB 3.37Å; Q346-N350 PolarHBondContact O-N 3Å; Q346-N350 PolarHBondContact O-ND2 3.43Å; Q346-Y362 HydrophobicContact CB-CD1 4.24Å; Q346-Y362 HydrophobicContact CB-CD2 4.32Å; Q346-Y362 HydrophobicContact CB-CG 4.1Å; Q346-Y362 VanDerWaalsContact OE1-CE1 3.27Å |
| 347 | G | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.2 | -48.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y343 L344 N350 Y351 | Y343-G347 PolarHBondContact O-N 3.32Å; L344-G347 PolarHBondContact O-N 3.22Å; G347-N350 PolarHBondContact O-N 2.9Å; G347-Y351 WeakPolarHBondContact O-CB 3.44Å; G347-Y351 PolarHBondContact O-N 3.23Å |
| 348 | I | 91.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.9 | -51.2 | 175.6 | -68 | 162.5 | 0 | 0 | 0 | 110.4 | F292 L297 L344 L345 N350 Y351 H352 I583 Y587 | F292-I348 HydrophobicContact CD2-CD1 4.18Å; F292-I348 HydrophobicContact CD2-CG2 3.86Å; F292-I348 HydrophobicContact CE2-CD1 3.86Å; F292-I348 HydrophobicContact CE2-CG2 3.88Å; F292-I348 HydrophobicContact CZ-CD1 4.06Å; L297-I348 HydrophobicContact CD1-CG2 3.92Å; L344-I348 HydrophobicContact CD1-CD1 3.85Å; L344-I348 HydrophobicContact CD1-CG1 4.25Å; L344-I348 HydrophobicContact CG-CD1 3.89Å; L344-I348 VanDerWaalsContact O-CG1 3.28Å; L344-I348 WeakPolarHBondContact O-CG1 3.31Å; L344-I348 PolarHBondContact O-N 2.94Å; L345-I348 HydrophobicContact CD2-CD1 4.46Å; L345-I348 PolarHBondContact O-N 3.46Å; I348-N350 VanDerWaalsContact C-N 3.32Å; I348-N350 PolarHBondContact O-N 2.69Å; I348-Y351 WeakPolarHBondContact O-CB 3.48Å; I348-Y351 PolarHBondContact O-N 3.26Å; I348-Y351 VanDerWaalsContact O-N 3.17Å; I348-H352 PolarHBondContact O-CD2 3.49Å; I348-H352 PolarHBondContact O-N 3.17Å; I348-I583 HydrophobicContact CD1-CG2 3.64Å; I348-I583 HydrophobicContact CG1-CG2 4.44Å; I348-Y587 HydrophobicContact CB-CD1 4.44Å; I348-Y587 HydrophobicContact CB-CE1 4.18Å; I348-Y587 HydrophobicContact CD1-CE2 4.43Å; I348-Y587 HydrophobicContact CG1-CD1 3.95Å; I348-Y587 HydrophobicContact CG1-CD2 4.03Å; I348-Y587 HydrophobicContact CG1-CE1 3.98Å; I348-Y587 HydrophobicContact CG1-CE2 4.07Å; I348-Y587 HydrophobicContact CG1-CG 3.97Å; I348-Y587 HydrophobicContact CG2-CE1 3.8Å |
| 349 | R | 89.8 | Confident | 90.9 | Very high | 55 Ų | 55 | 24.8 Ų | 24.8 | 21% | 0.208 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 179.8 | 176.4 | -94.9 | 171.9 | -148.1 | -1.6 | 112.1 | E304 L307 L345 Q346 Y351 H352 S353 | E304-R349 IonicContact OE1-CZ 2.74Å; E304-R349 IonicContact OE1-NH2 3.47Å; E304-R349 PolarHBondContact OE1-NH2 3.28Å; E304-R349 IonicContact OE2-CZ 3.83Å; E304-R349 IonicContact OE2-NE 3.5Å; E304-R349 IonicContact OE2-NH2 3.51Å; E304-R349 PolarHBondContact OE2-NH2 2.76Å; L307-R349 HydrophobicContact CD1-CB 4.33Å; L345-R349 WeakPolarHBondContact O-CB 3.49Å; L345-R349 PolarHBondContact O-N 3.23Å; Q346-R349 PolarHBondContact O-N 3.37Å; R349-Y351 VanDerWaalsContact C-N 3.34Å; R349-H352 PolarHBondContact O-N 3.49Å; R349-S353 WeakPolarHBondContact O-CB 3.48Å; R349-S353 PolarHBondContact O-N 2.93Å; R349-S353 PolarHBondContact O-OG 3.15Å |
| 350 | N | 89.4 | Confident | 91 | Very high | 14 Ų | 14 | 27.3 Ų | 27.3 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 178.5 | -76.5 | -39.7 | 0 | 0 | 0 | 111.5 | Q346 G347 I348 S353 G354 N355 E358 A359 Y362 | Q346-N350 WeakPolarHBondContact O-CB 3.37Å; Q346-N350 PolarHBondContact O-N 3Å; Q346-N350 PolarHBondContact O-ND2 3.43Å; G347-N350 PolarHBondContact O-N 2.9Å; I348-N350 VanDerWaalsContact C-N 3.32Å; I348-N350 PolarHBondContact O-N 2.69Å; N350-S353 CarbonylContact O-C 3.6Å; N350-S353 PolarHBondContact O-N 3.21Å; N350-G354 PolarHBondContact O-N 2.94Å; N350-G354 VanDerWaalsContact O-N 3.15Å; N350-N355 HydrophobicContact CB-CB 4.22Å; N350-N355 PolarHBondContact O-N 3.3Å; N350-E358 HydrophobicContact CB-CB 4.38Å; N350-A359 HydrophobicContact CB-CB 3.95Å; N350-Y362 WeakPolarHBondContact ND2-CD2 3.34Å |
| 351 | Y | 89.1 | Confident | 91 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.7 | -52.1 | 172 | 178.9 | -96 | 0 | 0 | 0 | 110.8 | A2 Y6 G347 I348 R349 S353 G354 Y587 Y590 V591 | A2-Y351 HydrophobicContact CB-CE1 4.13Å; Y6-Y351 HydrophobicContact CD2-CD2 4Å; Y6-Y351 HydrophobicContact CD2-CE1 4.38Å; Y6-Y351 AromaticContact CD2-CE2 3.77Å; Y6-Y351 HydrophobicContact CD2-CE2 3.77Å; Y6-Y351 HydrophobicContact CD2-CG 4.42Å; Y6-Y351 AromaticContact CD2-CZ 3.97Å; Y6-Y351 VanDerWaalsContact CD2-O 3.26Å; Y6-Y351 WeakPolarHBondContact CD2-O 3.44Å; Y6-Y351 HydrophobicContact CE2-CE2 4.33Å; Y6-Y351 HydrophobicContact CG-CE1 4.38Å; Y6-Y351 HydrophobicContact CG-CE2 4.22Å; Y6-Y351 AromaticContact CG-CZ 3.99Å; G347-Y351 WeakPolarHBondContact O-CB 3.44Å; G347-Y351 PolarHBondContact O-N 3.23Å; I348-Y351 WeakPolarHBondContact O-CB 3.48Å; I348-Y351 PolarHBondContact O-N 3.26Å; I348-Y351 VanDerWaalsContact O-N 3.17Å; R349-Y351 VanDerWaalsContact C-N 3.34Å; Y351-S353 PolarHBondContact O-N 3.15Å; Y351-S353 VanDerWaalsContact O-N 3.15Å; Y351-G354 PolarHBondContact O-N 3.48Å; Y351-Y587 AromaticContact CD1-CD1 3.95Å; Y351-Y587 HydrophobicContact CD1-CD1 3.95Å; Y351-Y587 AromaticContact CD1-CE1 3.74Å; Y351-Y587 HydrophobicContact CD1-CE1 3.74Å; Y351-Y587 HydrophobicContact CE1-CE1 4.35Å; Y351-Y587 HydrophobicContact CG-CD1 4.11Å; Y351-Y587 HydrophobicContact CG-CE1 4.32Å; Y351-Y590 HydrophobicContact CE1-CD2 4.38Å; Y351-V591 HydrophobicContact CD2-CG2 3.62Å; Y351-V591 HydrophobicContact CE2-CG2 4.05Å |
| 352 | H | 85.3 | Confident | 91 | Very high | 30 Ų | 30 | 32 Ų | 32 | 14% | 0.139 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.1 | -20.7 | 178.4 | -71.7 | -81.3 | 0 | 0 | 0 | 113.8 | A9 L297 I348 R349 G354 Y587 | A9-H352 WeakPolarHBondContact CB-O 3.49Å; L297-H352 WeakPolarHBondContact CD1-CD2 3.16Å; L297-H352 WeakPolarHBondContact CD1-NE2 3.3Å; I348-H352 PolarHBondContact O-CD2 3.49Å; I348-H352 PolarHBondContact O-N 3.17Å; R349-H352 PolarHBondContact O-N 3.49Å; H352-G354 VanDerWaalsContact C-N 3.34Å; H352-Y587 AromaticContact NE2-CE1 3.58Å; H352-Y587 AromaticContact NE2-CZ 3.67Å; H352-Y587 PolarHBondContact NE2-OH 2.93Å |
| 353 | S | 85.1 | Confident | 91.1 | Very high | 41 Ų | 41 | 32 Ų | 32 | 29% | 0.287 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -7.5 | 174.6 | -56.8 | 0 | 0 | 0 | 0 | 113.3 | R349 N350 Y351 | R349-S353 WeakPolarHBondContact O-CB 3.48Å; R349-S353 PolarHBondContact O-N 2.93Å; R349-S353 PolarHBondContact O-OG 3.15Å; N350-S353 CarbonylContact O-C 3.6Å; N350-S353 PolarHBondContact O-N 3.21Å; Y351-S353 PolarHBondContact O-N 3.15Å; Y351-S353 VanDerWaalsContact O-N 3.15Å |
| 354 | G | 84.4 | Confident | 91.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 15.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K10 N350 Y351 H352 D356 | K10-G354 VanDerWaalsContact CD-O 3.32Å; K10-G354 WeakPolarHBondContact CD-O 3.24Å; K10-G354 WeakPolarHBondContact CE-O 3.2Å; K10-G354 PolarHBondContact NZ-O 3Å; N350-G354 PolarHBondContact O-N 2.94Å; N350-G354 VanDerWaalsContact O-N 3.15Å; Y351-G354 PolarHBondContact O-N 3.48Å; H352-G354 VanDerWaalsContact C-N 3.34Å; G354-D356 PolarHBondContact O-N 3.32Å |
| 355 | N | 87.2 | Confident | 91 | Very high | 47 Ų | 47 | 34.8 Ų | 34.8 | 25% | 0.251 | 17% | 0.169 | S | C | . | . | trans | -96.2 | 82 | -179.8 | -69.1 | -1 | 0 | 0 | 0 | 111.4 | N350 V357 E358 A359 | N350-N355 HydrophobicContact CB-CB 4.22Å; N350-N355 PolarHBondContact O-N 3.3Å; N355-V357 PolarHBondContact O-N 3.33Å; N355-E358 HydrophobicContact CB-CB 4.4Å; N355-E358 WeakPolarHBondContact CB-OE2 3.35Å; N355-E358 VanDerWaalsContact CG-OE2 3.27Å; N355-E358 PolarHBondContact ND2-OE2 2.95Å; N355-A359 WeakPolarHBondContact O-CB 3.31Å; N355-A359 PolarHBondContact O-N 3.26Å | ||
| 356 | D | 85.8 | Confident | 91.1 | Very high | 38 Ų | 38 | 34.6 Ų | 34.6 | 20% | 0.203 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.6 | -40.5 | -172.2 | -60.6 | -59.3 | 0 | 0 | 0 | 114.7 | Y6 K10 G354 Y360 | Y6-D356 WeakPolarHBondContact CE2-OD1 3.09Å; Y6-D356 PolarHBondContact OH-OD1 3.08Å; Y6-D356 VanDerWaalsContact OH-OD1 3.05Å; Y6-D356 PolarHBondContact OH-OD2 2.75Å; Y6-D356 VanDerWaalsContact OH-OD2 3.08Å; K10-D356 WeakPolarHBondContact CE-OD2 3.42Å; K10-D356 IonicContact NZ-OD2 3.36Å; K10-D356 PolarHBondContact NZ-OD2 2.75Å; G354-D356 PolarHBondContact O-N 3.32Å; D356-Y360 VanDerWaalsContact O-CB 3.3Å; D356-Y360 WeakPolarHBondContact O-CB 3.5Å; D356-Y360 PolarHBondContact O-N 3.02Å |
| 357 | V | 89.8 | Confident | 91.3 | Very high | 95 Ų | 95 | 38.1 Ų | 38.1 | 58% | 0.576 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -65.9 | -53.9 | -175.3 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | N355 A359 Y360 E361 | N355-V357 PolarHBondContact O-N 3.33Å; V357-A359 PolarHBondContact O-N 2.94Å; V357-Y360 WeakPolarHBondContact O-CB 3.47Å; V357-Y360 PolarHBondContact O-N 3.29Å; V357-E361 WeakPolarHBondContact O-CG 3.46Å; V357-E361 PolarHBondContact O-N 3.05Å |
| 358 | E | 91.2 | Very high | 91.3 | Very high | 84 Ų | 84 | 43.8 Ų | 43.8 | 39% | 0.393 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 178.5 | -67.6 | 141.9 | -163.2 | 0 | 0 | 111.3 | N350 N355 Y360 E361 Y362 | N350-E358 HydrophobicContact CB-CB 4.38Å; N355-E358 HydrophobicContact CB-CB 4.4Å; N355-E358 WeakPolarHBondContact CB-OE2 3.35Å; N355-E358 VanDerWaalsContact CG-OE2 3.27Å; N355-E358 PolarHBondContact ND2-OE2 2.95Å; E358-Y360 VanDerWaalsContact C-N 3.34Å; E358-Y360 PolarHBondContact O-N 2.75Å; E358-E361 PolarHBondContact O-N 2.56Å; E358-Y362 HydrophobicContact CB-CD2 4.44Å; E358-Y362 HydrophobicContact CB-CE2 4.45Å; E358-Y362 WeakPolarHBondContact O-CD2 3.28Å; E358-Y362 PolarHBondContact O-N 3.13Å |
| 359 | A | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.6 | -49.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N350 N355 V357 E361 Y362 L363 V591 | N350-A359 HydrophobicContact CB-CB 3.95Å; N355-A359 WeakPolarHBondContact O-CB 3.31Å; N355-A359 PolarHBondContact O-N 3.26Å; V357-A359 PolarHBondContact O-N 2.94Å; A359-E361 PolarHBondContact O-N 3.34Å; A359-Y362 PolarHBondContact O-N 2.92Å; A359-L363 VanDerWaalsContact O-CB 3.31Å; A359-L363 WeakPolarHBondContact O-CB 3.48Å; A359-L363 WeakPolarHBondContact O-CD1 3.41Å; A359-L363 WeakPolarHBondContact O-CG 3.3Å; A359-L363 PolarHBondContact O-N 2.91Å; A359-V591 HydrophobicContact CB-CG2 4.48Å |
| 360 | Y | 94.1 | Very high | 91.6 | Very high | 65 Ų | 65 | 43.2 Ų | 43.2 | 26% | 0.255 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 177.1 | -173.5 | -105.1 | 0 | 0 | 0 | 112.3 | D356 V357 E358 N364 L588 V591 E592 K595 | D356-Y360 VanDerWaalsContact O-CB 3.3Å; D356-Y360 WeakPolarHBondContact O-CB 3.5Å; D356-Y360 PolarHBondContact O-N 3.02Å; V357-Y360 WeakPolarHBondContact O-CB 3.47Å; V357-Y360 PolarHBondContact O-N 3.29Å; E358-Y360 VanDerWaalsContact C-N 3.34Å; E358-Y360 PolarHBondContact O-N 2.75Å; Y360-N364 WeakPolarHBondContact CD1-ND2 3.39Å; Y360-N364 WeakPolarHBondContact CD2-ND2 3.41Å; Y360-N364 WeakPolarHBondContact CE1-ND2 3.34Å; Y360-N364 VanDerWaalsContact CE2-ND2 3.27Å; Y360-N364 WeakPolarHBondContact CE2-ND2 3.28Å; Y360-N364 WeakPolarHBondContact O-CB 3.33Å; Y360-N364 PolarHBondContact O-N 3.03Å; Y360-N364 PolarHBondContact O-ND2 3.15Å; Y360-L588 HydrophobicContact CD2-CD2 4.42Å; Y360-L588 HydrophobicContact CE2-CD2 4.49Å; Y360-V591 HydrophobicContact CD2-CG1 3.78Å; Y360-V591 HydrophobicContact CG-CG1 4.27Å; Y360-E592 HydrophobicContact CE2-CG 3.93Å; Y360-K595 HydrophobicContact CD2-CD 4.49Å |
| 361 | E | 95.1 | Very high | 91.8 | Very high | 96 Ų | 96 | 49.9 Ų | 49.9 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.5 | -48.6 | -179.7 | -74.8 | 177.8 | -173.5 | 0 | 0 | 111.9 | V357 E358 A359 N364 K365 | V357-E361 WeakPolarHBondContact O-CG 3.46Å; V357-E361 PolarHBondContact O-N 3.05Å; E358-E361 PolarHBondContact O-N 2.56Å; A359-E361 PolarHBondContact O-N 3.34Å; E361-N364 PolarHBondContact O-N 3.42Å; E361-K365 WeakPolarHBondContact O-CG 3.36Å; E361-K365 PolarHBondContact O-N 2.89Å |
| 362 | Y | 95.3 | Very high | 91.8 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 19% | 0.192 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.1 | -41 | 180 | -76.2 | -64.4 | 0 | 0 | 0 | 112.5 | Y343 Q346 N350 E358 A359 N364 K365 A366 | Y343-Y362 AromaticContact CD1-CD1 3.81Å; Y343-Y362 HydrophobicContact CD1-CD1 3.81Å; Y343-Y362 HydrophobicContact CD1-CE1 4.12Å; Y343-Y362 HydrophobicContact CE1-CD1 4.49Å; Y343-Y362 HydrophobicContact CE1-CE1 4.43Å; Y343-Y362 HydrophobicContact CG-CD1 4.4Å; Q346-Y362 HydrophobicContact CB-CD1 4.24Å; Q346-Y362 HydrophobicContact CB-CD2 4.32Å; Q346-Y362 HydrophobicContact CB-CG 4.1Å; Q346-Y362 VanDerWaalsContact OE1-CE1 3.27Å; N350-Y362 WeakPolarHBondContact ND2-CD2 3.34Å; E358-Y362 HydrophobicContact CB-CD2 4.44Å; E358-Y362 HydrophobicContact CB-CE2 4.45Å; E358-Y362 WeakPolarHBondContact O-CD2 3.28Å; E358-Y362 PolarHBondContact O-N 3.13Å; A359-Y362 PolarHBondContact O-N 2.92Å; Y362-N364 VanDerWaalsContact C-N 3.28Å; Y362-N364 PolarHBondContact O-N 3.32Å; Y362-K365 HydrophobicContact CD1-CD 4.35Å; Y362-K365 PolarHBondContact O-N 3.25Å; Y362-A366 PolarHBondContact O-N 2.92Å |
| 363 | L | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -35.4 | 174.8 | -69.5 | 169.1 | 0 | 0 | 0 | 111.8 | L344 A359 A366 R367 L588 V591 | L344-L363 HydrophobicContact CD1-CD2 3.92Å; A359-L363 VanDerWaalsContact O-CB 3.31Å; A359-L363 WeakPolarHBondContact O-CB 3.48Å; A359-L363 WeakPolarHBondContact O-CD1 3.41Å; A359-L363 WeakPolarHBondContact O-CG 3.3Å; A359-L363 PolarHBondContact O-N 2.91Å; L363-A366 PolarHBondContact O-N 3.07Å; L363-R367 WeakPolarHBondContact O-CB 3.39Å; L363-R367 PolarHBondContact O-N 3.11Å; L363-L588 HydrophobicContact CB-CD2 3.55Å; L363-L588 HydrophobicContact CB-CG 4Å; L363-L588 HydrophobicContact CD1-CD2 4.28Å; L363-V591 HydrophobicContact CD1-CG2 4.07Å |
| 364 | N | 95.3 | Very high | 92.4 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 11% | 0.107 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.6 | -40.1 | 174.1 | -84.9 | -63 | 0 | 0 | 0 | 113.4 | Y360 E361 Y362 A366 R367 Q368 | Y360-N364 WeakPolarHBondContact CD1-ND2 3.39Å; Y360-N364 WeakPolarHBondContact CD2-ND2 3.41Å; Y360-N364 WeakPolarHBondContact CE1-ND2 3.34Å; Y360-N364 VanDerWaalsContact CE2-ND2 3.27Å; Y360-N364 WeakPolarHBondContact CE2-ND2 3.28Å; Y360-N364 WeakPolarHBondContact O-CB 3.33Å; Y360-N364 PolarHBondContact O-N 3.03Å; Y360-N364 PolarHBondContact O-ND2 3.15Å; E361-N364 PolarHBondContact O-N 3.42Å; Y362-N364 VanDerWaalsContact C-N 3.28Å; Y362-N364 PolarHBondContact O-N 3.32Å; N364-A366 VanDerWaalsContact C-N 3.3Å; N364-A366 PolarHBondContact O-N 3.15Å; N364-R367 PolarHBondContact O-N 2.97Å; N364-R367 VanDerWaalsContact OD1-CZ 3.23Å; N364-R367 PolarHBondContact OD1-NE 3.12Å; N364-R367 PolarHBondContact OD1-NH2 3.33Å; N364-Q368 WeakPolarHBondContact O-CG 3.44Å; N364-Q368 PolarHBondContact O-N 2.91Å |
| 365 | K | 95.1 | Very high | 92.6 | Very high | 84 Ų | 84 | 59.8 Ų | 59.8 | 37% | 0.365 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 172 | -72.5 | 172.6 | -178.1 | 171.1 | 0 | 110.8 | Y343 E361 Y362 Q368 L369 | Y343-K365 HydrophobicContact CD2-CB 3.77Å; Y343-K365 HydrophobicContact CE2-CB 4.25Å; Y343-K365 HydrophobicContact CG-CB 4.18Å; E361-K365 WeakPolarHBondContact O-CG 3.36Å; E361-K365 PolarHBondContact O-N 2.89Å; Y362-K365 HydrophobicContact CD1-CD 4.35Å; Y362-K365 PolarHBondContact O-N 3.25Å; K365-Q368 PolarHBondContact O-N 2.61Å; K365-L369 PolarHBondContact O-N 3.3Å |
| 366 | A | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L344 Y362 L363 N364 Q368 L369 F370 I584 | L344-A366 HydrophobicContact CB-CB 4.23Å; Y362-A366 PolarHBondContact O-N 2.92Å; L363-A366 PolarHBondContact O-N 3.07Å; N364-A366 VanDerWaalsContact C-N 3.3Å; N364-A366 PolarHBondContact O-N 3.15Å; A366-Q368 PolarHBondContact O-N 2.91Å; A366-L369 PolarHBondContact O-N 2.88Å; A366-F370 WeakPolarHBondContact O-CB 3.43Å; A366-F370 PolarHBondContact O-N 3.43Å; A366-I584 HydrophobicContact CB-CD1 4.04Å; A366-I584 HydrophobicContact CB-CG1 4.27Å |
| 367 | R | 96.4 | Very high | 93.1 | Very high | 80 Ų | 80 | 62.5 Ų | 62.5 | 30% | 0.302 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 175.9 | -177.1 | 173.1 | 66 | 176.8 | 3.6 | 113.1 | L363 N364 F370 K371 I584 L588 E592 | L363-R367 WeakPolarHBondContact O-CB 3.39Å; L363-R367 PolarHBondContact O-N 3.11Å; N364-R367 PolarHBondContact O-N 2.97Å; N364-R367 VanDerWaalsContact OD1-CZ 3.23Å; N364-R367 PolarHBondContact OD1-NE 3.12Å; N364-R367 PolarHBondContact OD1-NH2 3.33Å; R367-F370 PolarHBondContact O-N 3.22Å; R367-K371 WeakPolarHBondContact O-CG 3.48Å; R367-K371 PolarHBondContact O-N 3.31Å; R367-I584 HydrophobicContact CB-CG2 3.92Å; R367-I584 HydrophobicContact CG-CG2 4.41Å; R367-L588 HydrophobicContact CB-CD1 4.22Å; R367-L588 HydrophobicContact CG-CD1 4.42Å; R367-E592 IonicContact NH1-OE1 3.57Å |
| 368 | Q | 94.5 | Very high | 93.4 | Very high | 120 Ų | 120 | 60.6 Ų | 60.6 | 56% | 0.561 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.6 | -49.1 | 176.5 | -75 | 172.3 | -10 | 0 | 0 | 110.7 | N364 K365 A366 F370 K371 E372 | N364-Q368 WeakPolarHBondContact O-CG 3.44Å; N364-Q368 PolarHBondContact O-N 2.91Å; K365-Q368 PolarHBondContact O-N 2.61Å; A366-Q368 PolarHBondContact O-N 2.91Å; Q368-F370 VanDerWaalsContact C-N 3.28Å; Q368-F370 PolarHBondContact O-N 3.03Å; Q368-K371 PolarHBondContact O-N 2.87Å; Q368-K371 VanDerWaalsContact O-N 3.16Å; Q368-E372 PolarHBondContact O-N 3.18Å; Q368-E372 VanDerWaalsContact O-N 3.15Å |
| 369 | L | 92.9 | Very high | 93.5 | Very high | 22 Ų | 22 | 60 Ų | 60 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 174.9 | -73.2 | -179.6 | 0 | 0 | 0 | 112.2 | K336 F339 L340 Y343 K365 A366 K371 E372 L373 | K336-L369 HydrophobicContact CD-CD2 4.4Å; F339-L369 HydrophobicContact CB-CD1 3.88Å; L340-L369 HydrophobicContact CB-CB 4.09Å; L340-L369 HydrophobicContact CB-CD1 4.22Å; L340-L369 HydrophobicContact CD1-CB 4.26Å; L340-L369 HydrophobicContact CG-CB 4.31Å; Y343-L369 HydrophobicContact CD2-CD1 3.7Å; Y343-L369 HydrophobicContact CE2-CD1 3.76Å; K365-L369 PolarHBondContact O-N 3.3Å; A366-L369 PolarHBondContact O-N 2.88Å; L369-K371 VanDerWaalsContact C-N 3.33Å; L369-K371 PolarHBondContact O-N 3.34Å; L369-E372 PolarHBondContact O-N 2.89Å; L369-L373 HydrophobicContact CB-CD1 4.39Å; L369-L373 WeakPolarHBondContact O-CB 3.34Å; L369-L373 VanDerWaalsContact O-CG 3.22Å; L369-L373 WeakPolarHBondContact O-CG 3.1Å; L369-L373 PolarHBondContact O-N 3Å |
| 370 | F | 94.1 | Very high | 93.6 | Very high | 22 Ų | 22 | 60.8 Ų | 60.8 | 10% | 0.096 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -46 | 175.7 | 175.9 | -98 | 0 | 0 | 0 | 111.4 | L340 A366 R367 Q368 E372 L373 Y374 L577 E581 I584 | L340-F370 VanDerWaalsContact CD1-CA 3.49Å; L340-F370 HydrophobicContact CD1-CB 3.85Å; L340-F370 HydrophobicContact CD1-CD2 4.39Å; A366-F370 WeakPolarHBondContact O-CB 3.43Å; A366-F370 PolarHBondContact O-N 3.43Å; R367-F370 PolarHBondContact O-N 3.22Å; Q368-F370 VanDerWaalsContact C-N 3.28Å; Q368-F370 PolarHBondContact O-N 3.03Å; F370-E372 VanDerWaalsContact C-N 3.29Å; F370-E372 PolarHBondContact O-N 3.04Å; F370-L373 PolarHBondContact O-N 3.1Å; F370-Y374 HydrophobicContact CE1-CD2 4.4Å; F370-Y374 AromaticContact CZ-CD2 3.9Å; F370-Y374 HydrophobicContact CZ-CD2 3.9Å; F370-Y374 WeakPolarHBondContact O-CB 3.44Å; F370-Y374 PolarHBondContact O-N 2.86Å; F370-L577 HydrophobicContact CD2-CB 4.04Å; F370-L577 HydrophobicContact CD2-CD1 4.32Å; F370-L577 HydrophobicContact CE2-CB 3.81Å; F370-E581 HydrophobicContact CD2-CB 4.47Å; F370-E581 HydrophobicContact CE1-CB 4.33Å; F370-E581 HydrophobicContact CE1-CG 3.92Å; F370-E581 HydrophobicContact CE2-CB 3.66Å; F370-E581 HydrophobicContact CE2-CG 4.16Å; F370-E581 HydrophobicContact CZ-CB 3.58Å; F370-E581 VanDerWaalsContact CZ-CD 3.45Å; F370-E581 HydrophobicContact CZ-CG 3.55Å; F370-I584 HydrophobicContact CB-CD1 4.22Å |
| 371 | K | 92.3 | Very high | 93.6 | Very high | 154 Ų | 154 | 61.8 Ų | 61.8 | 67% | 0.67 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.8 | -35.1 | 177.2 | -69.6 | 177.3 | 179.6 | -171.6 | 0 | 113 | R367 Q368 L369 | R367-K371 WeakPolarHBondContact O-CG 3.48Å; R367-K371 PolarHBondContact O-N 3.31Å; Q368-K371 PolarHBondContact O-N 2.87Å; Q368-K371 VanDerWaalsContact O-N 3.16Å; L369-K371 VanDerWaalsContact C-N 3.33Å; L369-K371 PolarHBondContact O-N 3.34Å |
| 372 | E | 90.1 | Very high | 93.6 | Very high | 118 Ų | 118 | 60.8 Ų | 60.8 | 55% | 0.551 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -70.9 | -38.2 | 175.5 | -69.1 | 178.2 | -157.5 | 0 | 0 | 112.4 | K336 Q368 L369 F370 | K336-E372 IonicContact NZ-OE2 2.87Å; K336-E372 PolarHBondContact NZ-OE2 2.9Å; Q368-E372 PolarHBondContact O-N 3.18Å; Q368-E372 VanDerWaalsContact O-N 3.15Å; L369-E372 PolarHBondContact O-N 2.89Å; F370-E372 VanDerWaalsContact C-N 3.29Å; F370-E372 PolarHBondContact O-N 3.04Å |
| 373 | L | 91.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -93.9 | -10.5 | -171.7 | -65.4 | 170.7 | 0 | 0 | 0 | 114.4 | G333 K336 V337 L340 L369 F370 I375 L577 | G333-L373 WeakPolarHBondContact O-CD2 3.33Å; K336-L373 HydrophobicContact CB-CD1 3.91Å; K336-L373 HydrophobicContact CB-CD2 3.82Å; K336-L373 HydrophobicContact CB-CG 4.32Å; K336-L373 HydrophobicContact CD-CD2 4.33Å; V337-L373 HydrophobicContact CG2-CD1 4.03Å; V337-L373 HydrophobicContact CG2-CD2 4.48Å; L340-L373 HydrophobicContact CB-CD1 4.27Å; L340-L373 HydrophobicContact CD1-CD1 3.94Å; L369-L373 HydrophobicContact CB-CD1 4.39Å; L369-L373 WeakPolarHBondContact O-CB 3.34Å; L369-L373 VanDerWaalsContact O-CG 3.22Å; L369-L373 WeakPolarHBondContact O-CG 3.1Å; L369-L373 PolarHBondContact O-N 3Å; F370-L373 PolarHBondContact O-N 3.1Å; L373-I375 WeakPolarHBondContact O-CG1 3.45Å; L373-I375 PolarHBondContact O-N 3.41Å; L373-L577 HydrophobicContact CB-CD1 3.75Å |
| 374 | Y | 91.1 | Very high | 93.6 | Very high | 128 Ų | 128 | 61.7 Ų | 61.7 | 50% | 0.502 | 30% | 0.3 | S | S | . | . | trans | -60.7 | 129.9 | 176.9 | 179 | -96.3 | 0 | 0 | 0 | 110.1 | F370 | F370-Y374 HydrophobicContact CE1-CD2 4.4Å; F370-Y374 AromaticContact CZ-CD2 3.9Å; F370-Y374 HydrophobicContact CZ-CD2 3.9Å; F370-Y374 WeakPolarHBondContact O-CB 3.44Å; F370-Y374 PolarHBondContact O-N 2.86Å | ||
| 375 | I | 89.9 | Confident | 93.6 | Very high | 26 Ų | 26 | 68.2 Ų | 68.2 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | trans | -113.2 | 127.9 | -179.8 | -49 | 177.7 | 0 | 0 | 0 | 107.9 | L373 P377 V380 R394 L397 R398 | L373-I375 WeakPolarHBondContact O-CG1 3.45Å; L373-I375 PolarHBondContact O-N 3.41Å; I375-P377 WeakPolarHBondContact O-CD 3.33Å; I375-V380 HydrophobicContact CG2-CG2 3.7Å; I375-R394 HydrophobicContact CD1-CB 3.78Å; I375-R394 HydrophobicContact CD1-CG 4.01Å; I375-R394 WeakPolarHBondContact CD1-O 3.44Å; I375-L397 HydrophobicContact CD1-CB 4.3Å; I375-L397 HydrophobicContact CG2-CB 4.02Å; I375-L397 HydrophobicContact CG2-CD1 3.5Å; I375-L397 HydrophobicContact CG2-CG 4.37Å; I375-R398 HydrophobicContact CD1-CG 3.74Å; I375-R398 HydrophobicContact CG1-CG 4.21Å | ||
| 376 | D | 90.6 | Very high | 93.6 | Very high | 67 Ų | 67 | 69.6 Ų | 69.6 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | trans | -65.4 | 122.4 | 172.9 | -176.2 | -19.1 | 0 | 0 | 0 | 110.5 | S378 K379 V380 | D376-S378 PolarHBondContact O-N 3.4Å; D376-S378 WeakPolarHBondContact OD1-CB 3.39Å; D376-S378 PolarHBondContact OD1-N 2.62Å; D376-S378 PolarHBondContact OD1-OG 3.06Å; D376-S378 PolarHBondContact OD2-OG 3.33Å; D376-S378 VanDerWaalsContact OD2-OG 3.07Å; D376-K379 HydrophobicContact CB-CB 4.49Å; D376-K379 HydrophobicContact CB-CD 4.1Å; D376-K379 HydrophobicContact CB-CG 4.04Å; D376-K379 WeakPolarHBondContact O-CB 3.29Å; D376-K379 PolarHBondContact O-N 3.5Å; D376-V380 PolarHBondContact O-N 3.15Å | ||
| 377 | P | 92.7 | Very high | 93.5 | Very high | 74 Ų | 74 | 72.1 Ų | 72.1 | 48% | 0.481 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -53.8 | -35.2 | 177.7 | -26.8 | 35.2 | 0 | 0 | 0 | 113.6 | I375 K379 V380 D381 | I375-P377 WeakPolarHBondContact O-CD 3.33Å; P377-K379 VanDerWaalsContact C-N 3.25Å; P377-K379 PolarHBondContact O-N 3.47Å; P377-V380 WeakPolarHBondContact O-CB 3.41Å; P377-V380 PolarHBondContact O-N 2.98Å; P377-D381 PolarHBondContact O-N 2.9Å |
| 378 | S | 94.4 | Very high | 93.4 | Very high | 56 Ų | 56 | 69.3 Ų | 69.3 | 39% | 0.392 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.3 | -32.4 | 179.6 | 67 | 0 | 0 | 0 | 0 | 112.7 | D376 D381 N382 | D376-S378 PolarHBondContact O-N 3.4Å; D376-S378 WeakPolarHBondContact OD1-CB 3.39Å; D376-S378 PolarHBondContact OD1-N 2.62Å; D376-S378 PolarHBondContact OD1-OG 3.06Å; D376-S378 PolarHBondContact OD2-OG 3.33Å; D376-S378 VanDerWaalsContact OD2-OG 3.07Å; S378-D381 PolarHBondContact O-N 2.85Å; S378-N382 VanDerWaalsContact O-CG 3.31Å; S378-N382 PolarHBondContact O-N 2.89Å; S378-N382 VanDerWaalsContact O-N 3.12Å; S378-N382 PolarHBondContact O-ND2 3.27Å |
| 379 | K | 94.3 | Very high | 93.3 | Very high | 72 Ų | 72 | 66.9 Ų | 66.9 | 31% | 0.313 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -72.9 | -32.5 | 175.6 | -64.6 | -176.9 | 179.5 | -175.4 | 0 | 112 | D376 P377 L383 L397 G402 V404 | D376-K379 HydrophobicContact CB-CB 4.49Å; D376-K379 HydrophobicContact CB-CD 4.1Å; D376-K379 HydrophobicContact CB-CG 4.04Å; D376-K379 WeakPolarHBondContact O-CB 3.29Å; D376-K379 PolarHBondContact O-N 3.5Å; P377-K379 VanDerWaalsContact C-N 3.25Å; P377-K379 PolarHBondContact O-N 3.47Å; K379-L383 PolarHBondContact O-N 2.88Å; K379-L397 HydrophobicContact CB-CD1 3.98Å; K379-L397 HydrophobicContact CB-CD2 4.35Å; K379-G402 WeakPolarHBondContact CD-O 3.36Å; K379-G402 PolarHBondContact NZ-O 3.25Å; K379-V404 HydrophobicContact CB-CG2 3.91Å; K379-V404 HydrophobicContact CD-CG2 4.25Å; K379-V404 HydrophobicContact CG-CG2 3.96Å |
| 380 | V | 94.4 | Very high | 93.2 | Very high | 16 Ų | 16 | 67.5 Ų | 67.5 | 10% | 0.097 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 173.2 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | I375 D376 P377 N382 L383 L384 A393 R394 L397 | I375-V380 HydrophobicContact CG2-CG2 3.7Å; D376-V380 PolarHBondContact O-N 3.15Å; P377-V380 WeakPolarHBondContact O-CB 3.41Å; P377-V380 PolarHBondContact O-N 2.98Å; V380-N382 VanDerWaalsContact C-N 3.32Å; V380-N382 PolarHBondContact O-N 2.95Å; V380-L383 PolarHBondContact O-N 3.29Å; V380-L383 VanDerWaalsContact O-N 3.12Å; V380-L384 HydrophobicContact CG1-CD1 3.92Å; V380-L384 HydrophobicContact CG1-CG 4.45Å; V380-L384 WeakPolarHBondContact O-CG 3.45Å; V380-L384 PolarHBondContact O-N 3.47Å; V380-A393 HydrophobicContact CG1-CB 3.91Å; V380-R394 HydrophobicContact CG2-CG 4.18Å; V380-L397 HydrophobicContact CG2-CD1 3.88Å |
| 381 | D | 95 | Very high | 93.1 | Very high | 86 Ų | 86 | 68.2 Ų | 68.2 | 46% | 0.46 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.5 | -39.9 | 176.9 | -68.6 | -23.2 | 0 | 0 | 0 | 112.4 | P377 S378 L383 L384 Q385 | P377-D381 PolarHBondContact O-N 2.9Å; S378-D381 PolarHBondContact O-N 2.85Å; D381-L383 VanDerWaalsContact C-N 3.34Å; D381-L383 PolarHBondContact O-N 2.97Å; D381-L384 WeakPolarHBondContact O-CB 3.46Å; D381-L384 PolarHBondContact O-N 3.31Å; D381-Q385 WeakPolarHBondContact O-CG 3.26Å; D381-Q385 PolarHBondContact O-N 3.46Å |
| 382 | N | 95.2 | Very high | 93.1 | Very high | 74 Ų | 74 | 62.2 Ų | 62.2 | 40% | 0.396 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 174.5 | -68.9 | -20.5 | 0 | 0 | 0 | 112.3 | S378 V380 Q385 L386 V404 | S378-N382 VanDerWaalsContact O-CG 3.31Å; S378-N382 PolarHBondContact O-N 2.89Å; S378-N382 VanDerWaalsContact O-N 3.12Å; S378-N382 PolarHBondContact O-ND2 3.27Å; V380-N382 VanDerWaalsContact C-N 3.32Å; V380-N382 PolarHBondContact O-N 2.95Å; N382-Q385 PolarHBondContact O-N 3.09Å; N382-L386 PolarHBondContact O-N 3.01Å; N382-V404 HydrophobicContact CB-CG1 4.22Å |
| 383 | L | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.7 | -33.5 | 177.6 | -68.7 | 179.2 | 0 | 0 | 0 | 112.3 | K379 V380 D381 Q385 L386 G387 F388 A393 L397 V404 A407 A408 I411 | K379-L383 PolarHBondContact O-N 2.88Å; V380-L383 PolarHBondContact O-N 3.29Å; V380-L383 VanDerWaalsContact O-N 3.12Å; D381-L383 VanDerWaalsContact C-N 3.34Å; D381-L383 PolarHBondContact O-N 2.97Å; L383-Q385 VanDerWaalsContact C-N 3.32Å; L383-Q385 PolarHBondContact O-N 2.92Å; L383-L386 HydrophobicContact CD2-CD1 4.1Å; L383-L386 WeakPolarHBondContact O-CB 3Å; L383-L386 PolarHBondContact O-N 3.46Å; L383-L386 VanDerWaalsContact O-N 3.15Å; L383-G387 PolarHBondContact O-N 3.48Å; L383-F388 HydrophobicContact CB-CD2 4.13Å; L383-F388 HydrophobicContact CD2-CD2 4.08Å; L383-F388 HydrophobicContact CD2-CE2 4.29Å; L383-F388 WeakPolarHBondContact O-CB 3.15Å; L383-F388 WeakPolarHBondContact O-CD2 3.4Å; L383-F388 PolarHBondContact O-N 2.88Å; L383-A393 HydrophobicContact CB-CB 3.69Å; L383-A393 HydrophobicContact CD1-CB 3.82Å; L383-A393 HydrophobicContact CG-CB 4.4Å; L383-L397 HydrophobicContact CD1-CD1 3.87Å; L383-L397 HydrophobicContact CD1-CD2 4.02Å; L383-L397 HydrophobicContact CD1-CG 3.66Å; L383-V404 HydrophobicContact CD2-CG1 3.8Å; L383-V404 HydrophobicContact CG-CG1 4.15Å; L383-A407 HydrophobicContact CD1-CB 3.98Å; L383-A408 HydrophobicContact CD2-CB 3.87Å; L383-I411 HydrophobicContact CD1-CD1 4.17Å |
| 384 | L | 95.4 | Very high | 93.3 | Very high | 69 Ų | 69 | 58.9 Ų | 58.9 | 36% | 0.361 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 171.9 | -77.3 | 159.2 | 0 | 0 | 0 | 111.3 | V380 D381 L386 G387 F388 A390 | V380-L384 HydrophobicContact CG1-CD1 3.92Å; V380-L384 HydrophobicContact CG1-CG 4.45Å; V380-L384 WeakPolarHBondContact O-CG 3.45Å; V380-L384 PolarHBondContact O-N 3.47Å; D381-L384 WeakPolarHBondContact O-CB 3.46Å; D381-L384 PolarHBondContact O-N 3.31Å; L384-L386 PolarHBondContact O-N 2.88Å; L384-G387 PolarHBondContact O-N 3.23Å; L384-F388 WeakPolarHBondContact CD2-O 3.29Å; L384-A390 HydrophobicContact CD2-CB 4.2Å |
| 385 | Q | 95.4 | Very high | 93.4 | Very high | 157 Ų | 157 | 52.9 Ų | 52.9 | 73% | 0.734 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.6 | -26.9 | 175.3 | -71.4 | 173.8 | 10.9 | 0 | 0 | 113.1 | D381 N382 L383 G387 | D381-Q385 WeakPolarHBondContact O-CG 3.26Å; D381-Q385 PolarHBondContact O-N 3.46Å; N382-Q385 PolarHBondContact O-N 3.09Å; L383-Q385 VanDerWaalsContact C-N 3.32Å; L383-Q385 PolarHBondContact O-N 2.92Å; Q385-G387 PolarHBondContact O-N 3.5Å |
| 386 | L | 93.4 | Very high | 93.5 | Very high | 113 Ų | 113 | 51.7 Ų | 51.7 | 59% | 0.592 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -1.9 | 172.9 | -61.3 | 176.5 | 0 | 0 | 0 | 113.3 | N382 L383 L384 F388 A408 | N382-L386 PolarHBondContact O-N 3.01Å; L383-L386 HydrophobicContact CD2-CD1 4.1Å; L383-L386 WeakPolarHBondContact O-CB 3Å; L383-L386 PolarHBondContact O-N 3.46Å; L383-L386 VanDerWaalsContact O-N 3.15Å; L384-L386 PolarHBondContact O-N 2.88Å; L386-F388 HydrophobicContact CB-CD2 3.92Å; L386-F388 HydrophobicContact CB-CE2 3.86Å; L386-F388 HydrophobicContact CD1-CE2 4.17Å; L386-A408 HydrophobicContact CD1-CB 4.13Å |
| 387 | G | 93.8 | Very high | 93.6 | Very high | 53 Ų | 53 | 48.6 Ų | 48.6 | 55% | 0.546 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | 16.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L383 L384 Q385 | L383-G387 PolarHBondContact O-N 3.48Å; L384-G387 PolarHBondContact O-N 3.23Å; Q385-G387 PolarHBondContact O-N 3.5Å |
| 388 | F | 94.1 | Very high | 93.5 | Very high | 20 Ų | 20 | 45.7 Ų | 45.7 | 9% | 0.088 | 25% | 0.252 | C | S | . | . | trans | -83.4 | 152.5 | 170.3 | -59 | -60.1 | 0 | 0 | 0 | 111.2 | L383 L384 L386 A408 I411 | L383-F388 HydrophobicContact CB-CD2 4.13Å; L383-F388 HydrophobicContact CD2-CD2 4.08Å; L383-F388 HydrophobicContact CD2-CE2 4.29Å; L383-F388 WeakPolarHBondContact O-CB 3.15Å; L383-F388 WeakPolarHBondContact O-CD2 3.4Å; L383-F388 PolarHBondContact O-N 2.88Å; L384-F388 WeakPolarHBondContact CD2-O 3.29Å; L386-F388 HydrophobicContact CB-CD2 3.92Å; L386-F388 HydrophobicContact CB-CE2 3.86Å; L386-F388 HydrophobicContact CD1-CE2 4.17Å; F388-A408 HydrophobicContact CE2-CB 3.95Å; F388-A408 HydrophobicContact CZ-CB 4.48Å; F388-I411 HydrophobicContact CD1-CB 4.23Å; F388-I411 HydrophobicContact CD1-CG2 3.38Å; F388-I411 HydrophobicContact CD2-CD1 4.34Å; F388-I411 HydrophobicContact CE1-CB 4.04Å; F388-I411 HydrophobicContact CE1-CG2 3.48Å; F388-I411 VanDerWaalsContact CE1-CG2 3.48Å; F388-I411 HydrophobicContact CG-CD1 4.27Å; F388-I411 HydrophobicContact CG-CG2 4.12Å; F388-I411 HydrophobicContact CZ-CB 4.38Å; F388-I411 HydrophobicContact CZ-CG2 4.29Å | ||
| 389 | T | 92.8 | Very high | 93.2 | Very high | 70 Ų | 70 | 43.7 Ų | 43.7 | 43% | 0.429 | 24% | 0.239 | S | C | . | . | trans | -73.5 | 157.5 | 172.4 | 63.6 | 0 | 0 | 0 | 0 | 110.7 | Q391 E392 A393 | T389-Q391 PolarHBondContact O-N 2.89Å; T389-E392 WeakPolarHBondContact CB-OE2 3.23Å; T389-E392 WeakPolarHBondContact CG2-OE2 3.48Å; T389-E392 PolarHBondContact N-OE2 3.43Å; T389-E392 PolarHBondContact O-N 3.15Å; T389-E392 WeakPolarHBondContact OG1-CB 3.46Å; T389-E392 VanDerWaalsContact OG1-CD 3.28Å; T389-E392 WeakPolarHBondContact OG1-CG 3.33Å; T389-E392 PolarHBondContact OG1-N 3.34Å; T389-E392 PolarHBondContact OG1-OE2 2.95Å; T389-A393 WeakPolarHBondContact O-CB 3.48Å; T389-A393 PolarHBondContact O-N 3.36Å | ||
| 390 | A | 92.3 | Very high | 93.1 | Very high | 35 Ų | 35 | 41.3 Ų | 41.3 | 29% | 0.289 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.2 | -35.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L384 R394 | L384-A390 HydrophobicContact CD2-CB 4.2Å; A390-R394 WeakPolarHBondContact O-CG 3.32Å; A390-R394 PolarHBondContact O-N 3.45Å |
| 391 | Q | 90.8 | Very high | 92.7 | Very high | 36 Ų | 36 | 47.7 Ų | 47.7 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -52.1 | 175.2 | 170.8 | 167.5 | 79.2 | 0 | 0 | 111.7 | T389 A393 R394 L395 D571 D574 | T389-Q391 PolarHBondContact O-N 2.89Å; Q391-A393 VanDerWaalsContact C-N 3.27Å; Q391-A393 PolarHBondContact O-N 3.11Å; Q391-R394 PolarHBondContact O-N 3.09Å; Q391-L395 HydrophobicContact CG-CD1 3.94Å; Q391-L395 HydrophobicContact CG-CG 4.47Å; Q391-L395 WeakPolarHBondContact O-CB 3.25Å; Q391-L395 WeakPolarHBondContact O-CG 3.17Å; Q391-L395 PolarHBondContact O-N 2.93Å; Q391-D571 PolarHBondContact NE2-OD1 3.14Å; Q391-D574 VanDerWaalsContact CB-OD2 3.3Å; Q391-D574 WeakPolarHBondContact CB-OD2 3.11Å; Q391-D574 HydrophobicContact CG-CB 4.07Å; Q391-D574 WeakPolarHBondContact CG-OD2 3.34Å; Q391-D574 PolarHBondContact NE2-OD2 3.46Å |
| 392 | E | 92.1 | Very high | 92.3 | Very high | 29 Ų | 29 | 44.5 Ų | 44.5 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 178.5 | -72.1 | 166.1 | 130.2 | 0 | 0 | 111.4 | T389 G396 I411 R415 | T389-E392 WeakPolarHBondContact CB-OE2 3.23Å; T389-E392 WeakPolarHBondContact CG2-OE2 3.48Å; T389-E392 PolarHBondContact N-OE2 3.43Å; T389-E392 PolarHBondContact O-N 3.15Å; T389-E392 WeakPolarHBondContact OG1-CB 3.46Å; T389-E392 VanDerWaalsContact OG1-CD 3.28Å; T389-E392 WeakPolarHBondContact OG1-CG 3.33Å; T389-E392 PolarHBondContact OG1-N 3.34Å; T389-E392 PolarHBondContact OG1-OE2 2.95Å; E392-G396 WeakPolarHBondContact O-CA 3.11Å; E392-G396 PolarHBondContact O-N 3.4Å; E392-I411 HydrophobicContact CB-CD1 4.4Å; E392-I411 HydrophobicContact CB-CG2 4.04Å; E392-I411 HydrophobicContact CG-CG2 4.4Å; E392-I411 VanDerWaalsContact O-CD1 3.31Å; E392-I411 WeakPolarHBondContact O-CD1 3.21Å; E392-R415 VanDerWaalsContact CD-NH2 3.27Å; E392-R415 IonicContact OE1-CZ 2.64Å; E392-R415 IonicContact OE1-NE 2.64Å; E392-R415 PolarHBondContact OE1-NE 3.29Å; E392-R415 IonicContact OE1-NH2 2.88Å; E392-R415 PolarHBondContact OE1-NH2 2.73Å; E392-R415 VanDerWaalsContact OE1-NH2 3.1Å; E392-R415 IonicContact OE2-CZ 2.74Å; E392-R415 IonicContact OE2-NE 2.73Å; E392-R415 IonicContact OE2-NH2 3.69Å; E392-R415 PolarHBondContact OE2-NH2 2.96Å |
| 393 | A | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -49.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V380 L383 T389 Q391 L397 | V380-A393 HydrophobicContact CG1-CB 3.91Å; L383-A393 HydrophobicContact CB-CB 3.69Å; L383-A393 HydrophobicContact CD1-CB 3.82Å; L383-A393 HydrophobicContact CG-CB 4.4Å; T389-A393 WeakPolarHBondContact O-CB 3.48Å; T389-A393 PolarHBondContact O-N 3.36Å; Q391-A393 VanDerWaalsContact C-N 3.27Å; Q391-A393 PolarHBondContact O-N 3.11Å; A393-L397 VanDerWaalsContact O-CB 3.28Å; A393-L397 WeakPolarHBondContact O-CB 3.48Å; A393-L397 WeakPolarHBondContact O-CD1 3.41Å; A393-L397 WeakPolarHBondContact O-CG 3.29Å; A393-L397 PolarHBondContact O-N 3.02Å |
| 394 | R | 93 | Very high | 92.1 | Very high | 56 Ų | 56 | 45.4 Ų | 45.4 | 21% | 0.211 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 178.3 | -73.4 | -172 | -62.7 | -93.9 | -1 | 112.4 | I375 V380 A390 Q391 L397 R398 D574 | I375-R394 HydrophobicContact CD1-CB 3.78Å; I375-R394 HydrophobicContact CD1-CG 4.01Å; I375-R394 WeakPolarHBondContact CD1-O 3.44Å; V380-R394 HydrophobicContact CG2-CG 4.18Å; A390-R394 WeakPolarHBondContact O-CG 3.32Å; A390-R394 PolarHBondContact O-N 3.45Å; Q391-R394 PolarHBondContact O-N 3.09Å; R394-L397 PolarHBondContact O-N 3.07Å; R394-R398 WeakPolarHBondContact O-CG 3.42Å; R394-R398 PolarHBondContact O-N 3.1Å; R394-D574 IonicContact CZ-OD1 3.51Å; R394-D574 IonicContact CZ-OD2 2.71Å; R394-D574 IonicContact NE-OD1 3.17Å; R394-D574 PolarHBondContact NE-OD1 3.23Å; R394-D574 IonicContact NE-OD2 2.67Å; R394-D574 VanDerWaalsContact NH2-CG 3.32Å; R394-D574 IonicContact NH2-OD1 3.83Å; R394-D574 PolarHBondContact NH2-OD1 3.4Å; R394-D574 VanDerWaalsContact NH2-OD1 3.16Å; R394-D574 IonicContact NH2-OD2 3.64Å; R394-D574 PolarHBondContact NH2-OD2 3.12Å |
| 395 | L | 91.5 | Very high | 92 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 179.7 | -68.4 | 179.9 | 0 | 0 | 0 | 111.6 | K334 Q391 R398 A399 E570 L573 D574 | K334-L395 HydrophobicContact CD-CB 4.25Å; K334-L395 HydrophobicContact CD-CD2 4.37Å; K334-L395 WeakPolarHBondContact CE-O 3.45Å; K334-L395 HydrophobicContact CG-CD2 4.36Å; K334-L395 WeakPolarHBondContact CG-O 3.4Å; Q391-L395 HydrophobicContact CG-CD1 3.94Å; Q391-L395 HydrophobicContact CG-CG 4.47Å; Q391-L395 WeakPolarHBondContact O-CB 3.25Å; Q391-L395 WeakPolarHBondContact O-CG 3.17Å; Q391-L395 PolarHBondContact O-N 2.93Å; L395-R398 PolarHBondContact O-N 3.17Å; L395-A399 PolarHBondContact O-N 2.96Å; L395-E570 HydrophobicContact CD1-CB 4.02Å; L395-L573 HydrophobicContact CD2-CB 3.99Å; L395-D574 HydrophobicContact CD2-CB 4.33Å; L395-D574 HydrophobicContact CG-CB 4.43Å |
| 396 | G | 92.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E392 R398 A399 C400 | E392-G396 WeakPolarHBondContact O-CA 3.11Å; E392-G396 PolarHBondContact O-N 3.4Å; G396-R398 VanDerWaalsContact C-N 3.33Å; G396-R398 PolarHBondContact O-N 3.35Å; G396-A399 PolarHBondContact O-N 3.15Å; G396-C400 PolarHBondContact O-N 3.38Å |
| 397 | L | 92.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -38.6 | 176.4 | -72.8 | 167 | 0 | 0 | 0 | 112 | I375 K379 V380 L383 A393 R394 C400 D401 G402 V404 A407 | I375-L397 HydrophobicContact CD1-CB 4.3Å; I375-L397 HydrophobicContact CG2-CB 4.02Å; I375-L397 HydrophobicContact CG2-CD1 3.5Å; I375-L397 HydrophobicContact CG2-CG 4.37Å; K379-L397 HydrophobicContact CB-CD1 3.98Å; K379-L397 HydrophobicContact CB-CD2 4.35Å; V380-L397 HydrophobicContact CG2-CD1 3.88Å; L383-L397 HydrophobicContact CD1-CD1 3.87Å; L383-L397 HydrophobicContact CD1-CD2 4.02Å; L383-L397 HydrophobicContact CD1-CG 3.66Å; A393-L397 VanDerWaalsContact O-CB 3.28Å; A393-L397 WeakPolarHBondContact O-CB 3.48Å; A393-L397 WeakPolarHBondContact O-CD1 3.41Å; A393-L397 WeakPolarHBondContact O-CG 3.29Å; A393-L397 PolarHBondContact O-N 3.02Å; R394-L397 PolarHBondContact O-N 3.07Å; L397-C400 CarbonylContact O-C 3.01Å; L397-C400 PolarHBondContact O-N 3.26Å; L397-D401 PolarHBondContact O-N 2.92Å; L397-G402 PolarHBondContact O-N 2.95Å; L397-V404 HydrophobicContact CD2-CG2 4.25Å; L397-A407 HydrophobicContact CD2-CB 3.92Å; L397-A407 HydrophobicContact CG-CB 4.22Å |
| 398 | R | 91.2 | Very high | 92 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.9 | -36.5 | 174.1 | -76.2 | 176.8 | -174 | 131.6 | 16.5 | 113.4 | G333 K334 I375 R394 L395 G396 C400 L573 S575 | G333-R398 WeakPolarHBondContact CA-O 3.47Å; K334-R398 HydrophobicContact CG-CB 4.13Å; I375-R398 HydrophobicContact CD1-CG 3.74Å; I375-R398 HydrophobicContact CG1-CG 4.21Å; R394-R398 WeakPolarHBondContact O-CG 3.42Å; R394-R398 PolarHBondContact O-N 3.1Å; L395-R398 PolarHBondContact O-N 3.17Å; G396-R398 VanDerWaalsContact C-N 3.33Å; G396-R398 PolarHBondContact O-N 3.35Å; R398-C400 VanDerWaalsContact C-N 3.28Å; R398-L573 PolarHBondContact NH1-O 3.33Å; R398-S575 VanDerWaalsContact CZ-O 3.29Å; R398-S575 PolarHBondContact NH1-O 3.29Å; R398-S575 VanDerWaalsContact NH1-O 3.1Å; R398-S575 PolarHBondContact NH2-O 2.95Å |
| 399 | A | 89.3 | Confident | 92 | Very high | 14 Ų | 14 | 41.7 Ų | 41.7 | 12% | 0.116 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.8 | -24.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N331 K334 L395 G396 | N331-A399 HydrophobicContact CB-CB 4.44Å; K334-A399 HydrophobicContact CD-CB 4.4Å; K334-A399 HydrophobicContact CG-CB 4.26Å; L395-A399 PolarHBondContact O-N 2.96Å; G396-A399 PolarHBondContact O-N 3.15Å |
| 400 | C | 90.1 | Very high | 91.9 | Very high | 22 Ų | 22 | 40.8 Ų | 40.8 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 25.4 | -175.6 | -60.6 | 0 | 0 | 0 | 0 | 113.4 | G396 L397 R398 G402 N403 H406 A407 | G396-C400 PolarHBondContact O-N 3.38Å; L397-C400 CarbonylContact O-C 3.01Å; L397-C400 PolarHBondContact O-N 3.26Å; R398-C400 VanDerWaalsContact C-N 3.28Å; C400-G402 PolarHBondContact O-N 3.1Å; C400-N403 WeakPolarHBondContact O-CB 3.49Å; C400-N403 PolarHBondContact O-N 2.91Å; C400-H406 HydrophobicContact CB-CB 3.89Å; C400-A407 HydrophobicContact CB-CB 4.26Å |
| 401 | D | 86.7 | Confident | 91.9 | Very high | 150 Ų | 150 | 39.5 Ų | 39.5 | 80% | 0.802 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 36.3 | 177.6 | -59.8 | -46.2 | 0 | 0 | 0 | 114 | L397 | L397-D401 PolarHBondContact O-N 2.92Š|
| 402 | G | 87.6 | Confident | 92.1 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 20% | 0.196 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 14.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K379 L397 C400 | K379-G402 WeakPolarHBondContact CD-O 3.36Å; K379-G402 PolarHBondContact NZ-O 3.25Å; L397-G402 PolarHBondContact O-N 2.95Å; C400-G402 PolarHBondContact O-N 3.1Å |
| 403 | N | 91.9 | Very high | 92 | Very high | 62 Ų | 62 | 42.8 Ų | 42.8 | 33% | 0.332 | 23% | 0.234 | S | C | . | . | trans | -84.2 | 120.1 | 171.3 | -176.8 | -37.9 | 0 | 0 | 0 | 110.9 | C400 D405 H406 A407 | C400-N403 WeakPolarHBondContact O-CB 3.49Å; C400-N403 PolarHBondContact O-N 2.91Å; N403-D405 PolarHBondContact OD1-N 2.93Å; N403-H406 HydrophobicContact CB-CB 4.11Å; N403-H406 PolarHBondContact OD1-N 3.45Å; N403-H406 VanDerWaalsContact OD1-N 3.14Å; N403-A407 WeakPolarHBondContact O-CB 3.33Å; N403-A407 PolarHBondContact O-N 2.74Å | ||
| 404 | V | 94.6 | Very high | 91.7 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 19% | 0.188 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.8 | -44.2 | -175.2 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | K379 N382 L383 L397 A407 A408 | K379-V404 HydrophobicContact CB-CG2 3.91Å; K379-V404 HydrophobicContact CD-CG2 4.25Å; K379-V404 HydrophobicContact CG-CG2 3.96Å; N382-V404 HydrophobicContact CB-CG1 4.22Å; L383-V404 HydrophobicContact CD2-CG1 3.8Å; L383-V404 HydrophobicContact CG-CG1 4.15Å; L397-V404 HydrophobicContact CD2-CG2 4.25Å; V404-A407 PolarHBondContact O-N 3.23Å; V404-A408 PolarHBondContact O-N 3.26Å |
| 405 | D | 93.7 | Very high | 91.5 | Very high | 121 Ų | 121 | 47.1 Ų | 47.1 | 65% | 0.647 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -68.7 | -43.6 | -176.2 | -59.6 | -39.1 | 0 | 0 | 0 | 111.5 | N403 A407 A408 T409 | N403-D405 PolarHBondContact OD1-N 2.93Å; D405-A407 VanDerWaalsContact C-N 3.34Å; D405-A408 PolarHBondContact O-N 2.98Å; D405-T409 PolarHBondContact O-N 3.4Å; D405-T409 VanDerWaalsContact O-N 3.11Å; D405-T409 PolarHBondContact O-OG1 3.02Å |
| 406 | H | 92.7 | Very high | 91.5 | Very high | 119 Ų | 119 | 53 Ų | 53 | 55% | 0.551 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.6 | -40.7 | 174.6 | -71.9 | -169.8 | 0 | 0 | 0 | 111 | C400 N403 T409 H410 | C400-H406 HydrophobicContact CB-CB 3.89Å; N403-H406 HydrophobicContact CB-CB 4.11Å; N403-H406 PolarHBondContact OD1-N 3.45Å; N403-H406 VanDerWaalsContact OD1-N 3.14Å; H406-T409 PolarHBondContact O-N 3.45Å; H406-H410 VanDerWaalsContact O-CB 3.27Å; H406-H410 WeakPolarHBondContact O-CB 3.4Å; H406-H410 PolarHBondContact O-N 3.33Å |
| 407 | A | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L383 L397 C400 N403 V404 D405 T409 H410 I411 | L383-A407 HydrophobicContact CD1-CB 3.98Å; L397-A407 HydrophobicContact CD2-CB 3.92Å; L397-A407 HydrophobicContact CG-CB 4.22Å; C400-A407 HydrophobicContact CB-CB 4.26Å; N403-A407 WeakPolarHBondContact O-CB 3.33Å; N403-A407 PolarHBondContact O-N 2.74Å; V404-A407 PolarHBondContact O-N 3.23Å; D405-A407 VanDerWaalsContact C-N 3.34Å; A407-T409 VanDerWaalsContact C-N 3.33Å; A407-T409 PolarHBondContact O-N 2.92Å; A407-H410 PolarHBondContact O-N 2.73Å; A407-I411 WeakPolarHBondContact O-CB 3.38Å; A407-I411 WeakPolarHBondContact O-CD1 3.36Å; A407-I411 WeakPolarHBondContact O-CG1 3.39Å; A407-I411 PolarHBondContact O-N 2.64Å |
| 408 | A | 94.8 | Very high | 90.9 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 12% | 0.124 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.3 | -44 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L383 L386 F388 V404 D405 T412 | L383-A408 HydrophobicContact CD2-CB 3.87Å; L386-A408 HydrophobicContact CD1-CB 4.13Å; F388-A408 HydrophobicContact CE2-CB 3.95Å; F388-A408 HydrophobicContact CZ-CB 4.48Å; V404-A408 PolarHBondContact O-N 3.26Å; D405-A408 PolarHBondContact O-N 2.98Å; A408-T412 WeakPolarHBondContact O-CB 3.17Å; A408-T412 PolarHBondContact O-N 2.91Å; A408-T412 PolarHBondContact O-OG1 3.39Å |
| 409 | T | 94.3 | Very high | 90.8 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 176.6 | -52.9 | 0 | 0 | 0 | 0 | 111.1 | D405 H406 A407 I411 T412 N413 | D405-T409 PolarHBondContact O-N 3.4Å; D405-T409 VanDerWaalsContact O-N 3.11Å; D405-T409 PolarHBondContact O-OG1 3.02Å; H406-T409 PolarHBondContact O-N 3.45Å; A407-T409 VanDerWaalsContact C-N 3.33Å; A407-T409 PolarHBondContact O-N 2.92Å; T409-I411 PolarHBondContact O-N 3.21Å; T409-T412 PolarHBondContact O-N 3.26Å; T409-N413 VanDerWaalsContact O-CG 3.27Å; T409-N413 PolarHBondContact O-N 3.21Å; T409-N413 PolarHBondContact O-OD1 2.64Å |
| 410 | H | 91.6 | Very high | 90.8 | Very high | 51 Ų | 51 | 64.5 Ų | 64.5 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 179.1 | 177.9 | -79.1 | 0 | 0 | 0 | 112.2 | N331 H406 A407 T412 R414 | N331-H410 PolarHBondContact ND2-NE2 2.96Å; H406-H410 VanDerWaalsContact O-CB 3.27Å; H406-H410 WeakPolarHBondContact O-CB 3.4Å; H406-H410 PolarHBondContact O-N 3.33Å; A407-H410 PolarHBondContact O-N 2.73Å; H410-T412 VanDerWaalsContact C-N 3.35Å; H410-R414 VanDerWaalsContact O-CB 3.29Å; H410-R414 WeakPolarHBondContact O-CB 3.49Å; H410-R414 PolarHBondContact O-N 3.49Å |
| 411 | I | 92.3 | Very high | 90.6 | Very high | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 177.7 | -64.7 | 160.5 | 0 | 0 | 0 | 110.4 | L383 F388 E392 A407 T409 R414 R415 | L383-I411 HydrophobicContact CD1-CD1 4.17Å; F388-I411 HydrophobicContact CD1-CB 4.23Å; F388-I411 HydrophobicContact CD1-CG2 3.38Å; F388-I411 HydrophobicContact CD2-CD1 4.34Å; F388-I411 HydrophobicContact CE1-CB 4.04Å; F388-I411 HydrophobicContact CE1-CG2 3.48Å; F388-I411 VanDerWaalsContact CE1-CG2 3.48Å; F388-I411 HydrophobicContact CG-CD1 4.27Å; F388-I411 HydrophobicContact CG-CG2 4.12Å; F388-I411 HydrophobicContact CZ-CB 4.38Å; F388-I411 HydrophobicContact CZ-CG2 4.29Å; E392-I411 HydrophobicContact CB-CD1 4.4Å; E392-I411 HydrophobicContact CB-CG2 4.04Å; E392-I411 HydrophobicContact CG-CG2 4.4Å; E392-I411 VanDerWaalsContact O-CD1 3.31Å; E392-I411 WeakPolarHBondContact O-CD1 3.21Å; A407-I411 WeakPolarHBondContact O-CB 3.38Å; A407-I411 WeakPolarHBondContact O-CD1 3.36Å; A407-I411 WeakPolarHBondContact O-CG1 3.39Å; A407-I411 PolarHBondContact O-N 2.64Å; T409-I411 PolarHBondContact O-N 3.21Å; I411-R414 PolarHBondContact O-N 3.36Å; I411-R415 WeakPolarHBondContact O-CG 3.17Å; I411-R415 PolarHBondContact O-N 2.91Å |
| 412 | T | 93.2 | Very high | 90.5 | Very high | 54 Ų | 54 | 65 Ų | 65 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.4 | -51.5 | 179.5 | -54 | 0 | 0 | 0 | 0 | 111.3 | A408 T409 H410 R414 R415 E416 | A408-T412 WeakPolarHBondContact O-CB 3.17Å; A408-T412 PolarHBondContact O-N 2.91Å; A408-T412 PolarHBondContact O-OG1 3.39Å; T409-T412 PolarHBondContact O-N 3.26Å; H410-T412 VanDerWaalsContact C-N 3.35Å; T412-R414 VanDerWaalsContact C-N 3.26Å; T412-R414 PolarHBondContact O-N 2.74Å; T412-R415 WeakPolarHBondContact O-CB 3.31Å; T412-R415 PolarHBondContact O-N 3.49Å; T412-R415 VanDerWaalsContact O-N 3.15Å; T412-E416 PolarHBondContact O-N 2.95Å; T412-E416 VanDerWaalsContact O-N 3.08Å |
| 413 | N | 91.2 | Very high | 90.4 | Very high | 80 Ų | 80 | 70.8 Ų | 70.8 | 43% | 0.428 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.6 | -41.9 | 176.8 | -67.3 | -8 | 0 | 0 | 0 | 111.3 | T409 R415 E416 E417 | T409-N413 VanDerWaalsContact O-CG 3.27Å; T409-N413 PolarHBondContact O-N 3.21Å; T409-N413 PolarHBondContact O-OD1 2.64Å; N413-R415 PolarHBondContact O-N 2.91Å; N413-E416 PolarHBondContact O-N 3.1Å; N413-E417 WeakPolarHBondContact O-CG 3.32Å; N413-E417 PolarHBondContact O-N 3.37Å |
| 414 | R | 88.1 | Confident | 90.1 | Very high | 44 Ų | 44 | 70.9 Ų | 70.9 | 17% | 0.166 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66 | -38.5 | 179.5 | -172.5 | 58.8 | 179.6 | 160.3 | 5.3 | 112.6 | T219 H410 I411 T412 E416 E417 L418 | T219-R414 PolarHBondContact O-NH2 3.33Å; H410-R414 VanDerWaalsContact O-CB 3.29Å; H410-R414 WeakPolarHBondContact O-CB 3.49Å; H410-R414 PolarHBondContact O-N 3.49Å; I411-R414 PolarHBondContact O-N 3.36Å; T412-R414 VanDerWaalsContact C-N 3.26Å; T412-R414 PolarHBondContact O-N 2.74Å; R414-E416 VanDerWaalsContact C-N 3.33Å; R414-E417 IonicContact CZ-OE2 2.74Å; R414-E417 IonicContact NH1-OE2 2.64Å; R414-E417 PolarHBondContact NH1-OE2 3.44Å; R414-L418 HydrophobicContact CG-CD1 4.15Å; R414-L418 WeakPolarHBondContact O-CB 3.35Å; R414-L418 VanDerWaalsContact O-CG 3.31Å; R414-L418 WeakPolarHBondContact O-CG 3.5Å; R414-L418 PolarHBondContact O-N 2.92Å |
| 415 | R | 89.3 | Confident | 89.4 | Confident | 103 Ų | 103 | 71.1 Ų | 71.1 | 39% | 0.389 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 173.3 | -78.1 | 179.6 | 172.3 | -173.6 | -2.2 | 111.2 | E392 I411 T412 N413 A419 | E392-R415 VanDerWaalsContact CD-NH2 3.27Å; E392-R415 IonicContact OE1-CZ 2.64Å; E392-R415 IonicContact OE1-NE 2.64Å; E392-R415 PolarHBondContact OE1-NE 3.29Å; E392-R415 IonicContact OE1-NH2 2.88Å; E392-R415 PolarHBondContact OE1-NH2 2.73Å; E392-R415 VanDerWaalsContact OE1-NH2 3.1Å; E392-R415 IonicContact OE2-CZ 2.74Å; E392-R415 IonicContact OE2-NE 2.73Å; E392-R415 IonicContact OE2-NH2 3.69Å; E392-R415 PolarHBondContact OE2-NH2 2.96Å; I411-R415 WeakPolarHBondContact O-CG 3.17Å; I411-R415 PolarHBondContact O-N 2.91Å; T412-R415 WeakPolarHBondContact O-CB 3.31Å; T412-R415 PolarHBondContact O-N 3.49Å; T412-R415 VanDerWaalsContact O-N 3.15Å; N413-R415 PolarHBondContact O-N 2.91Å; R415-A419 VanDerWaalsContact O-CB 3.29Å; R415-A419 WeakPolarHBondContact O-CB 3.24Å; R415-A419 PolarHBondContact O-N 2.8Å |
| 416 | E | 90.9 | Very high | 88.8 | Confident | 125 Ų | 125 | 73.3 Ų | 73.3 | 58% | 0.584 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.8 | -47.1 | 178.3 | -69 | 178.8 | -178.9 | 0 | 0 | 112.1 | T412 N413 R414 L418 A419 Q420 | T412-E416 PolarHBondContact O-N 2.95Å; T412-E416 VanDerWaalsContact O-N 3.08Å; N413-E416 PolarHBondContact O-N 3.1Å; R414-E416 VanDerWaalsContact C-N 3.33Å; E416-L418 PolarHBondContact O-N 3.03Å; E416-A419 PolarHBondContact O-N 3.24Å; E416-Q420 WeakPolarHBondContact O-CB 3.06Å; E416-Q420 PolarHBondContact O-N 3.27Å |
| 417 | E | 88.1 | Confident | 88.4 | Confident | 103 Ų | 103 | 71.2 Ų | 71.2 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56.5 | -48.7 | 175.4 | -75.4 | 176.5 | -177 | 0 | 0 | 112 | N413 R414 Q420 I421 | N413-E417 WeakPolarHBondContact O-CG 3.32Å; N413-E417 PolarHBondContact O-N 3.37Å; R414-E417 IonicContact CZ-OE2 2.74Å; R414-E417 IonicContact NH1-OE2 2.64Å; R414-E417 PolarHBondContact NH1-OE2 3.44Å; E417-Q420 WeakPolarHBondContact O-CB 3.49Å; E417-Q420 PolarHBondContact O-N 3.15Å; E417-I421 WeakPolarHBondContact O-CG1 3.07Å; E417-I421 PolarHBondContact O-N 3.42Å |
| 418 | L | 84.6 | Confident | 87.5 | Confident | 28 Ų | 28 | 75.4 Ų | 75.4 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 179.4 | -72.9 | 173.8 | 0 | 0 | 0 | 111.7 | R414 E416 Q420 I421 R422 | R414-L418 HydrophobicContact CG-CD1 4.15Å; R414-L418 WeakPolarHBondContact O-CB 3.35Å; R414-L418 VanDerWaalsContact O-CG 3.31Å; R414-L418 WeakPolarHBondContact O-CG 3.5Å; R414-L418 PolarHBondContact O-N 2.92Å; E416-L418 PolarHBondContact O-N 3.03Å; L418-Q420 VanDerWaalsContact C-N 3.29Å; L418-Q420 PolarHBondContact O-N 3.13Å; L418-I421 PolarHBondContact O-N 3.02Å; L418-R422 WeakPolarHBondContact O-CB 3.5Å; L418-R422 VanDerWaalsContact O-CG 3.25Å; L418-R422 WeakPolarHBondContact O-CG 3.35Å; L418-R422 PolarHBondContact O-N 2.74Å |
| 419 | A | 88.2 | Confident | 86.5 | Confident | 43 Ų | 43 | 78.4 Ų | 78.4 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R415 E416 K423 | R415-A419 VanDerWaalsContact O-CB 3.29Å; R415-A419 WeakPolarHBondContact O-CB 3.24Å; R415-A419 PolarHBondContact O-N 2.8Å; E416-A419 PolarHBondContact O-N 3.24Å; A419-K423 WeakPolarHBondContact O-CG 3.43Å; A419-K423 PolarHBondContact O-N 2.7Å |
| 420 | Q | 89.9 | Confident | 85.7 | Confident | 96 Ų | 96 | 81.1 Ų | 81.1 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.4 | -47.4 | 176 | -175.9 | 59.4 | 20.3 | 0 | 0 | 111.7 | E416 E417 L418 R422 K423 E424 | E416-Q420 WeakPolarHBondContact O-CB 3.06Å; E416-Q420 PolarHBondContact O-N 3.27Å; E417-Q420 WeakPolarHBondContact O-CB 3.49Å; E417-Q420 PolarHBondContact O-N 3.15Å; L418-Q420 VanDerWaalsContact C-N 3.29Å; L418-Q420 PolarHBondContact O-N 3.13Å; Q420-R422 VanDerWaalsContact C-N 3.32Å; Q420-R422 PolarHBondContact O-N 3.45Å; Q420-K423 PolarHBondContact O-N 3.43Å; Q420-E424 WeakPolarHBondContact CG-OE1 3.19Å; Q420-E424 PolarHBondContact NE2-OE1 3.06Å; Q420-E424 WeakPolarHBondContact O-CG 2.93Å; Q420-E424 PolarHBondContact O-N 3.05Å |
| 421 | I | 85.6 | Confident | 85.1 | Confident | 19 Ų | 19 | 83.3 Ų | 83.3 | 10% | 0.097 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.6 | -45 | 176.2 | -67.4 | 166.1 | 0 | 0 | 0 | 110.8 | T219 G220 R221 E417 L418 K423 E424 E425 | T219-I421 WeakPolarHBondContact O-CD1 3.27Å; G220-I421 WeakPolarHBondContact O-CG2 3.17Å; R221-I421 HydrophobicContact CG-CG2 4.44Å; E417-I421 WeakPolarHBondContact O-CG1 3.07Å; E417-I421 PolarHBondContact O-N 3.42Å; L418-I421 PolarHBondContact O-N 3.02Å; I421-K423 VanDerWaalsContact C-N 3.34Å; I421-K423 PolarHBondContact O-N 3.31Å; I421-E424 PolarHBondContact O-N 3.4Å; I421-E425 HydrophobicContact CG2-CG 4.34Å; I421-E425 WeakPolarHBondContact O-CG 3.5Å; I421-E425 PolarHBondContact O-N 3.1Å |
| 422 | R | 83.8 | Confident | 84.2 | Confident | 163 Ų | 163 | 88 Ų | 88 | 62% | 0.615 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61 | -40.7 | 177.3 | -74.4 | 173.3 | -176.4 | 171.6 | -0.5 | 112.3 | L418 Q420 K426 | L418-R422 WeakPolarHBondContact O-CB 3.5Å; L418-R422 VanDerWaalsContact O-CG 3.25Å; L418-R422 WeakPolarHBondContact O-CG 3.35Å; L418-R422 PolarHBondContact O-N 2.74Å; Q420-R422 VanDerWaalsContact C-N 3.32Å; Q420-R422 PolarHBondContact O-N 3.45Å; R422-K426 VanDerWaalsContact O-CB 3.27Å; R422-K426 WeakPolarHBondContact O-CB 3.43Å; R422-K426 PolarHBondContact O-N 3.23Å |
| 423 | K | 86.6 | Confident | 83.3 | Confident | 142 Ų | 142 | 88.1 Ų | 88.1 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.8 | -47.5 | 175.6 | -75.6 | 174.3 | -176.7 | 176.9 | 0 | 111.3 | A419 Q420 I421 K426 E427 | A419-K423 WeakPolarHBondContact O-CG 3.43Å; A419-K423 PolarHBondContact O-N 2.7Å; Q420-K423 PolarHBondContact O-N 3.43Å; I421-K423 VanDerWaalsContact C-N 3.34Å; I421-K423 PolarHBondContact O-N 3.31Å; K423-K426 PolarHBondContact O-N 2.77Å; K423-E427 PolarHBondContact O-N 3.26Å |
| 424 | E | 85.4 | Confident | 82.7 | Confident | 63 Ų | 63 | 88.8 Ų | 88.8 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 179.1 | -72.3 | 174.8 | -164.9 | 0 | 0 | 112.2 | Q420 I421 E427 K428 | Q420-E424 WeakPolarHBondContact CG-OE1 3.19Å; Q420-E424 PolarHBondContact NE2-OE1 3.06Å; Q420-E424 WeakPolarHBondContact O-CG 2.93Å; Q420-E424 PolarHBondContact O-N 3.05Å; I421-E424 PolarHBondContact O-N 3.4Å; E424-E427 PolarHBondContact O-N 3.1Å; E424-K428 WeakPolarHBondContact O-CG 3.42Å; E424-K428 PolarHBondContact O-N 3Å |
| 425 | E | 80 | Confident | 82.2 | Confident | 36 Ų | 36 | 89 Ų | 89 | 17% | 0.168 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 177.9 | -70.2 | -60.9 | 120.6 | 0 | 0 | 111.7 | S222 I421 E427 K428 K429 | S222-E425 WeakPolarHBondContact CB-OE2 3.21Å; S222-E425 PolarHBondContact OG-OE2 3.26Å; I421-E425 HydrophobicContact CG2-CG 4.34Å; I421-E425 WeakPolarHBondContact O-CG 3.5Å; I421-E425 PolarHBondContact O-N 3.1Å; E425-E427 VanDerWaalsContact C-N 3.31Å; E425-E427 PolarHBondContact O-N 2.9Å; E425-K428 PolarHBondContact O-N 3.22Å; E425-K428 WeakPolarHBondContact OE1-CD 3.4Å; E425-K428 IonicContact OE1-NZ 2.73Å; E425-K428 PolarHBondContact OE1-NZ 3.47Å; E425-K429 WeakPolarHBondContact O-CB 3.37Å; E425-K429 PolarHBondContact O-N 2.81Å |
| 426 | K | 80.9 | Confident | 81.6 | Confident | 167 Ų | 167 | 85.7 Ų | 85.7 | 73% | 0.726 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.4 | -40.7 | 173.8 | -172.6 | 175.1 | -177.9 | 176.3 | 0 | 111.5 | R422 K423 K429 R430 | R422-K426 VanDerWaalsContact O-CB 3.27Å; R422-K426 WeakPolarHBondContact O-CB 3.43Å; R422-K426 PolarHBondContact O-N 3.23Å; K423-K426 PolarHBondContact O-N 2.77Å; K426-K429 PolarHBondContact O-N 3.3Å; K426-R430 PolarHBondContact O-N 2.86Å |
| 427 | E | 83 | Confident | 81 | Confident | 76 Ų | 76 | 88.4 Ų | 88.4 | 36% | 0.355 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.1 | -45 | 177.5 | -169.5 | 176.4 | 177.6 | 0 | 0 | 112.2 | K423 E424 E425 K429 R430 R431 | K423-E427 PolarHBondContact O-N 3.26Å; E424-E427 PolarHBondContact O-N 3.1Å; E425-E427 VanDerWaalsContact C-N 3.31Å; E425-E427 PolarHBondContact O-N 2.9Å; E427-K429 PolarHBondContact O-N 3.27Å; E427-R430 WeakPolarHBondContact O-CB 3.35Å; E427-R430 PolarHBondContact O-N 2.86Å; E427-R430 VanDerWaalsContact O-N 3.16Å; E427-R430 IonicContact OE1-NH2 3.93Å; E427-R431 WeakPolarHBondContact O-CG 3.44Å; E427-R431 PolarHBondContact O-N 3.32Å; E427-R431 IonicContact OE1-CZ 3.83Å; E427-R431 IonicContact OE1-NE 3.89Å; E427-R431 PolarHBondContact OE1-NE 2.89Å; E427-R431 IonicContact OE1-NH2 2.71Å; E427-R431 PolarHBondContact OE1-NH2 2.96Å |
| 428 | K | 76.9 | Confident | 80.7 | Confident | 88 Ų | 88 | 89.9 Ų | 89.9 | 38% | 0.383 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -56 | -40.9 | 172.8 | -72.5 | 173.4 | -163.6 | 164 | 0 | 111.2 | E424 E425 R431 R432 | E424-K428 WeakPolarHBondContact O-CG 3.42Å; E424-K428 PolarHBondContact O-N 3Å; E425-K428 PolarHBondContact O-N 3.22Å; E425-K428 WeakPolarHBondContact OE1-CD 3.4Å; E425-K428 IonicContact OE1-NZ 2.73Å; E425-K428 PolarHBondContact OE1-NZ 3.47Å; K428-R431 PolarHBondContact O-N 3.29Å; K428-R432 WeakPolarHBondContact O-CG 3.4Å; K428-R432 PolarHBondContact O-N 2.93Å |
| 429 | K | 72.6 | Confident | 80.4 | Confident | 77 Ų | 77 | 89 Ų | 89 | 34% | 0.335 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 176.8 | -173.1 | 176.9 | -178.3 | 178.3 | 0 | 111.6 | E425 K426 E427 R431 R432 L433 | E425-K429 WeakPolarHBondContact O-CB 3.37Å; E425-K429 PolarHBondContact O-N 2.81Å; K426-K429 PolarHBondContact O-N 3.3Å; E427-K429 PolarHBondContact O-N 3.27Å; K429-R431 PolarHBondContact O-N 2.95Å; K429-R432 PolarHBondContact O-N 3.33Å; K429-L433 HydrophobicContact CG-CD1 4.3Å; K429-L433 PolarHBondContact O-N 2.74Å; K429-L433 VanDerWaalsContact O-N 3.11Å |
| 430 | R | 77.9 | Confident | 80.1 | Confident | 138 Ų | 138 | 93.1 Ų | 93.1 | 52% | 0.521 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.6 | -49.6 | 175.7 | -175.3 | -177.1 | 63.9 | 164.5 | -1.2 | 111.3 | K426 E427 R432 L433 E434 | K426-R430 PolarHBondContact O-N 2.86Å; E427-R430 WeakPolarHBondContact O-CB 3.35Å; E427-R430 PolarHBondContact O-N 2.86Å; E427-R430 VanDerWaalsContact O-N 3.16Å; E427-R430 IonicContact OE1-NH2 3.93Å; R430-R432 VanDerWaalsContact C-N 3.34Å; R430-R432 PolarHBondContact O-N 3.42Å; R430-L433 PolarHBondContact O-N 3.17Å; R430-L433 VanDerWaalsContact O-N 3.14Å; R430-E434 WeakPolarHBondContact CG-OE1 3.07Å; R430-E434 IonicContact NE-OE1 2.75Å; R430-E434 PolarHBondContact O-N 3.42Å |
| 431 | R | 78.3 | Confident | 79.6 | Confident | 97 Ų | 97 | 92 Ų | 92 | 37% | 0.366 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 178.4 | -67 | -179.5 | -170.4 | -165.3 | 2.2 | 112.3 | E427 K428 K429 L433 E434 N435 | E427-R431 WeakPolarHBondContact O-CG 3.44Å; E427-R431 PolarHBondContact O-N 3.32Å; E427-R431 IonicContact OE1-CZ 3.83Å; E427-R431 IonicContact OE1-NE 3.89Å; E427-R431 PolarHBondContact OE1-NE 2.89Å; E427-R431 IonicContact OE1-NH2 2.71Å; E427-R431 PolarHBondContact OE1-NH2 2.96Å; K428-R431 PolarHBondContact O-N 3.29Å; K429-R431 PolarHBondContact O-N 2.95Å; R431-L433 VanDerWaalsContact C-N 3.33Å; R431-L433 PolarHBondContact O-N 3Å; R431-E434 PolarHBondContact O-N 3.07Å; R431-N435 WeakPolarHBondContact O-CB 3.17Å; R431-N435 VanDerWaalsContact O-CG 3.25Å; R431-N435 PolarHBondContact O-N 3.09Å; R431-N435 PolarHBondContact O-ND2 2.78Å |
| 432 | R | 73.6 | Confident | 79.3 | Confident | 106 Ų | 106 | 96.5 Ų | 96.5 | 40% | 0.4 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 175.7 | -75.1 | 176.2 | -172.6 | 169.8 | 8 | 112.1 | K428 K429 R430 N435 I436 | K428-R432 WeakPolarHBondContact O-CG 3.4Å; K428-R432 PolarHBondContact O-N 2.93Å; K429-R432 PolarHBondContact O-N 3.33Å; R430-R432 VanDerWaalsContact C-N 3.34Å; R430-R432 PolarHBondContact O-N 3.42Å; R432-N435 PolarHBondContact O-N 3.16Å; R432-I436 VanDerWaalsContact O-CG1 3.3Å; R432-I436 WeakPolarHBondContact O-CG1 3.17Å; R432-I436 PolarHBondContact O-N 3.39Å |
| 433 | L | 74.2 | Confident | 79.1 | Confident | 57 Ų | 57 | 92 Ų | 92 | 30% | 0.298 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.9 | -41.8 | 179.5 | -72.8 | 160.1 | 0 | 0 | 0 | 112.1 | P207 K429 R430 R431 N435 I436 R437 | P207-L433 HydrophobicContact CG-CD1 3.48Å; P207-L433 VanDerWaalsContact CG-CD1 3.48Å; P207-L433 HydrophobicContact CG-CD2 4.34Å; K429-L433 HydrophobicContact CG-CD1 4.3Å; K429-L433 PolarHBondContact O-N 2.74Å; K429-L433 VanDerWaalsContact O-N 3.11Å; R430-L433 PolarHBondContact O-N 3.17Å; R430-L433 VanDerWaalsContact O-N 3.14Å; R431-L433 VanDerWaalsContact C-N 3.33Å; R431-L433 PolarHBondContact O-N 3Å; L433-N435 VanDerWaalsContact C-N 3.32Å; L433-N435 PolarHBondContact O-N 3.17Å; L433-I436 PolarHBondContact O-N 2.75Å; L433-R437 WeakPolarHBondContact O-CB 3.3Å; L433-R437 WeakPolarHBondContact O-CG 3.48Å; L433-R437 PolarHBondContact O-N 2.91Å |
| 434 | E | 80.1 | Confident | 78.6 | Confident | 94 Ų | 94 | 90.2 Ų | 90.2 | 44% | 0.439 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 174 | -72.9 | 166.8 | -175.8 | 0 | 0 | 110.9 | R430 R431 I436 R437 F438 | R430-E434 WeakPolarHBondContact CG-OE1 3.07Å; R430-E434 IonicContact NE-OE1 2.75Å; R430-E434 PolarHBondContact O-N 3.42Å; R431-E434 PolarHBondContact O-N 3.07Å; E434-I436 PolarHBondContact O-N 3.43Å; E434-R437 PolarHBondContact O-N 3.36Å; E434-F438 WeakPolarHBondContact O-CB 3.37Å; E434-F438 PolarHBondContact O-N 3.34Å |
| 435 | N | 76.3 | Confident | 78.3 | Confident | 48 Ų | 48 | 90.7 Ų | 90.7 | 26% | 0.257 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 175.9 | -70.2 | -13.2 | 0 | 0 | 0 | 112.7 | R431 R432 L433 F438 L439 L453 | R431-N435 WeakPolarHBondContact O-CB 3.17Å; R431-N435 VanDerWaalsContact O-CG 3.25Å; R431-N435 PolarHBondContact O-N 3.09Å; R431-N435 PolarHBondContact O-ND2 2.78Å; R432-N435 PolarHBondContact O-N 3.16Å; L433-N435 VanDerWaalsContact C-N 3.32Å; L433-N435 PolarHBondContact O-N 3.17Å; N435-F438 PolarHBondContact O-N 2.9Å; N435-L439 WeakPolarHBondContact O-CG 3.36Å; N435-L439 PolarHBondContact O-N 3.13Å; N435-L453 HydrophobicContact CB-CD1 4.1Å; N435-L453 HydrophobicContact CB-CD2 4.01Å |
| 436 | I | 76.7 | Confident | 77.8 | Confident | 33 Ų | 33 | 91.5 Ų | 91.5 | 17% | 0.169 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 175.6 | -68.9 | 167.1 | 0 | 0 | 0 | 110.6 | R432 L433 E434 F438 L439 K440 Q450 L453 | R432-I436 VanDerWaalsContact O-CG1 3.3Å; R432-I436 WeakPolarHBondContact O-CG1 3.17Å; R432-I436 PolarHBondContact O-N 3.39Å; L433-I436 PolarHBondContact O-N 2.75Å; E434-I436 PolarHBondContact O-N 3.43Å; I436-F438 VanDerWaalsContact C-N 3.33Å; I436-F438 PolarHBondContact O-N 3.07Å; I436-L439 PolarHBondContact O-N 2.91Å; I436-K440 WeakPolarHBondContact O-CB 3.42Å; I436-K440 PolarHBondContact O-N 3.43Å; I436-Q450 HydrophobicContact CD1-CG 4.11Å; I436-Q450 HydrophobicContact CG1-CG 4.48Å; I436-L453 HydrophobicContact CD1-CD1 4.41Å; I436-L453 HydrophobicContact CG1-CD1 3.5Å |
| 437 | R | 79.1 | Confident | 77.2 | Confident | 182 Ų | 182 | 89.6 Ų | 89.6 | 69% | 0.687 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.9 | -42.2 | 176.6 | -74.8 | 179 | -179.2 | -177.3 | 0.5 | 111.3 | L433 E434 K440 G441 | L433-R437 WeakPolarHBondContact O-CB 3.3Å; L433-R437 WeakPolarHBondContact O-CG 3.48Å; L433-R437 PolarHBondContact O-N 2.91Å; E434-R437 PolarHBondContact O-N 3.36Å; R437-K440 PolarHBondContact O-N 2.83Å; R437-G441 PolarHBondContact O-N 3.19Å |
| 438 | F | 80.8 | Confident | 76.6 | Confident | 134 Ų | 134 | 87.3 Ų | 87.3 | 59% | 0.588 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60.8 | -49.9 | 176 | 179.7 | -100.1 | 0 | 0 | 0 | 111.8 | E434 N435 I436 K440 G441 M442 | E434-F438 WeakPolarHBondContact O-CB 3.37Å; E434-F438 PolarHBondContact O-N 3.34Å; N435-F438 PolarHBondContact O-N 2.9Å; I436-F438 VanDerWaalsContact C-N 3.33Å; I436-F438 PolarHBondContact O-N 3.07Å; F438-K440 VanDerWaalsContact C-N 3.3Å; F438-K440 PolarHBondContact O-N 3.46Å; F438-G441 CarbonylContact O-C 3.53Å; F438-G441 WeakPolarHBondContact O-CA 3.33Å; F438-G441 PolarHBondContact O-N 3.4Å; F438-M442 HydrophobicContact CD1-SD 3.92Å; F438-M442 HydrophobicContact CE1-CG 4.22Å; F438-M442 HydrophobicContact CE1-SD 3.32Å; F438-M442 WeakPolarHBondContact CE1-SD 3.38Å; F438-M442 HydrophobicContact CZ-CG 4.4Å; F438-M442 HydrophobicContact CZ-SD 3.85Å; F438-M442 PolarHBondContact O-N 3.44Å |
| 439 | L | 79.8 | Confident | 76.4 | Confident | 9 Ų | 9 | 83.1 Ų | 83.1 | 5% | 0.047 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.6 | -36.6 | 177 | -71.1 | 170.2 | 0 | 0 | 0 | 112.3 | N435 I436 G441 M442 G443 Y444 A449 L453 | N435-L439 WeakPolarHBondContact O-CG 3.36Å; N435-L439 PolarHBondContact O-N 3.13Å; I436-L439 PolarHBondContact O-N 2.91Å; L439-G441 VanDerWaalsContact C-N 3.33Å; L439-M442 HydrophobicContact CD2-SD 4.36Å; L439-M442 WeakPolarHBondContact O-CB 3.41Å; L439-M442 PolarHBondContact O-N 2.91Å; L439-G443 PolarHBondContact O-N 3.32Å; L439-Y444 HydrophobicContact CB-CD2 4.37Å; L439-Y444 HydrophobicContact CD2-CD2 4.09Å; L439-Y444 HydrophobicContact CD2-CE2 4.29Å; L439-Y444 WeakPolarHBondContact O-CB 3.37Å; L439-Y444 WeakPolarHBondContact O-CD2 3.5Å; L439-Y444 PolarHBondContact O-N 2.93Å; L439-Y444 VanDerWaalsContact O-N 3.12Å; L439-A449 HydrophobicContact CB-CB 3.5Å; L439-A449 HydrophobicContact CD1-CB 3.79Å; L439-A449 WeakPolarHBondContact CD1-O 3.48Å; L439-A449 HydrophobicContact CG-CB 4.29Å; L439-L453 HydrophobicContact CD1-CD1 4.08Å; L439-L453 HydrophobicContact CD1-CD2 4.44Å; L439-L453 HydrophobicContact CD1-CG 3.93Å |
| 440 | K | 80.6 | Confident | 76 | Confident | 131 Ų | 131 | 80.9 Ų | 80.9 | 57% | 0.57 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.5 | -40.4 | 172.4 | -170.4 | -178.7 | 178.5 | -176.4 | 0 | 111.6 | I436 R437 F438 M442 G443 T446 | I436-K440 WeakPolarHBondContact O-CB 3.42Å; I436-K440 PolarHBondContact O-N 3.43Å; R437-K440 PolarHBondContact O-N 2.83Å; F438-K440 VanDerWaalsContact C-N 3.3Å; F438-K440 PolarHBondContact O-N 3.46Å; K440-M442 PolarHBondContact O-N 3.38Å; K440-G443 PolarHBondContact O-N 3.33Å; K440-T446 HydrophobicContact CD-CG2 4.23Å |
| 441 | G | 80.7 | Confident | 75.5 | Confident | 71 Ų | 71 | 80 Ų | 80 | 73% | 0.732 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.3 | -29.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R437 F438 L439 G443 | R437-G441 PolarHBondContact O-N 3.19Å; F438-G441 CarbonylContact O-C 3.53Å; F438-G441 WeakPolarHBondContact O-CA 3.33Å; F438-G441 PolarHBondContact O-N 3.4Å; L439-G441 VanDerWaalsContact C-N 3.33Å; G441-G443 PolarHBondContact O-N 2.99Å |
| 442 | M | 79.4 | Confident | 75.1 | Confident | 114 Ų | 114 | 77.6 Ų | 77.6 | 56% | 0.562 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 0.5 | 172.2 | -64.8 | 179.8 | 71.3 | 0 | 0 | 114 | F438 L439 K440 Y444 | F438-M442 HydrophobicContact CD1-SD 3.92Å; F438-M442 HydrophobicContact CE1-CG 4.22Å; F438-M442 HydrophobicContact CE1-SD 3.32Å; F438-M442 WeakPolarHBondContact CE1-SD 3.38Å; F438-M442 HydrophobicContact CZ-CG 4.4Å; F438-M442 HydrophobicContact CZ-SD 3.85Å; F438-M442 PolarHBondContact O-N 3.44Å; L439-M442 HydrophobicContact CD2-SD 4.36Å; L439-M442 WeakPolarHBondContact O-CB 3.41Å; L439-M442 PolarHBondContact O-N 2.91Å; K440-M442 PolarHBondContact O-N 3.38Å; M442-Y444 HydrophobicContact CB-CD2 3.97Å; M442-Y444 HydrophobicContact CB-CE2 4.09Å; M442-Y444 HydrophobicContact CE-CE2 4.44Å |
| 443 | G | 79 | Confident | 74.9 | Confident | 68 Ų | 68 | 73.2 Ų | 73.2 | 70% | 0.701 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | 3.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | L439 K440 G441 | L439-G443 PolarHBondContact O-N 3.32Å; K440-G443 PolarHBondContact O-N 3.33Å; G441-G443 PolarHBondContact O-N 2.99Å |
| 444 | Y | 75.9 | Confident | 74.4 | Confident | 105 Ų | 105 | 76 Ų | 76 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | trans | -72.5 | 140.8 | 172.9 | -65.9 | -82.6 | 0 | 0 | 0 | 110.9 | L439 M442 A448 I452 | L439-Y444 HydrophobicContact CB-CD2 4.37Å; L439-Y444 HydrophobicContact CD2-CD2 4.09Å; L439-Y444 HydrophobicContact CD2-CE2 4.29Å; L439-Y444 WeakPolarHBondContact O-CB 3.37Å; L439-Y444 WeakPolarHBondContact O-CD2 3.5Å; L439-Y444 PolarHBondContact O-N 2.93Å; L439-Y444 VanDerWaalsContact O-N 3.12Å; M442-Y444 HydrophobicContact CB-CD2 3.97Å; M442-Y444 HydrophobicContact CB-CE2 4.09Å; M442-Y444 HydrophobicContact CE-CE2 4.44Å; Y444-A448 HydrophobicContact CD1-CB 4.42Å; Y444-I452 HydrophobicContact CD1-CD1 3.78Å; Y444-I452 HydrophobicContact CE1-CD1 3.79Å; Y444-I452 HydrophobicContact CG-CD1 4.26Å | ||
| 445 | S | 78.3 | Confident | 73.4 | Confident | 73 Ų | 73 | 75.5 Ų | 75.5 | 51% | 0.51 | 41% | 0.408 | S | S | . | . | trans | -63.2 | 152.5 | 167.3 | 71.6 | 0 | 0 | 0 | 0 | 110 | H447 A448 A449 | S445-H447 PolarHBondContact O-N 2.8Å; S445-A448 PolarHBondContact O-N 2.83Å; S445-A448 WeakPolarHBondContact OG-CB 3.5Å; S445-A448 PolarHBondContact OG-N 3.13Å; S445-A449 PolarHBondContact O-N 2.79Å | ||
| 446 | T | 69.1 | Low | 72.5 | Confident | 54 Ų | 54 | 77.5 Ų | 77.5 | 33% | 0.331 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -54.6 | -39.7 | 180 | 46.3 | 0 | 0 | 0 | 0 | 112.3 | K440 Q450 | K440-T446 HydrophobicContact CD-CG2 4.23Å; T446-Q450 VanDerWaalsContact O-CG 3.29Å; T446-Q450 WeakPolarHBondContact O-CG 3.16Å; T446-Q450 PolarHBondContact O-N 3.35Å; T446-Q450 VanDerWaalsContact O-N 3.17Å |
| 447 | H | 69.3 | Low | 71.3 | Confident | 127 Ų | 127 | 78.8 Ų | 78.8 | 59% | 0.588 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.6 | -42.8 | 176.3 | -173.2 | -82.6 | 0 | 0 | 0 | 112.4 | S445 Q450 Q451 | S445-H447 PolarHBondContact O-N 2.8Å; H447-Q450 PolarHBondContact O-N 2.73Å; H447-Q451 PolarHBondContact O-N 2.95Å |
| 448 | A | 70.2 | Confident | 69.9 | Low | 28 Ų | 28 | 77.8 Ų | 77.8 | 23% | 0.231 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y444 S445 Q450 Q451 I452 | Y444-A448 HydrophobicContact CD1-CB 4.42Å; S445-A448 PolarHBondContact O-N 2.83Å; S445-A448 WeakPolarHBondContact OG-CB 3.5Å; S445-A448 PolarHBondContact OG-N 3.13Å; A448-Q450 VanDerWaalsContact C-N 3.29Å; A448-Q450 PolarHBondContact O-N 3.5Å; A448-Q451 PolarHBondContact O-N 3.34Å; A448-I452 WeakPolarHBondContact O-CD1 3.33Å; A448-I452 VanDerWaalsContact O-CG1 3.24Å; A448-I452 WeakPolarHBondContact O-CG1 3.25Å; A448-I452 PolarHBondContact O-N 3.37Å |
| 449 | A | 72 | Confident | 68.4 | Low | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.3 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L439 S445 L453 | L439-A449 HydrophobicContact CB-CB 3.5Å; L439-A449 HydrophobicContact CD1-CB 3.79Å; L439-A449 WeakPolarHBondContact CD1-O 3.48Å; L439-A449 HydrophobicContact CG-CB 4.29Å; S445-A449 PolarHBondContact O-N 2.79Å; A449-L453 WeakPolarHBondContact O-CG 3.29Å; A449-L453 PolarHBondContact O-N 3.43Å; A449-L453 VanDerWaalsContact O-N 3.13Å |
| 450 | Q | 65.8 | Low | 66.9 | Low | 30 Ų | 30 | 77.5 Ų | 77.5 | 14% | 0.14 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 176.3 | -74 | 173 | -6.2 | 0 | 0 | 112.4 | I436 T446 H447 A448 I452 L453 L454 | I436-Q450 HydrophobicContact CD1-CG 4.11Å; I436-Q450 HydrophobicContact CG1-CG 4.48Å; T446-Q450 VanDerWaalsContact O-CG 3.29Å; T446-Q450 WeakPolarHBondContact O-CG 3.16Å; T446-Q450 PolarHBondContact O-N 3.35Å; T446-Q450 VanDerWaalsContact O-N 3.17Å; H447-Q450 PolarHBondContact O-N 2.73Å; A448-Q450 VanDerWaalsContact C-N 3.29Å; A448-Q450 PolarHBondContact O-N 3.5Å; Q450-I452 VanDerWaalsContact C-N 3.3Å; Q450-I452 PolarHBondContact O-N 3.27Å; Q450-L453 PolarHBondContact O-N 2.84Å; Q450-L453 VanDerWaalsContact O-N 3.17Å; Q450-L454 VanDerWaalsContact O-CD1 3.23Å; Q450-L454 WeakPolarHBondContact O-CD1 3.4Å; Q450-L454 PolarHBondContact O-N 3.44Å |
| 451 | Q | 67.3 | Low | 64.9 | Low | 118 Ų | 118 | 79.3 Ų | 79.3 | 55% | 0.551 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 179 | -162.3 | 170.4 | 3.2 | 0 | 0 | 111.1 | H447 A448 L453 L454 S455 | H447-Q451 PolarHBondContact O-N 2.95Å; A448-Q451 PolarHBondContact O-N 3.34Å; Q451-L453 PolarHBondContact O-N 3.3Å; Q451-L454 PolarHBondContact O-N 2.84Å; Q451-S455 WeakPolarHBondContact O-CB 3.18Å; Q451-S455 PolarHBondContact O-N 2.97Å; Q451-S455 PolarHBondContact O-OG 3.45Å; Q451-S455 VanDerWaalsContact O-OG 3.11Å |
| 452 | I | 69.3 | Low | 63 | Low | 48 Ų | 48 | 81.8 Ų | 81.8 | 25% | 0.246 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 173.6 | -67 | 163.4 | 0 | 0 | 0 | 111.2 | Y444 A448 Q450 L454 S455 N456 | Y444-I452 HydrophobicContact CD1-CD1 3.78Å; Y444-I452 HydrophobicContact CE1-CD1 3.79Å; Y444-I452 HydrophobicContact CG-CD1 4.26Å; A448-I452 WeakPolarHBondContact O-CD1 3.33Å; A448-I452 VanDerWaalsContact O-CG1 3.24Å; A448-I452 WeakPolarHBondContact O-CG1 3.25Å; A448-I452 PolarHBondContact O-N 3.37Å; Q450-I452 VanDerWaalsContact C-N 3.3Å; Q450-I452 PolarHBondContact O-N 3.27Å; I452-L454 VanDerWaalsContact C-N 3.35Å; I452-L454 PolarHBondContact O-N 3.18Å; I452-S455 PolarHBondContact O-N 3.5Å; I452-N456 PolarHBondContact O-N 3.38Å |
| 453 | L | 68.3 | Low | 61.2 | Low | 14 Ų | 14 | 83.9 Ų | 83.9 | 7% | 0.073 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -69.4 | -28.8 | 178.5 | -73.3 | 168.2 | 0 | 0 | 0 | 113.6 | N435 I436 L439 A449 Q450 Q451 W460 | N435-L453 HydrophobicContact CB-CD1 4.1Å; N435-L453 HydrophobicContact CB-CD2 4.01Å; I436-L453 HydrophobicContact CD1-CD1 4.41Å; I436-L453 HydrophobicContact CG1-CD1 3.5Å; L439-L453 HydrophobicContact CD1-CD1 4.08Å; L439-L453 HydrophobicContact CD1-CD2 4.44Å; L439-L453 HydrophobicContact CD1-CG 3.93Å; A449-L453 WeakPolarHBondContact O-CG 3.29Å; A449-L453 PolarHBondContact O-N 3.43Å; A449-L453 VanDerWaalsContact O-N 3.13Å; Q450-L453 PolarHBondContact O-N 2.84Å; Q450-L453 VanDerWaalsContact O-N 3.17Å; Q451-L453 PolarHBondContact O-N 3.3Å; L453-W460 PolarHBondContact O-NE1 3.42Å |
| 454 | L | 64.9 | Low | 59.1 | Low | 115 Ų | 115 | 86.4 Ų | 86.4 | 60% | 0.602 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -73.1 | -40.8 | 173 | -98 | 83.9 | 0 | 0 | 0 | 111.7 | Q450 Q451 I452 | Q450-L454 VanDerWaalsContact O-CD1 3.23Å; Q450-L454 WeakPolarHBondContact O-CD1 3.4Å; Q450-L454 PolarHBondContact O-N 3.44Å; Q451-L454 PolarHBondContact O-N 2.84Å; I452-L454 VanDerWaalsContact C-N 3.35Å; I452-L454 PolarHBondContact O-N 3.18Å |
| 455 | S | 59.3 | Low | 57.1 | Low | 83 Ų | 83 | 86.6 Ų | 86.6 | 58% | 0.58 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -75.4 | -26.9 | -177.5 | -64 | 0 | 0 | 0 | 0 | 113.6 | Q451 I452 P457 | Q451-S455 WeakPolarHBondContact O-CB 3.18Å; Q451-S455 PolarHBondContact O-N 2.97Å; Q451-S455 PolarHBondContact O-OG 3.45Å; Q451-S455 VanDerWaalsContact O-OG 3.11Å; I452-S455 PolarHBondContact O-N 3.5Å; S455-P457 WeakPolarHBondContact O-CD 3.32Å |
| 456 | N | 57.9 | Low | 54.9 | Low | 91 Ų | 91 | 89.2 Ų | 89.2 | 49% | 0.487 | 47% | 0.466 | S | S | . | . | trans | -123.3 | 85.6 | -178.7 | -72.9 | -25 | 0 | 0 | 0 | 112.7 | I452 Q458 M459 | I452-N456 PolarHBondContact O-N 3.38Å; N456-Q458 PolarHBondContact O-N 2.94Å; N456-M459 HydrophobicContact CB-CB 4.47Å; N456-M459 HydrophobicContact CB-CG 4.22Å; N456-M459 WeakPolarHBondContact O-CB 3.45Å; N456-M459 PolarHBondContact O-N 3.47Å | ||
| 457 | P | 51.4 | Low | 53.4 | Low | 59 Ų | 59 | 93 Ų | 93 | 38% | 0.383 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -60.2 | -24.9 | 177.3 | -24.8 | 34.6 | 0 | 0 | 0 | 115 | S455 M459 W460 | S455-P457 WeakPolarHBondContact O-CD 3.32Å; P457-M459 VanDerWaalsContact C-N 3.3Å; P457-M459 PolarHBondContact O-N 3.34Å; P457-W460 HydrophobicContact CB-CD2 4.48Å; P457-W460 HydrophobicContact CB-CE3 4.32Å; P457-W460 HydrophobicContact CB-CH2 3.5Å; P457-W460 HydrophobicContact CB-CZ2 3.8Å; P457-W460 HydrophobicContact CB-CZ3 3.87Å; P457-W460 HydrophobicContact CG-CH2 4.03Å; P457-W460 HydrophobicContact CG-CZ2 4.2Å; P457-W460 WeakPolarHBondContact O-CB 3.48Å; P457-W460 VanDerWaalsContact O-CD2 3.25Å; P457-W460 VanDerWaalsContact O-CG 3.24Å; P457-W460 PolarHBondContact O-N 2.89Å |
| 458 | Q | 48 | Very low | 51.6 | Low | 161 Ų | 161 | 94.5 Ų | 94.5 | 75% | 0.752 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -73.1 | -22.8 | -178.7 | -66.9 | -178 | -8.8 | 0 | 0 | 112.7 | N456 W460 W461 | N456-Q458 PolarHBondContact O-N 2.94Å; Q458-W460 PolarHBondContact O-N 3.01Å; Q458-W460 VanDerWaalsContact O-N 3.17Å; Q458-W461 PolarHBondContact O-N 2.94Å; Q458-W461 VanDerWaalsContact O-N 3.15Å |
| 459 | M | 50 | Low | 50 | Low | 66 Ų | 66 | 99.5 Ų | 99.5 | 33% | 0.325 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -65.6 | -13 | 172.5 | -85.3 | -84.7 | -73.8 | 0 | 0 | 113.2 | N456 P457 W461 L462 | N456-M459 HydrophobicContact CB-CB 4.47Å; N456-M459 HydrophobicContact CB-CG 4.22Å; N456-M459 WeakPolarHBondContact O-CB 3.45Å; N456-M459 PolarHBondContact O-N 3.47Å; P457-M459 VanDerWaalsContact C-N 3.3Å; P457-M459 PolarHBondContact O-N 3.34Å; M459-W461 PolarHBondContact O-N 3.17Å; M459-L462 HydrophobicContact CG-CD1 4.29Å; M459-L462 HydrophobicContact SD-CD1 3.8Å |
| 460 | W | 47.3 | Very low | 48.2 | Very low | 72 Ų | 72 | 106.2 Ų | 106.2 | 27% | 0.273 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -74.4 | -13.5 | 175.4 | -50.5 | -15.8 | 0 | 0 | 0 | 112.9 | L453 P457 Q458 | L453-W460 PolarHBondContact O-NE1 3.42Å; P457-W460 HydrophobicContact CB-CD2 4.48Å; P457-W460 HydrophobicContact CB-CE3 4.32Å; P457-W460 HydrophobicContact CB-CH2 3.5Å; P457-W460 HydrophobicContact CB-CZ2 3.8Å; P457-W460 HydrophobicContact CB-CZ3 3.87Å; P457-W460 HydrophobicContact CG-CH2 4.03Å; P457-W460 HydrophobicContact CG-CZ2 4.2Å; P457-W460 WeakPolarHBondContact O-CB 3.48Å; P457-W460 VanDerWaalsContact O-CD2 3.25Å; P457-W460 VanDerWaalsContact O-CG 3.24Å; P457-W460 PolarHBondContact O-N 2.89Å; Q458-W460 PolarHBondContact O-N 3.01Å; Q458-W460 VanDerWaalsContact O-N 3.17Å |
| 461 | W | 39.8 | Very low | 47 | Very low | 168 Ų | 168 | 112.1 Ų | 112.1 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -110.1 | 0.9 | -174.1 | -55.5 | 96.6 | 0 | 0 | 0 | 113.6 | Q458 M459 N463 D464 | Q458-W461 PolarHBondContact O-N 2.94Å; Q458-W461 VanDerWaalsContact O-N 3.15Å; M459-W461 PolarHBondContact O-N 3.17Å; W461-N463 PolarHBondContact O-N 3.17Å; W461-D464 PolarHBondContact O-N 3.49Å |
| 462 | L | 41.5 | Very low | 45.5 | Very low | 123 Ų | 123 | 116.9 Ų | 116.9 | 64% | 0.644 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 2.5 | -173.6 | -110.6 | 105.2 | 0 | 0 | 0 | 115.1 | M459 | M459-L462 HydrophobicContact CG-CD1 4.29Å; M459-L462 HydrophobicContact SD-CD1 3.8Å |
| 463 | N | 41.3 | Very low | 44.4 | Very low | 158 Ų | 158 | 124 Ų | 124 | 85% | 0.845 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | 11.3 | 177.2 | -131.2 | 31.5 | 0 | 0 | 0 | 114.4 | W461 S465 | W461-N463 PolarHBondContact O-N 3.17Å; N463-S465 VanDerWaalsContact C-N 3.26Å; N463-S465 PolarHBondContact O-N 3.3Å |
| 464 | D | 34.1 | Very low | 43.4 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 65% | 0.652 | 67% | 0.673 | S | S | * | * | trans | -90 | 15.7 | 175.4 | -136.6 | 12.3 | 0 | 0 | 0 | 113.2 | W461 | W461-D464 PolarHBondContact O-N 3.49Š| ||
| 465 | S | 34.1 | Very low | 42.9 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -98.4 | 86.5 | 168 | -58.1 | 0 | 0 | 0 | 0 | 109 | N463 | N463-S465 VanDerWaalsContact C-N 3.26Å; N463-S465 PolarHBondContact O-N 3.3Å |
| 466 | N | 32.3 | Very low | 43.3 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 68% | 0.684 | 65% | 0.652 | S | S | * | * | trans | 51.2 | 124.4 | 165.7 | -81.6 | 0.1 | 0 | 0 | 0 | 119.2 | E468 | N466-E468 PolarHBondContact O-N 3.2Š| ||
| 467 | P | 36.8 | Very low | 44.1 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 88% | 0.877 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -81.9 | 44.8 | 166.4 | 38.4 | -34 | 0 | 0 | 0 | 111.2 | ||
| 468 | E | 33.1 | Very low | 45.3 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 74% | 0.738 | 66% | 0.659 | S | S | * | * | trans | -140.4 | 65.6 | -178.2 | -78.2 | -88.5 | 164 | 0 | 0 | 108.3 | N466 | N466-E468 PolarHBondContact O-N 3.2Š| ||
| 469 | T | 35.6 | Very low | 46.9 | Very low | 132 Ų | 132 | 128 Ų | 128 | 81% | 0.81 | 66% | 0.656 | S | S | * | * | trans | -162.5 | 91.5 | 143.1 | 20.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 470 | D | 33.9 | Very low | 48.4 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 75% | 0.754 | 65% | 0.651 | S | S | * | * | trans | -49.6 | 148.3 | 165.8 | -138.3 | -20.4 | 0 | 0 | 0 | 112.1 | R472 | D470-R472 PolarHBondContact O-N 2.97Š| ||
| 471 | N | 39.9 | Very low | 50.1 | Low | 154 Ų | 154 | 123.7 Ų | 123.7 | 82% | 0.824 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -20.4 | 98.7 | 167 | -72.4 | -55.9 | 0 | 0 | 0 | 115.9 | ||
| 472 | R | 37.5 | Very low | 52.1 | Low | 218 Ų | 218 | 119.8 Ų | 119.8 | 82% | 0.823 | 63% | 0.632 | S | S | * | * | trans | -140.2 | 129.8 | 151.2 | -71.4 | -165.2 | 175.9 | -153.5 | -1.9 | 110.2 | D470 E474 | D470-R472 PolarHBondContact O-N 2.97Å; R472-E474 HydrophobicContact CB-CG 4.39Å; R472-E474 PolarHBondContact O-N 3.03Å | ||
| 473 | Q | 45.9 | Very low | 54.1 | Low | 199 Ų | 199 | 121.6 Ų | 121.6 | 93% | 0.93 | 63% | 0.63 | S | S | * | * | trans | -58.2 | 88 | 157.7 | -74.6 | 162.6 | -34.6 | 0 | 0 | 107.3 | S475 | Q473-S475 PolarHBondContact O-N 3.37Š| ||
| 474 | E | 46.2 | Very low | 55.9 | Low | 163 Ų | 163 | 114 Ų | 114 | 76% | 0.762 | 59% | 0.59 | S | S | * | * | trans | -76.4 | 115.4 | 173.3 | -77.5 | -171.9 | 160.3 | 0 | 0 | 108.4 | R472 | R472-E474 HydrophobicContact CB-CG 4.39Å; R472-E474 PolarHBondContact O-N 3.03Å | ||
| 475 | S | 55.8 | Low | 58.4 | Low | 92 Ų | 92 | 111 Ų | 111 | 64% | 0.643 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 137.3 | 163.3 | 46.4 | 0 | 0 | 0 | 0 | 109.1 | Q473 S477 | Q473-S475 PolarHBondContact O-N 3.37Å; S475-S477 PolarHBondContact O-N 2.96Å |
| 476 | P | 66.7 | Low | 60.9 | Low | 16 Ų | 16 | 115.9 Ų | 115.9 | 10% | 0.104 | 58% | 0.579 | C | S | . | * | P | Polyproline II helix | trans | -56.6 | 133 | -178.5 | 23.5 | -32.8 | 0 | 0 | 0 | 110.6 | Q478 I481 E495 L498 | P476-Q478 PolarHBondContact O-N 3.03Å; P476-I481 HydrophobicContact CB-CG1 4.44Å; P476-I481 HydrophobicContact CG-CD1 4.21Å; P476-I481 HydrophobicContact CG-CG1 4.48Å; P476-E495 HydrophobicContact CG-CG 3.65Å; P476-L498 HydrophobicContact CB-CB 3.67Å; P476-L498 HydrophobicContact CB-CD1 4.29Å; P476-L498 HydrophobicContact CG-CB 4.23Å |
| 477 | S | 75.2 | Confident | 63.1 | Low | 62 Ų | 62 | 115.3 Ų | 115.3 | 43% | 0.434 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 133.5 | -179.2 | 59 | 0 | 0 | 0 | 0 | 110.9 | S475 E479 N480 I481 | S475-S477 PolarHBondContact O-N 2.96Å; S477-E479 PolarHBondContact O-N 3.11Å; S477-N480 WeakPolarHBondContact O-CB 3.2Å; S477-N480 PolarHBondContact O-N 3.13Å; S477-N480 PolarHBondContact OG-ND2 2.95Å; S477-I481 PolarHBondContact O-N 3.45Å |
| 478 | Q | 77.2 | Confident | 65.2 | Low | 121 Ų | 121 | 112.1 Ų | 112.1 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -51.9 | -36.2 | -175.8 | -170.5 | 61.2 | 39.6 | 0 | 0 | 113.3 | P476 N480 I481 D482 | P476-Q478 PolarHBondContact O-N 3.03Å; Q478-N480 VanDerWaalsContact C-N 3.27Å; Q478-N480 PolarHBondContact O-N 3.38Å; Q478-I481 WeakPolarHBondContact O-CB 3.5Å; Q478-I481 PolarHBondContact O-N 3.23Å; Q478-I481 VanDerWaalsContact O-N 3.14Å; Q478-D482 PolarHBondContact NE2-OD1 2.96Å; Q478-D482 VanDerWaalsContact O-CG 3.23Å; Q478-D482 PolarHBondContact O-N 2.91Å |
| 479 | E | 80.9 | Confident | 67.6 | Low | 151 Ų | 151 | 106.1 Ų | 106.1 | 71% | 0.706 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.5 | -34.3 | 177 | -170.9 | 178.8 | 177.6 | 0 | 0 | 113.5 | S477 R483 | S477-E479 PolarHBondContact O-N 3.11Å; E479-R483 WeakPolarHBondContact O-CB 3.3Å; E479-R483 PolarHBondContact O-N 3.32Å |
| 480 | N | 81.7 | Confident | 70 | Confident | 40 Ų | 40 | 104.4 Ų | 104.4 | 21% | 0.214 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -76.7 | -33.5 | 178.6 | -75.2 | -23.9 | 0 | 0 | 0 | 111.6 | S477 Q478 L484 L498 V505 | S477-N480 WeakPolarHBondContact O-CB 3.2Å; S477-N480 PolarHBondContact O-N 3.13Å; S477-N480 PolarHBondContact OG-ND2 2.95Å; Q478-N480 VanDerWaalsContact C-N 3.27Å; Q478-N480 PolarHBondContact O-N 3.38Å; N480-L484 PolarHBondContact O-N 2.73Å; N480-L498 HydrophobicContact CB-CD1 3.86Å; N480-L498 HydrophobicContact CB-CD2 4.41Å; N480-V505 HydrophobicContact CB-CG2 3.64Å; N480-V505 VanDerWaalsContact CG-CG2 3.46Å; N480-V505 VanDerWaalsContact OD1-CG2 3.31Å; N480-V505 WeakPolarHBondContact OD1-CG2 3.18Å |
| 481 | I | 82.4 | Confident | 72.2 | Confident | 9 Ų | 9 | 99.9 Ų | 99.9 | 5% | 0.046 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -66 | -49.6 | 173.9 | -56.2 | 172.8 | 0 | 0 | 0 | 108.8 | P476 S477 Q478 R483 L484 V485 A494 E495 L498 | P476-I481 HydrophobicContact CB-CG1 4.44Å; P476-I481 HydrophobicContact CG-CD1 4.21Å; P476-I481 HydrophobicContact CG-CG1 4.48Å; S477-I481 PolarHBondContact O-N 3.45Å; Q478-I481 WeakPolarHBondContact O-CB 3.5Å; Q478-I481 PolarHBondContact O-N 3.23Å; Q478-I481 VanDerWaalsContact O-N 3.14Å; I481-R483 PolarHBondContact O-N 3.4Å; I481-L484 PolarHBondContact O-N 3.14Å; I481-L484 VanDerWaalsContact O-N 3.07Å; I481-V485 HydrophobicContact CG2-CG2 4.28Å; I481-V485 WeakPolarHBondContact O-CG2 3.49Å; I481-V485 PolarHBondContact O-N 3.49Å; I481-A494 HydrophobicContact CG2-CB 4.36Å; I481-E495 HydrophobicContact CD1-CB 4.19Å; I481-E495 HydrophobicContact CD1-CG 3.88Å; I481-L498 HydrophobicContact CB-CD1 4.43Å; I481-L498 HydrophobicContact CG1-CD1 3.84Å |
| 482 | D | 82.7 | Confident | 74.1 | Confident | 86 Ų | 86 | 98.7 Ų | 98.7 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.3 | -33.4 | -179.8 | -64.5 | -15.4 | 0 | 0 | 0 | 111.9 | Q478 V485 Y486 | Q478-D482 PolarHBondContact NE2-OD1 2.96Å; Q478-D482 VanDerWaalsContact O-CG 3.23Å; Q478-D482 PolarHBondContact O-N 2.91Å; D482-V485 PolarHBondContact O-N 3.16Å; D482-Y486 WeakPolarHBondContact O-CB 3.44Å; D482-Y486 PolarHBondContact O-N 3.3Å |
| 483 | R | 81.9 | Confident | 76.3 | Confident | 160 Ų | 160 | 90 Ų | 90 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68.5 | -37.7 | 177.1 | -159.5 | 165.9 | -172 | 166.8 | 2.2 | 113.1 | E479 I481 M487 V505 | E479-R483 WeakPolarHBondContact O-CB 3.3Å; E479-R483 PolarHBondContact O-N 3.32Å; I481-R483 PolarHBondContact O-N 3.4Å; R483-M487 VanDerWaalsContact O-CG 3.31Å; R483-M487 WeakPolarHBondContact O-CG 3.36Å; R483-M487 PolarHBondContact O-N 3.14Å; R483-V505 HydrophobicContact CG-CG1 4.44Å |
| 484 | L | 81 | Confident | 78 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -74.5 | -35.2 | 173.3 | -70.7 | 179.2 | 0 | 0 | 0 | 111.8 | N480 I481 Y486 M487 G488 F489 A494 L498 V505 A508 A509 | N480-L484 PolarHBondContact O-N 2.73Å; I481-L484 PolarHBondContact O-N 3.14Å; I481-L484 VanDerWaalsContact O-N 3.07Å; L484-Y486 VanDerWaalsContact C-N 3.33Å; L484-M487 HydrophobicContact CD2-SD 4.24Å; L484-M487 WeakPolarHBondContact O-CB 3.29Å; L484-M487 PolarHBondContact O-N 3.02Å; L484-M487 VanDerWaalsContact O-N 3.12Å; L484-G488 PolarHBondContact O-N 3.47Å; L484-F489 HydrophobicContact CB-CD2 4.37Å; L484-F489 HydrophobicContact CD2-CD2 4.27Å; L484-F489 WeakPolarHBondContact O-CD2 3.42Å; L484-F489 PolarHBondContact O-N 3.07Å; L484-A494 HydrophobicContact CB-CB 3.63Å; L484-A494 HydrophobicContact CD1-CB 3.9Å; L484-A494 HydrophobicContact CG-CB 4.43Å; L484-L498 HydrophobicContact CD1-CD1 3.76Å; L484-L498 HydrophobicContact CD1-CD2 3.89Å; L484-L498 HydrophobicContact CD1-CG 3.6Å; L484-V505 HydrophobicContact CD2-CG1 3.91Å; L484-V505 HydrophobicContact CG-CG1 4.15Å; L484-A508 HydrophobicContact CD1-CB 3.92Å; L484-A509 HydrophobicContact CD2-CB 3.59Å |
| 485 | V | 86.1 | Confident | 79.7 | Confident | 59 Ų | 59 | 75.5 Ų | 75.5 | 36% | 0.358 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 173.3 | 173.7 | 0 | 0 | 0 | 0 | 111 | I481 D482 M487 G488 F489 A491 | I481-V485 HydrophobicContact CG2-CG2 4.28Å; I481-V485 WeakPolarHBondContact O-CG2 3.49Å; I481-V485 PolarHBondContact O-N 3.49Å; D482-V485 PolarHBondContact O-N 3.16Å; V485-M487 PolarHBondContact O-N 3.38Å; V485-G488 WeakPolarHBondContact O-CA 3.45Å; V485-G488 PolarHBondContact O-N 3.49Å; V485-F489 WeakPolarHBondContact CA-O 2.95Å; V485-A491 HydrophobicContact CG2-CB 3.76Å |
| 486 | Y | 85.6 | Confident | 80.7 | Confident | 209 Ų | 209 | 72.8 Ų | 72.8 | 82% | 0.82 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61 | -31 | 173.4 | -174.9 | -96.2 | 0 | 0 | 0 | 112.7 | D482 L484 G488 | D482-Y486 WeakPolarHBondContact O-CB 3.44Å; D482-Y486 PolarHBondContact O-N 3.3Å; L484-Y486 VanDerWaalsContact C-N 3.33Å; Y486-G488 PolarHBondContact O-N 3.26Å |
| 487 | M | 79.8 | Confident | 81.2 | Confident | 116 Ų | 116 | 72 Ų | 72 | 57% | 0.571 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -1.5 | 174 | -67.2 | 174.5 | 118.4 | 0 | 0 | 113.5 | R483 L484 V485 F489 A509 | R483-M487 VanDerWaalsContact O-CG 3.31Å; R483-M487 WeakPolarHBondContact O-CG 3.36Å; R483-M487 PolarHBondContact O-N 3.14Å; L484-M487 HydrophobicContact CD2-SD 4.24Å; L484-M487 WeakPolarHBondContact O-CB 3.29Å; L484-M487 PolarHBondContact O-N 3.02Å; L484-M487 VanDerWaalsContact O-N 3.12Å; V485-M487 PolarHBondContact O-N 3.38Å; M487-F489 HydrophobicContact CB-CD2 3.95Å; M487-F489 HydrophobicContact CB-CE2 3.91Å; M487-A509 HydrophobicContact CE-CB 4.47Å; M487-A509 HydrophobicContact SD-CB 4.04Å |
| 488 | G | 80.3 | Confident | 81.4 | Confident | 68 Ų | 68 | 69.1 Ų | 69.1 | 70% | 0.701 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.4 | 10.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L484 V485 Y486 | L484-G488 PolarHBondContact O-N 3.47Å; V485-G488 WeakPolarHBondContact O-CA 3.45Å; V485-G488 PolarHBondContact O-N 3.49Å; Y486-G488 PolarHBondContact O-N 3.26Å |
| 489 | F | 83.4 | Confident | 81.5 | Confident | 32 Ų | 32 | 70.7 Ų | 70.7 | 14% | 0.14 | 36% | 0.36 | C | S | . | . | trans | -88.1 | 148.6 | 175.8 | -58.3 | -66.9 | 0 | 0 | 0 | 111.7 | L484 V485 M487 A509 L512 A513 | L484-F489 HydrophobicContact CB-CD2 4.37Å; L484-F489 HydrophobicContact CD2-CD2 4.27Å; L484-F489 WeakPolarHBondContact O-CD2 3.42Å; L484-F489 PolarHBondContact O-N 3.07Å; V485-F489 WeakPolarHBondContact CA-O 2.95Å; M487-F489 HydrophobicContact CB-CD2 3.95Å; M487-F489 HydrophobicContact CB-CE2 3.91Å; F489-A509 HydrophobicContact CE2-CB 4.41Å; F489-L512 HydrophobicContact CB-CD1 4.27Å; F489-L512 HydrophobicContact CD1-CB 3.73Å; F489-L512 HydrophobicContact CD1-CD1 4.21Å; F489-L512 HydrophobicContact CD2-CD1 4.34Å; F489-L512 HydrophobicContact CE1-CB 3.51Å; F489-L512 HydrophobicContact CE2-CB 4.36Å; F489-L512 HydrophobicContact CG-CB 4.26Å; F489-L512 HydrophobicContact CG-CD1 4.01Å; F489-L512 HydrophobicContact CZ-CB 3.85Å; F489-A513 HydrophobicContact CZ-CB 4.08Å | ||
| 490 | D | 85.3 | Confident | 81.3 | Confident | 96 Ų | 96 | 66.6 Ų | 66.6 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | trans | -65.4 | 140.5 | 176.1 | -176.4 | -90.4 | 0 | 0 | 0 | 111.2 | L492 V493 A494 | D490-L492 VanDerWaalsContact C-N 3.29Å; D490-L492 PolarHBondContact O-N 2.85Å; D490-L492 WeakPolarHBondContact OD1-CB 3.48Å; D490-L492 PolarHBondContact OD1-N 3.18Å; D490-V493 HydrophobicContact CB-CB 4.36Å; D490-V493 HydrophobicContact CB-CG2 4.07Å; D490-V493 PolarHBondContact O-N 3.11Å; D490-V493 VanDerWaalsContact O-N 3.17Å; D490-A494 WeakPolarHBondContact O-CB 3.45Å; D490-A494 PolarHBondContact O-N 2.85Å | ||
| 491 | A | 81.6 | Confident | 81.1 | Confident | 46 Ų | 46 | 67.2 Ų | 67.2 | 38% | 0.38 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.4 | -36.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113 | V485 E495 | V485-A491 HydrophobicContact CG2-CB 3.76Å; A491-E495 WeakPolarHBondContact O-CB 3.23Å; A491-E495 PolarHBondContact O-N 3.2Å |
| 492 | L | 79.4 | Confident | 80.6 | Confident | 129 Ų | 129 | 78 Ų | 78 | 68% | 0.675 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -72.7 | -36.2 | -180 | -62.1 | 173.5 | 0 | 0 | 0 | 111.2 | D490 A496 | D490-L492 VanDerWaalsContact C-N 3.29Å; D490-L492 PolarHBondContact O-N 2.85Å; D490-L492 WeakPolarHBondContact OD1-CB 3.48Å; D490-L492 PolarHBondContact OD1-N 3.18Å; L492-A496 WeakPolarHBondContact O-CB 3.44Å; L492-A496 PolarHBondContact O-N 2.9Å |
| 493 | V | 82.5 | Confident | 80.1 | Confident | 37 Ų | 37 | 75.2 Ų | 75.2 | 22% | 0.224 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -74.6 | -38 | 177.8 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | D490 A496 A497 L512 G517 L519 | D490-V493 HydrophobicContact CB-CB 4.36Å; D490-V493 HydrophobicContact CB-CG2 4.07Å; D490-V493 PolarHBondContact O-N 3.11Å; D490-V493 VanDerWaalsContact O-N 3.17Å; V493-A496 PolarHBondContact O-N 3.4Å; V493-A497 VanDerWaalsContact O-CB 3.26Å; V493-A497 WeakPolarHBondContact O-CB 3.36Å; V493-A497 PolarHBondContact O-N 3.15Å; V493-L512 HydrophobicContact CG1-CD2 3.5Å; V493-L512 VanDerWaalsContact CG1-CD2 3.5Å; V493-G517 WeakPolarHBondContact CG1-O 3.49Å; V493-L519 HydrophobicContact CG1-CD1 4.47Å; V493-L519 HydrophobicContact CG1-CG 4.25Å |
| 494 | A | 82.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I481 L484 D490 A497 L498 | I481-A494 HydrophobicContact CG2-CB 4.36Å; L484-A494 HydrophobicContact CB-CB 3.63Å; L484-A494 HydrophobicContact CD1-CB 3.9Å; L484-A494 HydrophobicContact CG-CB 4.43Å; D490-A494 WeakPolarHBondContact O-CB 3.45Å; D490-A494 PolarHBondContact O-N 2.85Å; A494-A497 PolarHBondContact O-N 3.5Å; A494-L498 WeakPolarHBondContact O-CB 3.49Å; A494-L498 VanDerWaalsContact O-CG 3.24Å; A494-L498 WeakPolarHBondContact O-CG 3.42Å; A494-L498 PolarHBondContact O-N 2.72Å |
| 495 | E | 81.4 | Confident | 79.9 | Confident | 57 Ų | 57 | 72.2 Ų | 72.2 | 27% | 0.266 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | 176.3 | -167.7 | -170.7 | 164.1 | 0 | 0 | 111.5 | P476 I481 A491 A497 L498 R499 | P476-E495 HydrophobicContact CG-CG 3.65Å; I481-E495 HydrophobicContact CD1-CB 4.19Å; I481-E495 HydrophobicContact CD1-CG 3.88Å; A491-E495 WeakPolarHBondContact O-CB 3.23Å; A491-E495 PolarHBondContact O-N 3.2Å; E495-A497 VanDerWaalsContact C-N 3.34Å; E495-A497 PolarHBondContact O-N 3.48Å; E495-L498 PolarHBondContact O-N 3.35Å; E495-R499 WeakPolarHBondContact O-CB 3.28Å; E495-R499 PolarHBondContact O-N 2.88Å; E495-R499 IonicContact OE1-CZ 3.48Å; E495-R499 IonicContact OE1-NH2 2.79Å; E495-R499 PolarHBondContact OE1-NH2 3.26Å |
| 496 | A | 77 | Confident | 79.5 | Confident | 35 Ų | 35 | 76 Ų | 76 | 29% | 0.289 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L492 V493 R499 V500 L519 | L492-A496 WeakPolarHBondContact O-CB 3.44Å; L492-A496 PolarHBondContact O-N 2.9Å; V493-A496 PolarHBondContact O-N 3.4Å; A496-R499 PolarHBondContact O-N 3.33Å; A496-V500 WeakPolarHBondContact O-CG2 3.37Å; A496-V500 PolarHBondContact O-N 2.9Å; A496-L519 HydrophobicContact CB-CD1 3.55Å |
| 497 | A | 77.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V493 A494 E495 R499 V500 F501 A508 L512 L519 | V493-A497 VanDerWaalsContact O-CB 3.26Å; V493-A497 WeakPolarHBondContact O-CB 3.36Å; V493-A497 PolarHBondContact O-N 3.15Å; A494-A497 PolarHBondContact O-N 3.5Å; E495-A497 VanDerWaalsContact C-N 3.34Å; E495-A497 PolarHBondContact O-N 3.48Å; A497-R499 VanDerWaalsContact C-N 3.27Å; A497-R499 PolarHBondContact O-N 3.49Å; A497-V500 PolarHBondContact O-N 3.13Å; A497-F501 WeakPolarHBondContact O-CD2 3.3Å; A497-F501 PolarHBondContact O-N 3.47Å; A497-A508 HydrophobicContact CB-CB 4.03Å; A497-L512 HydrophobicContact CB-CD1 3.76Å; A497-L512 HydrophobicContact CB-CD2 4.22Å; A497-L512 HydrophobicContact CB-CG 4.05Å; A497-L519 HydrophobicContact CB-CD1 4.33Å; A497-L519 HydrophobicContact CB-CD2 3.81Å; A497-L519 HydrophobicContact CB-CG 4.4Å |
| 498 | L | 79.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.9 | -30.7 | 176.8 | -71.6 | 169.5 | 0 | 0 | 0 | 112.4 | P476 N480 I481 L484 A494 E495 F501 R502 G503 V505 A508 | P476-L498 HydrophobicContact CB-CB 3.67Å; P476-L498 HydrophobicContact CB-CD1 4.29Å; P476-L498 HydrophobicContact CG-CB 4.23Å; N480-L498 HydrophobicContact CB-CD1 3.86Å; N480-L498 HydrophobicContact CB-CD2 4.41Å; I481-L498 HydrophobicContact CB-CD1 4.43Å; I481-L498 HydrophobicContact CG1-CD1 3.84Å; L484-L498 HydrophobicContact CD1-CD1 3.76Å; L484-L498 HydrophobicContact CD1-CD2 3.89Å; L484-L498 HydrophobicContact CD1-CG 3.6Å; A494-L498 WeakPolarHBondContact O-CB 3.49Å; A494-L498 VanDerWaalsContact O-CG 3.24Å; A494-L498 WeakPolarHBondContact O-CG 3.42Å; A494-L498 PolarHBondContact O-N 2.72Å; E495-L498 PolarHBondContact O-N 3.35Å; L498-F501 CarbonylContact O-C 3.59Å; L498-R502 CarbonylContact O-C 3.54Å; L498-R502 WeakPolarHBondContact O-CA 3.42Å; L498-R502 PolarHBondContact O-N 3.42Å; L498-G503 PolarHBondContact O-N 3.06Å; L498-V505 HydrophobicContact CD2-CG2 4.03Å; L498-A508 HydrophobicContact CD2-CB 4.03Å; L498-A508 HydrophobicContact CG-CB 4.48Å |
| 499 | R | 78.7 | Confident | 79.2 | Confident | 153 Ų | 153 | 61.8 Ų | 61.8 | 58% | 0.577 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68.5 | -40.3 | 173.5 | -163 | 178.2 | -66.5 | 158.3 | -0.4 | 111.7 | E495 A496 A497 | E495-R499 WeakPolarHBondContact O-CB 3.28Å; E495-R499 PolarHBondContact O-N 2.88Å; E495-R499 IonicContact OE1-CZ 3.48Å; E495-R499 IonicContact OE1-NH2 2.79Å; E495-R499 PolarHBondContact OE1-NH2 3.26Å; A496-R499 PolarHBondContact O-N 3.33Å; A497-R499 VanDerWaalsContact C-N 3.27Å; A497-R499 PolarHBondContact O-N 3.49Å |
| 500 | V | 77.3 | Confident | 79 | Confident | 65 Ų | 65 | 65.6 Ų | 65.6 | 39% | 0.394 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 174.3 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | A496 A497 R502 L523 | A496-V500 WeakPolarHBondContact O-CG2 3.37Å; A496-V500 PolarHBondContact O-N 2.9Å; A497-V500 PolarHBondContact O-N 3.13Å; V500-R502 VanDerWaalsContact C-N 3.32Å; V500-R502 PolarHBondContact O-N 2.99Å; V500-L523 HydrophobicContact CG1-CD1 4.03Å; V500-L523 HydrophobicContact CG1-CD2 4.31Å |
| 501 | F | 77.3 | Confident | 78.6 | Confident | 53 Ų | 53 | 62.7 Ų | 62.7 | 23% | 0.232 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 16.5 | -176.7 | -62.1 | -66.2 | 0 | 0 | 0 | 113.8 | A497 L498 G503 N504 L507 A508 T511 | A497-F501 WeakPolarHBondContact O-CD2 3.3Å; A497-F501 PolarHBondContact O-N 3.47Å; L498-F501 CarbonylContact O-C 3.59Å; F501-G503 VanDerWaalsContact C-N 3.32Å; F501-G503 PolarHBondContact O-N 3.44Å; F501-N504 HydrophobicContact CB-CB 4.46Å; F501-N504 WeakPolarHBondContact O-CB 3.33Å; F501-N504 PolarHBondContact O-N 3.17Å; F501-L507 HydrophobicContact CD1-CB 4.29Å; F501-L507 HydrophobicContact CG-CB 4.39Å; F501-A508 HydrophobicContact CD2-CB 3.94Å; F501-T511 HydrophobicContact CE2-CG2 4.16Å; F501-T511 HydrophobicContact CZ-CG2 3.96Å |
| 502 | R | 71.8 | Confident | 78.7 | Confident | 237 Ų | 237 | 60.5 Ų | 60.5 | 89% | 0.894 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46 | 49.6 | 175.8 | -58.7 | -174.6 | -179.3 | -169.6 | -0.9 | 113.6 | L498 V500 N504 | L498-R502 CarbonylContact O-C 3.54Å; L498-R502 WeakPolarHBondContact O-CA 3.42Å; L498-R502 PolarHBondContact O-N 3.42Å; V500-R502 VanDerWaalsContact C-N 3.32Å; V500-R502 PolarHBondContact O-N 2.99Å; R502-N504 PolarHBondContact O-N 3.23Å |
| 503 | G | 71.3 | Confident | 78.7 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 27% | 0.268 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 1.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L498 F501 V505 | L498-G503 PolarHBondContact O-N 3.06Å; F501-G503 VanDerWaalsContact C-N 3.32Å; F501-G503 PolarHBondContact O-N 3.44Å; G503-V505 PolarHBondContact O-N 3.01Å; G503-V505 VanDerWaalsContact O-N 3.08Å |
| 504 | N | 77.9 | Confident | 78.5 | Confident | 72 Ų | 72 | 63.6 Ų | 63.6 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | trans | -78.7 | 94.3 | 177.3 | -167.6 | -36.8 | 0 | 0 | 0 | 111.8 | F501 R502 Q506 L507 A508 | F501-N504 HydrophobicContact CB-CB 4.46Å; F501-N504 WeakPolarHBondContact O-CB 3.33Å; F501-N504 PolarHBondContact O-N 3.17Å; R502-N504 PolarHBondContact O-N 3.23Å; N504-Q506 PolarHBondContact O-N 3.14Å; N504-Q506 PolarHBondContact OD1-N 2.9Å; N504-L507 HydrophobicContact CB-CB 4.39Å; N504-L507 HydrophobicContact CB-CD1 4.33Å; N504-L507 WeakPolarHBondContact ND2-CD1 3.46Å; N504-L507 PolarHBondContact O-N 3.23Å; N504-L507 PolarHBondContact OD1-N 3.14Å; N504-L507 VanDerWaalsContact OD1-N 3.16Å; N504-A508 WeakPolarHBondContact O-CB 3.37Å; N504-A508 PolarHBondContact O-N 3.47Å | ||
| 505 | V | 81.9 | Confident | 78.2 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 15% | 0.152 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.5 | -36.7 | -179.3 | -179.2 | 0 | 0 | 0 | 0 | 112.6 | N480 R483 L484 L498 G503 A509 | N480-V505 HydrophobicContact CB-CG2 3.64Å; N480-V505 VanDerWaalsContact CG-CG2 3.46Å; N480-V505 VanDerWaalsContact OD1-CG2 3.31Å; N480-V505 WeakPolarHBondContact OD1-CG2 3.18Å; R483-V505 HydrophobicContact CG-CG1 4.44Å; L484-V505 HydrophobicContact CD2-CG1 3.91Å; L484-V505 HydrophobicContact CG-CG1 4.15Å; L498-V505 HydrophobicContact CD2-CG2 4.03Å; G503-V505 PolarHBondContact O-N 3.01Å; G503-V505 VanDerWaalsContact O-N 3.08Å; V505-A509 VanDerWaalsContact O-CB 3.26Å; V505-A509 WeakPolarHBondContact O-CB 3.45Å; V505-A509 PolarHBondContact O-N 3.3Å |
| 506 | Q | 77.2 | Confident | 77.8 | Confident | 140 Ų | 140 | 67.4 Ų | 67.4 | 65% | 0.654 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -74.8 | -41.5 | -172.7 | -167.6 | 156.8 | -8.4 | 0 | 0 | 112.1 | N504 Q510 | N504-Q506 PolarHBondContact O-N 3.14Å; N504-Q506 PolarHBondContact OD1-N 2.9Å; Q506-Q510 WeakPolarHBondContact O-CB 3.34Å; Q506-Q510 VanDerWaalsContact O-CG 3.26Å; Q506-Q510 WeakPolarHBondContact O-CG 3.38Å; Q506-Q510 PolarHBondContact O-N 3.12Å; Q506-Q510 VanDerWaalsContact O-N 3.13Å |
| 507 | L | 78.3 | Confident | 77.5 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 42% | 0.424 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 172.8 | -71.5 | 173.4 | 0 | 0 | 0 | 111.1 | F501 N504 A509 Q510 T511 | F501-L507 HydrophobicContact CD1-CB 4.29Å; F501-L507 HydrophobicContact CG-CB 4.39Å; N504-L507 HydrophobicContact CB-CB 4.39Å; N504-L507 HydrophobicContact CB-CD1 4.33Å; N504-L507 WeakPolarHBondContact ND2-CD1 3.46Å; N504-L507 PolarHBondContact O-N 3.23Å; N504-L507 PolarHBondContact OD1-N 3.14Å; N504-L507 VanDerWaalsContact OD1-N 3.16Å; L507-A509 PolarHBondContact O-N 2.9Å; L507-Q510 PolarHBondContact O-N 3.29Å; L507-T511 PolarHBondContact O-N 2.87Å; L507-T511 PolarHBondContact O-OG1 3.04Å; L507-T511 VanDerWaalsContact O-OG1 3.1Å |
| 508 | A | 80.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L484 A497 L498 F501 N504 Q510 T511 L512 | L484-A508 HydrophobicContact CD1-CB 3.92Å; A497-A508 HydrophobicContact CB-CB 4.03Å; L498-A508 HydrophobicContact CD2-CB 4.03Å; L498-A508 HydrophobicContact CG-CB 4.48Å; F501-A508 HydrophobicContact CD2-CB 3.94Å; N504-A508 WeakPolarHBondContact O-CB 3.37Å; N504-A508 PolarHBondContact O-N 3.47Å; A508-Q510 PolarHBondContact O-N 2.98Å; A508-T511 PolarHBondContact O-N 3.48Å; A508-L512 WeakPolarHBondContact O-CB 3.36Å; A508-L512 VanDerWaalsContact O-CG 3.23Å; A508-L512 WeakPolarHBondContact O-CG 3.38Å; A508-L512 PolarHBondContact O-N 2.9Å |
| 509 | A | 80.3 | Confident | 76.8 | Confident | 12 Ų | 12 | 72.8 Ų | 72.8 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L484 M487 F489 V505 L507 A513 | L484-A509 HydrophobicContact CD2-CB 3.59Å; M487-A509 HydrophobicContact CE-CB 4.47Å; M487-A509 HydrophobicContact SD-CB 4.04Å; F489-A509 HydrophobicContact CE2-CB 4.41Å; V505-A509 VanDerWaalsContact O-CB 3.26Å; V505-A509 WeakPolarHBondContact O-CB 3.45Å; V505-A509 PolarHBondContact O-N 3.3Å; L507-A509 PolarHBondContact O-N 2.9Å; A509-A513 WeakPolarHBondContact O-CB 3.37Å; A509-A513 PolarHBondContact O-N 3.16Å |
| 510 | Q | 79.6 | Confident | 76.3 | Confident | 113 Ų | 113 | 67.3 Ų | 67.3 | 53% | 0.528 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 179.6 | -75.9 | 175.8 | 2.8 | 0 | 0 | 111.8 | Q506 L507 A508 H514 | Q506-Q510 WeakPolarHBondContact O-CB 3.34Å; Q506-Q510 VanDerWaalsContact O-CG 3.26Å; Q506-Q510 WeakPolarHBondContact O-CG 3.38Å; Q506-Q510 PolarHBondContact O-N 3.12Å; Q506-Q510 VanDerWaalsContact O-N 3.13Å; L507-Q510 PolarHBondContact O-N 3.29Å; A508-Q510 PolarHBondContact O-N 2.98Å; Q510-H514 WeakPolarHBondContact O-CB 3.39Å; Q510-H514 PolarHBondContact O-N 3.02Å |
| 511 | T | 77.6 | Confident | 75 | Confident | 35 Ų | 35 | 70.6 Ų | 70.6 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.3 | -38.5 | 178.2 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | F501 L507 A508 N515 | F501-T511 HydrophobicContact CE2-CG2 4.16Å; F501-T511 HydrophobicContact CZ-CG2 3.96Å; L507-T511 PolarHBondContact O-N 2.87Å; L507-T511 PolarHBondContact O-OG1 3.04Å; L507-T511 VanDerWaalsContact O-OG1 3.1Å; A508-T511 PolarHBondContact O-N 3.48Å; T511-N515 WeakPolarHBondContact CG2-ND2 3.34Å; T511-N515 WeakPolarHBondContact O-CB 3.36Å; T511-N515 PolarHBondContact O-N 3.01Å; T511-N515 VanDerWaalsContact O-N 3.14Å; T511-N515 PolarHBondContact O-ND2 3.4Å |
| 512 | L | 82 | Confident | 73.6 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69.6 | -40.8 | 175.9 | -70 | 175.7 | 0 | 0 | 0 | 112.2 | F489 V493 A497 A508 H514 N515 G516 G517 L519 | F489-L512 HydrophobicContact CB-CD1 4.27Å; F489-L512 HydrophobicContact CD1-CB 3.73Å; F489-L512 HydrophobicContact CD1-CD1 4.21Å; F489-L512 HydrophobicContact CD2-CD1 4.34Å; F489-L512 HydrophobicContact CE1-CB 3.51Å; F489-L512 HydrophobicContact CE2-CB 4.36Å; F489-L512 HydrophobicContact CG-CB 4.26Å; F489-L512 HydrophobicContact CG-CD1 4.01Å; F489-L512 HydrophobicContact CZ-CB 3.85Å; V493-L512 HydrophobicContact CG1-CD2 3.5Å; V493-L512 VanDerWaalsContact CG1-CD2 3.5Å; A497-L512 HydrophobicContact CB-CD1 3.76Å; A497-L512 HydrophobicContact CB-CD2 4.22Å; A497-L512 HydrophobicContact CB-CG 4.05Å; A508-L512 WeakPolarHBondContact O-CB 3.36Å; A508-L512 VanDerWaalsContact O-CG 3.23Å; A508-L512 WeakPolarHBondContact O-CG 3.38Å; A508-L512 PolarHBondContact O-N 2.9Å; L512-H514 VanDerWaalsContact C-N 3.32Å; L512-H514 PolarHBondContact O-N 3.44Å; L512-N515 CarbonylContact O-C 3.52Å; L512-N515 PolarHBondContact O-N 3.14Å; L512-G516 PolarHBondContact O-N 3.43Å; L512-G517 PolarHBondContact O-N 3.25Å; L512-L519 HydrophobicContact CD2-CD2 4.05Å; L512-L519 HydrophobicContact CD2-CG 4.07Å |
| 513 | A | 80.8 | Confident | 72.7 | Confident | 66 Ų | 66 | 68.7 Ų | 68.7 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F489 A509 N515 | F489-A513 HydrophobicContact CZ-CB 4.08Å; A509-A513 WeakPolarHBondContact O-CB 3.37Å; A509-A513 PolarHBondContact O-N 3.16Å; A513-N515 VanDerWaalsContact C-N 3.34Å |
| 514 | H | 78.7 | Confident | 71.3 | Confident | 164 Ų | 164 | 73.2 Ų | 73.2 | 76% | 0.759 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -68.8 | -33.3 | -179.8 | -164.4 | 69.3 | 0 | 0 | 0 | 112.7 | Q510 L512 | Q510-H514 WeakPolarHBondContact O-CB 3.39Å; Q510-H514 PolarHBondContact O-N 3.02Å; L512-H514 VanDerWaalsContact C-N 3.32Å; L512-H514 PolarHBondContact O-N 3.44Å |
| 515 | N | 74.8 | Confident | 69.3 | Low | 65 Ų | 65 | 77.7 Ų | 77.7 | 35% | 0.348 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 24.1 | -177.4 | -64.3 | -52.6 | 0 | 0 | 0 | 113.4 | T511 L512 A513 G517 S518 | T511-N515 WeakPolarHBondContact CG2-ND2 3.34Å; T511-N515 WeakPolarHBondContact O-CB 3.36Å; T511-N515 PolarHBondContact O-N 3.01Å; T511-N515 VanDerWaalsContact O-N 3.14Å; T511-N515 PolarHBondContact O-ND2 3.4Å; L512-N515 CarbonylContact O-C 3.52Å; L512-N515 PolarHBondContact O-N 3.14Å; A513-N515 VanDerWaalsContact C-N 3.34Å; N515-G517 VanDerWaalsContact C-N 3.3Å; N515-G517 PolarHBondContact O-N 3.48Å; N515-S518 WeakPolarHBondContact CB-O 3.37Å; N515-S518 PolarHBondContact O-N 3.46Å |
| 516 | G | 74.4 | Confident | 67 | Low | 72 Ų | 72 | 81.9 Ų | 81.9 | 74% | 0.742 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 31.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L512 | L512-G516 PolarHBondContact O-N 3.43Š|
| 517 | G | 69.9 | Low | 65.1 | Low | 24 Ų | 24 | 81.1 Ų | 81.1 | 25% | 0.247 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 13.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V493 L512 N515 | V493-G517 WeakPolarHBondContact CG1-O 3.49Å; L512-G517 PolarHBondContact O-N 3.25Å; N515-G517 VanDerWaalsContact C-N 3.3Å; N515-G517 PolarHBondContact O-N 3.48Å |
| 518 | S | 73.2 | Confident | 62.8 | Low | 74 Ų | 74 | 85.3 Ų | 85.3 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -121 | 151.6 | 177.6 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | N515 | N515-S518 WeakPolarHBondContact CB-O 3.37Å; N515-S518 PolarHBondContact O-N 3.46Å |
| 519 | L | 70 | Confident | 60.4 | Low | 51 Ų | 51 | 92.1 Ų | 92.1 | 27% | 0.267 | 54% | 0.543 | S | S | . | . | trans | -82.7 | 139.8 | 172.6 | -75.1 | 164.9 | 0 | 0 | 0 | 110.6 | V493 A496 A497 L512 | V493-L519 HydrophobicContact CG1-CD1 4.47Å; V493-L519 HydrophobicContact CG1-CG 4.25Å; A496-L519 HydrophobicContact CB-CD1 3.55Å; A497-L519 HydrophobicContact CB-CD1 4.33Å; A497-L519 HydrophobicContact CB-CD2 3.81Å; A497-L519 HydrophobicContact CB-CG 4.4Å; L512-L519 HydrophobicContact CD2-CD2 4.05Å; L512-L519 HydrophobicContact CD2-CG 4.07Å | ||
| 520 | P | 66.9 | Low | 57.9 | Low | 39 Ų | 39 | 97.7 Ų | 97.7 | 25% | 0.253 | 58% | 0.581 | S | S | . | * | trans | -65.3 | 140.7 | 178.9 | 20 | -26.2 | 0 | 0 | 0 | 111.7 | E522 L523 | P520-E522 PolarHBondContact O-N 2.99Å; P520-E522 VanDerWaalsContact O-N 3.1Å; P520-L523 HydrophobicContact CG-CD1 3.9Å | ||
| 521 | P | 51.5 | Low | 55.6 | Low | 134 Ų | 134 | 100.4 Ų | 100.4 | 87% | 0.87 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -10 | -174.6 | -19.9 | 32 | 0 | 0 | 0 | 115.8 | ||
| 522 | E | 47.5 | Very low | 53.3 | Low | 185 Ų | 185 | 103.9 Ų | 103.9 | 86% | 0.864 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 5.5 | -171.2 | -67 | 174.9 | 165.7 | 0 | 0 | 113.9 | P520 | P520-E522 PolarHBondContact O-N 2.99Å; P520-E522 VanDerWaalsContact O-N 3.1Å |
| 523 | L | 51.7 | Low | 51.4 | Low | 65 Ų | 65 | 109.6 Ų | 109.6 | 34% | 0.34 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -90.3 | 129.8 | 176.6 | -69.1 | 163.5 | 0 | 0 | 0 | 110.2 | V500 P520 L525 | V500-L523 HydrophobicContact CG1-CD1 4.03Å; V500-L523 HydrophobicContact CG1-CD2 4.31Å; P520-L523 HydrophobicContact CG-CD1 3.9Å; L523-L525 PolarHBondContact O-N 2.86Å |
| 524 | P | 43.2 | Very low | 49 | Very low | 121 Ų | 121 | 112.5 Ų | 112.5 | 79% | 0.786 | 67% | 0.674 | S | S | * | * | trans | -67.9 | 106.4 | -173 | 25.4 | -31.1 | 0 | 0 | 0 | 110.7 | S526 | P524-S526 PolarHBondContact O-N 2.98Š| ||
| 525 | L | 35.5 | Very low | 46.8 | Very low | 165 Ų | 165 | 109.2 Ų | 109.2 | 86% | 0.864 | 68% | 0.676 | S | S | * | * | trans | -77.9 | 105.7 | 158.1 | -71.8 | 163.4 | 0 | 0 | 0 | 106.8 | L523 P527 | L523-L525 PolarHBondContact O-N 2.86Å; L525-P527 WeakPolarHBondContact O-CD 3.49Å | ||
| 526 | S | 33.5 | Very low | 44.5 | Very low | 114 Ų | 114 | 112.9 Ų | 112.9 | 80% | 0.797 | 70% | 0.701 | S | S | * | * | trans | -69.8 | 139.5 | 169.8 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | P524 | P524-S526 PolarHBondContact O-N 2.98Š| ||
| 527 | P | 36.8 | Very low | 42.4 | Very low | 124 Ų | 124 | 114.8 Ų | 114.8 | 81% | 0.805 | 70% | 0.703 | S | S | * | * | trans | -119.3 | 150.8 | 140.2 | 19.7 | -0.6 | 0 | 0 | 0 | 111.3 | L525 | L525-P527 WeakPolarHBondContact O-CD 3.49Š| ||
| 528 | E | 30.8 | Very low | 40.8 | Very low | 168 Ų | 168 | 119.9 Ų | 119.9 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | trans | -78.5 | 164.5 | -171.1 | -60.6 | -163.2 | 145.5 | 0 | 0 | 115.3 | ||||
| 529 | D | 29.6 | Very low | 38.6 | Very low | 144 Ų | 144 | 121.6 Ų | 121.6 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | 63.4 | 113.2 | 151.1 | -75.3 | -12.2 | 0 | 0 | 0 | 121.6 | ||||
| 530 | S | 27.1 | Very low | 36.8 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | -161.1 | 121.6 | 135.9 | -76.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 531 | L | 32.5 | Very low | 35.2 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -64.5 | 139.4 | 175 | -73.5 | 141.2 | 0 | 0 | 0 | 113.5 | ||||
| 532 | S | 29.1 | Very low | 34.6 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | 146.5 | 142.6 | 124.5 | -62.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 533 | P | 41.7 | Very low | 34.2 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -89.6 | 166.1 | 177.3 | 37.1 | -32.4 | 0 | 0 | 0 | 111.9 | ||||
| 534 | P | 30.5 | Very low | 33.3 | Very low | 126 Ų | 126 | 126 Ų | 126 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | -133 | 143.5 | 129.4 | 31.1 | -17 | 0 | 0 | 0 | 113.3 | |||||
| 535 | A | 32.6 | Very low | 33 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -67.9 | 140 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 536 | T | 27.1 | Very low | 33.3 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -139.8 | 124.4 | 151.5 | 38.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 537 | S | 29.3 | Very low | 33.7 | Very low | 112 Ų | 112 | 118.8 Ų | 118.8 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -65.4 | 164.5 | 176.9 | -49.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 538 | P | 36.6 | Very low | 34.3 | Very low | 131 Ų | 131 | 116 Ų | 116 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -83 | 145.8 | -171.1 | 34.4 | -30.9 | 0 | 0 | 0 | 111.1 | ||||
| 539 | S | 27.4 | Very low | 35.6 | Very low | 110 Ų | 110 | 111.8 Ų | 111.8 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -134.6 | 110.4 | 165.7 | -150.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 540 | D | 32.6 | Very low | 37 | Very low | 156 Ų | 156 | 109.4 Ų | 109.4 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | trans | 30.3 | 97.9 | 150.7 | -63.1 | -32.2 | 0 | 0 | 0 | 118.3 | ||||
| 541 | S | 31.9 | Very low | 38.8 | Very low | 123 Ų | 123 | 109.4 Ų | 109.4 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -104.6 | 96.1 | 149 | -53.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 542 | A | 39.3 | Very low | 40.5 | Very low | 107 Ų | 107 | 106.3 Ų | 106.3 | 88% | 0.884 | 70% | 0.704 | S | S | * | * | trans | -61.4 | 132.2 | 164 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 543 | G | 38.7 | Very low | 42.4 | Very low | 65 Ų | 65 | 105.7 Ų | 105.7 | 67% | 0.67 | 69% | 0.69 | S | S | * | * | trans | 122.2 | 77.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 544 | T | 34.8 | Very low | 44.1 | Very low | 116 Ų | 116 | 104.2 Ų | 104.2 | 71% | 0.712 | 67% | 0.673 | S | S | * | * | trans | -166.5 | 55.8 | 147.1 | 38.6 | 0 | 0 | 0 | 0 | 109.9 | S546 | T544-S546 PolarHBondContact O-N 3.17Š| ||
| 545 | S | 36.4 | Very low | 46.2 | Very low | 117 Ų | 117 | 101.1 Ų | 101.1 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 17.5 | 173 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 546 | S | 41.9 | Very low | 48.4 | Very low | 86 Ų | 86 | 102 Ų | 102 | 60% | 0.601 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | -8.1 | 177.7 | 61.2 | 0 | 0 | 0 | 0 | 114.4 | T544 | T544-S546 PolarHBondContact O-N 3.17Š|
| 547 | A | 41.6 | Very low | 50.9 | Low | 45 Ų | 45 | 95.6 Ų | 95.6 | 37% | 0.372 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.1 | -32.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T549 D550 E551 | A547-T549 PolarHBondContact O-N 3.37Å; A547-D550 PolarHBondContact O-N 3.4Å; A547-E551 PolarHBondContact O-N 2.91Å; A547-E551 VanDerWaalsContact O-N 3.15Å |
| 548 | S | 49.8 | Very low | 53.3 | Low | 65 Ų | 65 | 90.4 Ų | 90.4 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.4 | -40.4 | -175 | 61.4 | 0 | 0 | 0 | 0 | 112.7 | D550 D552 | S548-D550 VanDerWaalsContact C-N 3.34Å; S548-D550 PolarHBondContact O-N 3.21Å; S548-D552 VanDerWaalsContact O-CB 3.28Å; S548-D552 WeakPolarHBondContact O-CB 3.3Å; S548-D552 PolarHBondContact O-N 3.04Å; S548-D552 VanDerWaalsContact O-OD2 3.07Å |
| 549 | T | 56.5 | Low | 55.5 | Low | 79 Ų | 79 | 88.2 Ų | 88.2 | 49% | 0.485 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.2 | -32.8 | -179.1 | 49.6 | 0 | 0 | 0 | 0 | 113.4 | A547 M553 | A547-T549 PolarHBondContact O-N 3.37Å; T549-M553 WeakPolarHBondContact O-CG 3.49Å; T549-M553 PolarHBondContact O-N 3.26Å; T549-M553 VanDerWaalsContact O-N 3.16Å |
| 550 | D | 60.8 | Low | 58.1 | Low | 94 Ų | 94 | 84.9 Ų | 84.9 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -78 | -42 | -179.7 | -78.9 | -12.4 | 0 | 0 | 0 | 110.8 | A547 S548 D552 M553 E554 | A547-D550 PolarHBondContact O-N 3.4Å; S548-D550 VanDerWaalsContact C-N 3.34Å; S548-D550 PolarHBondContact O-N 3.21Å; D550-D552 VanDerWaalsContact C-N 3.35Å; D550-D552 PolarHBondContact O-N 3.28Å; D550-M553 PolarHBondContact O-N 3.2Å; D550-E554 WeakPolarHBondContact O-CG 3.33Å; D550-E554 PolarHBondContact O-N 3.16Å |
| 551 | E | 63.9 | Low | 60.4 | Low | 130 Ų | 130 | 77.6 Ų | 77.6 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.8 | -39 | 173.9 | -70.5 | -171 | 176.9 | 0 | 0 | 112.3 | A547 E554 T555 | A547-E551 PolarHBondContact O-N 2.91Å; A547-E551 VanDerWaalsContact O-N 3.15Å; E551-E554 PolarHBondContact O-N 3.13Å; E551-T555 WeakPolarHBondContact O-CG2 3.29Å; E551-T555 PolarHBondContact O-N 3.49Å; E551-T555 PolarHBondContact O-OG1 3.44Å |
| 552 | D | 68.4 | Low | 62.8 | Low | 103 Ų | 103 | 73.8 Ų | 73.8 | 55% | 0.551 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.7 | -40.5 | 175 | -70 | -22.4 | 0 | 0 | 0 | 111.5 | S548 D550 T555 E556 | S548-D552 VanDerWaalsContact O-CB 3.28Å; S548-D552 WeakPolarHBondContact O-CB 3.3Å; S548-D552 PolarHBondContact O-N 3.04Å; S548-D552 VanDerWaalsContact O-OD2 3.07Å; D550-D552 VanDerWaalsContact C-N 3.35Å; D550-D552 PolarHBondContact O-N 3.28Å; D552-T555 WeakPolarHBondContact CA-OG1 3.46Å; D552-T555 PolarHBondContact O-N 2.99Å; D552-T555 PolarHBondContact O-OG1 3.15Å; D552-E556 WeakPolarHBondContact O-CB 3.24Å; D552-E556 PolarHBondContact O-N 2.84Å |
| 553 | M | 69.8 | Low | 64.9 | Low | 97 Ų | 97 | 76.2 Ų | 76.2 | 48% | 0.478 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.5 | -34.1 | 174.8 | -77.3 | -150.7 | -64 | 0 | 0 | 113.2 | T549 D550 A557 | T549-M553 WeakPolarHBondContact O-CG 3.49Å; T549-M553 PolarHBondContact O-N 3.26Å; T549-M553 VanDerWaalsContact O-N 3.16Å; D550-M553 PolarHBondContact O-N 3.2Å; M553-A557 WeakPolarHBondContact O-CB 3.35Å; M553-A557 PolarHBondContact O-N 3.44Å; M553-A557 VanDerWaalsContact O-N 3.07Å |
| 554 | E | 75.8 | Confident | 67 | Low | 88 Ų | 88 | 74 Ų | 74 | 41% | 0.411 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 174.4 | -75.1 | -165.7 | 175.1 | 0 | 0 | 112.1 | I195 R199 D550 E551 V558 | I195-E554 HydrophobicContact CD1-CB 3.84Å; I195-E554 HydrophobicContact CD1-CG 3.6Å; R199-E554 IonicContact NH2-OE2 3.86Å; D550-E554 WeakPolarHBondContact O-CG 3.33Å; D550-E554 PolarHBondContact O-N 3.16Å; E551-E554 PolarHBondContact O-N 3.13Å; E554-V558 VanDerWaalsContact O-CG2 3.28Å; E554-V558 WeakPolarHBondContact O-CG2 3.46Å; E554-V558 PolarHBondContact O-N 2.91Å; E554-V558 VanDerWaalsContact O-N 3.14Å |
| 555 | T | 76.4 | Confident | 69.3 | Low | 61 Ų | 61 | 70.8 Ų | 70.8 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.8 | -42.1 | 176.7 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | E551 D552 A557 V558 N559 | E551-T555 WeakPolarHBondContact O-CG2 3.29Å; E551-T555 PolarHBondContact O-N 3.49Å; E551-T555 PolarHBondContact O-OG1 3.44Å; D552-T555 WeakPolarHBondContact CA-OG1 3.46Å; D552-T555 PolarHBondContact O-N 2.99Å; D552-T555 PolarHBondContact O-OG1 3.15Å; T555-A557 PolarHBondContact O-N 3.43Å; T555-V558 PolarHBondContact O-N 3.39Å; T555-N559 VanDerWaalsContact O-CG 3.28Å; T555-N559 PolarHBondContact O-N 3.23Å; T555-N559 PolarHBondContact O-ND2 2.92Å |
| 556 | E | 78.5 | Confident | 71.3 | Confident | 115 Ų | 115 | 67 Ų | 67 | 54% | 0.537 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.1 | -47.2 | 173.2 | -170.3 | -173.2 | -176.2 | 0 | 0 | 111.6 | D552 V558 N559 E560 | D552-E556 WeakPolarHBondContact O-CB 3.24Å; D552-E556 PolarHBondContact O-N 2.84Å; E556-V558 VanDerWaalsContact C-N 3.27Å; E556-V558 PolarHBondContact O-N 3.5Å; E556-N559 PolarHBondContact O-N 3.37Å; E556-E560 PolarHBondContact O-N 3.2Å |
| 557 | A | 79.5 | Confident | 72.8 | Confident | 8 Ų | 8 | 71.8 Ų | 71.8 | 7% | 0.066 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.8 | -31.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M553 T555 I561 | M553-A557 WeakPolarHBondContact O-CB 3.35Å; M553-A557 PolarHBondContact O-N 3.44Å; M553-A557 VanDerWaalsContact O-N 3.07Å; T555-A557 PolarHBondContact O-N 3.43Å; A557-I561 WeakPolarHBondContact O-CD1 3.46Å |
| 558 | V | 79.9 | Confident | 74.4 | Confident | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.012 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -74.9 | -42.3 | 175.1 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | I195 L196 E554 T555 E556 E560 I561 L562 | I195-V558 HydrophobicContact CB-CG2 4.14Å; I195-V558 HydrophobicContact CG2-CG2 3.75Å; L196-V558 HydrophobicContact CD1-CG1 4.42Å; L196-V558 HydrophobicContact CD2-CG1 3.72Å; L196-V558 HydrophobicContact CG-CG1 4.08Å; L196-V558 HydrophobicContact CG-CG2 4.24Å; E554-V558 VanDerWaalsContact O-CG2 3.28Å; E554-V558 WeakPolarHBondContact O-CG2 3.46Å; E554-V558 PolarHBondContact O-N 2.91Å; E554-V558 VanDerWaalsContact O-N 3.14Å; T555-V558 PolarHBondContact O-N 3.39Å; E556-V558 VanDerWaalsContact C-N 3.27Å; E556-V558 PolarHBondContact O-N 3.5Å; V558-E560 VanDerWaalsContact C-N 3.34Å; V558-E560 PolarHBondContact O-N 3.34Å; V558-I561 PolarHBondContact O-N 3.12Å; V558-I561 VanDerWaalsContact O-N 3.13Å; V558-L562 HydrophobicContact CG1-CD1 3.95Å; V558-L562 HydrophobicContact CG1-CG 4.43Å; V558-L562 WeakPolarHBondContact O-CG 3.28Å; V558-L562 PolarHBondContact O-N 3.02Å; V558-L562 VanDerWaalsContact O-N 3.16Å |
| 559 | N | 80.9 | Confident | 75.6 | Confident | 86 Ų | 86 | 72.9 Ų | 72.9 | 46% | 0.46 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 177.8 | -70.8 | -18.2 | 0 | 0 | 0 | 112 | T555 E556 I561 L562 E563 | T555-N559 VanDerWaalsContact O-CG 3.28Å; T555-N559 PolarHBondContact O-N 3.23Å; T555-N559 PolarHBondContact O-ND2 2.92Å; E556-N559 PolarHBondContact O-N 3.37Å; N559-I561 PolarHBondContact O-N 3.41Å; N559-L562 PolarHBondContact O-N 3.05Å; N559-L562 VanDerWaalsContact O-N 3.09Å; N559-E563 WeakPolarHBondContact O-CG 3.38Å; N559-E563 PolarHBondContact O-N 2.91Å |
| 560 | E | 82.5 | Confident | 76.7 | Confident | 39 Ų | 39 | 69.8 Ų | 69.8 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.9 | -32.8 | 175.5 | -164.4 | -159.6 | 141.7 | 0 | 0 | 112.7 | Q185 K242 E556 V558 | Q185-E560 WeakPolarHBondContact CG-OE1 3.26Å; Q185-E560 PolarHBondContact NE2-OE1 3.45Å; K242-E560 IonicContact NZ-OE1 2.72Å; K242-E560 PolarHBondContact NZ-OE1 3.45Å; E556-E560 PolarHBondContact O-N 3.2Å; V558-E560 VanDerWaalsContact C-N 3.34Å; V558-E560 PolarHBondContact O-N 3.34Å |
| 561 | I | 81.8 | Confident | 77.9 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -77.3 | -40.4 | 178.6 | -66.8 | 161.2 | 0 | 0 | 0 | 110.6 | L193 L196 A557 V558 N559 E563 D564 I565 | L193-I561 HydrophobicContact CB-CD1 4.34Å; L193-I561 HydrophobicContact CD2-CD1 4.05Å; L193-I561 HydrophobicContact CD2-CG2 3.83Å; L193-I561 HydrophobicContact CG-CD1 3.77Å; L193-I561 HydrophobicContact CG-CG1 4.47Å; L196-I561 HydrophobicContact CD1-CB 4.26Å; L196-I561 HydrophobicContact CD1-CD1 4.24Å; L196-I561 HydrophobicContact CD1-CG2 3.84Å; A557-I561 WeakPolarHBondContact O-CD1 3.46Å; V558-I561 PolarHBondContact O-N 3.12Å; V558-I561 VanDerWaalsContact O-N 3.13Å; N559-I561 PolarHBondContact O-N 3.41Å; I561-E563 VanDerWaalsContact C-N 3.27Å; I561-E563 PolarHBondContact O-N 3.08Å; I561-D564 PolarHBondContact O-N 2.84Å; I561-D564 VanDerWaalsContact O-N 3.1Å; I561-I565 HydrophobicContact CG2-CD1 4.15Å; I561-I565 HydrophobicContact CG2-CG1 4.5Å; I561-I565 WeakPolarHBondContact O-CG1 3.49Å; I561-I565 PolarHBondContact O-N 2.93Å |
| 562 | L | 81.3 | Confident | 79 | Confident | 43 Ų | 43 | 62.3 Ų | 62.3 | 23% | 0.225 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.4 | -33.2 | -179 | -64.6 | 164.5 | 0 | 0 | 0 | 112.1 | P211 V558 N559 D564 I565 | P211-L562 HydrophobicContact CB-CD1 3.92Å; P211-L562 HydrophobicContact CB-CD2 4.06Å; P211-L562 HydrophobicContact CG-CD1 3.17Å; P211-L562 HydrophobicContact CG-CD2 4.09Å; P211-L562 HydrophobicContact CG-CG 4.26Å; V558-L562 HydrophobicContact CG1-CD1 3.95Å; V558-L562 HydrophobicContact CG1-CG 4.43Å; V558-L562 WeakPolarHBondContact O-CG 3.28Å; V558-L562 PolarHBondContact O-N 3.02Å; V558-L562 VanDerWaalsContact O-N 3.16Å; N559-L562 PolarHBondContact O-N 3.05Å; N559-L562 VanDerWaalsContact O-N 3.09Å; L562-D564 PolarHBondContact O-N 3.23Å; L562-I565 HydrophobicContact CD2-CD1 4.33Å; L562-I565 PolarHBondContact O-N 3.04Å |
| 563 | E | 83.6 | Confident | 80 | Confident | 157 Ų | 157 | 57.4 Ų | 57.4 | 73% | 0.734 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.2 | -31.2 | 172.9 | -72.1 | 178.1 | -174.9 | 0 | 0 | 112.9 | N559 I561 | N559-E563 WeakPolarHBondContact O-CG 3.38Å; N559-E563 PolarHBondContact O-N 2.91Å; I561-E563 VanDerWaalsContact C-N 3.27Å; I561-E563 PolarHBondContact O-N 3.08Å |
| 564 | D | 83.1 | Confident | 80.9 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 11% | 0.107 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -89.7 | -7.9 | 179.7 | -74.8 | -30.7 | 0 | 0 | 0 | 112.8 | K242 A245 R249 I561 L562 | K242-D564 HydrophobicContact CD-CB 4.22Å; K242-D564 WeakPolarHBondContact CD-OD2 3.32Å; K242-D564 WeakPolarHBondContact CE-OD2 3.38Å; K242-D564 IonicContact NZ-OD2 3.38Å; K242-D564 PolarHBondContact NZ-OD2 3.46Å; A245-D564 HydrophobicContact CB-CB 3.86Å; R249-D564 IonicContact CZ-OD1 2.78Å; R249-D564 IonicContact NH1-OD1 3.46Å; R249-D564 IonicContact NH2-OD1 3.83Å; R249-D564 PolarHBondContact NH2-OD1 3.47Å; I561-D564 PolarHBondContact O-N 2.84Å; I561-D564 VanDerWaalsContact O-N 3.1Å; L562-D564 PolarHBondContact O-N 3.23Å |
| 565 | I | 82.7 | Confident | 81.4 | Confident | 48 Ų | 48 | 51 Ų | 51 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -82.7 | 119.6 | 173.6 | -67.6 | 172.3 | 0 | 0 | 0 | 108.4 | L213 I561 L562 | L213-I565 HydrophobicContact CD1-CD1 3.66Å; L213-I565 HydrophobicContact CD2-CD1 3.77Å; L213-I565 HydrophobicContact CG-CD1 4.36Å; I561-I565 HydrophobicContact CG2-CD1 4.15Å; I561-I565 HydrophobicContact CG2-CG1 4.5Å; I561-I565 WeakPolarHBondContact O-CG1 3.49Å; I561-I565 PolarHBondContact O-N 2.93Å; L562-I565 HydrophobicContact CD2-CD1 4.33Å; L562-I565 PolarHBondContact O-N 3.04Å |
| 566 | P | 79.4 | Confident | 81.9 | Confident | 36 Ų | 36 | 51.8 Ų | 51.8 | 23% | 0.234 | 26% | 0.259 | C | S | . | . | trans | -66.5 | 141.4 | -178.1 | 26 | -32.6 | 0 | 0 | 0 | 111.6 | H568 D571 | P566-H568 PolarHBondContact O-N 3.17Å; P566-D571 HydrophobicContact CB-CB 3.52Å; P566-D571 WeakPolarHBondContact CB-OD2 3.42Å; P566-D571 HydrophobicContact CG-CB 3.96Å | ||
| 567 | E | 72.8 | Confident | 82.5 | Confident | 188 Ų | 188 | 46.4 Ų | 46.4 | 88% | 0.879 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -65.8 | -26 | 174.9 | -63.8 | -173.3 | 172.8 | 0 | 0 | 112.6 | ||
| 568 | H | 75 | Confident | 83 | Confident | 40 Ų | 40 | 51.7 Ų | 51.7 | 19% | 0.185 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -107.7 | 122.1 | -179.4 | -162.7 | -27.8 | 0 | 0 | 0 | 111.2 | P566 E570 D571 | P566-H568 PolarHBondContact O-N 3.17Å; H568-E570 IonicContact CE1-OE2 2.91Å; H568-E570 PolarHBondContact ND1-N 3.28Å; H568-E570 PolarHBondContact O-N 3.36Å; H568-D571 WeakPolarHBondContact O-CB 3.38Å; H568-D571 PolarHBondContact O-N 3.46Å |
| 569 | E | 74.5 | Confident | 83.6 | Confident | 93 Ų | 93 | 53.7 Ų | 53.7 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -24.1 | -179 | -62.4 | 174.5 | -178.8 | 0 | 0 | 114.7 | G220 Y572 | G220-E569 WeakPolarHBondContact CA-OE1 3.42Å; G220-E569 WeakPolarHBondContact CA-OE2 3.4Å; E569-Y572 WeakPolarHBondContact O-CD1 3.33Å; E569-Y572 WeakPolarHBondContact O-CE1 3.48Å |
| 570 | E | 81.1 | Confident | 84.2 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 10.2 | -177.2 | -59.6 | -171.2 | 151.5 | 0 | 0 | 112.2 | K329 K334 L395 H568 Y572 L573 | K329-E570 IonicContact NZ-OE1 3.33Å; K329-E570 PolarHBondContact NZ-OE1 3.06Å; K334-E570 IonicContact NZ-OE2 2.85Å; K334-E570 PolarHBondContact NZ-OE2 3.38Å; L395-E570 HydrophobicContact CD1-CB 4.02Å; H568-E570 IonicContact CE1-OE2 2.91Å; H568-E570 PolarHBondContact ND1-N 3.28Å; H568-E570 PolarHBondContact O-N 3.36Å; E570-Y572 PolarHBondContact O-N 3.41Å; E570-Y572 VanDerWaalsContact O-N 3.15Å; E570-L573 HydrophobicContact CB-CD1 4.3Å; E570-L573 WeakPolarHBondContact O-CB 3.31Å; E570-L573 PolarHBondContact O-N 3.07Å |
| 571 | D | 85.3 | Confident | 84.7 | Confident | 18 Ų | 18 | 52.2 Ų | 52.2 | 10% | 0.096 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -56.8 | -31.1 | -178.2 | 171.1 | 74.4 | 0 | 0 | 0 | 113.2 | K248 Q391 P566 H568 L573 D574 | K248-D571 IonicContact NZ-OD1 3.44Å; K248-D571 PolarHBondContact NZ-OD1 3.19Å; K248-D571 IonicContact NZ-OD2 2.8Å; K248-D571 PolarHBondContact NZ-OD2 2.84Å; Q391-D571 PolarHBondContact NE2-OD1 3.14Å; P566-D571 HydrophobicContact CB-CB 3.52Å; P566-D571 WeakPolarHBondContact CB-OD2 3.42Å; P566-D571 HydrophobicContact CG-CB 3.96Å; H568-D571 WeakPolarHBondContact O-CB 3.38Å; H568-D571 PolarHBondContact O-N 3.46Å; D571-L573 PolarHBondContact O-N 3.3Å; D571-D574 WeakPolarHBondContact O-CB 3.39Å; D571-D574 PolarHBondContact O-N 2.89Å |
| 572 | Y | 87 | Confident | 85.4 | Confident | 50 Ų | 50 | 57.3 Ų | 57.3 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -69.5 | -15 | 175.9 | 74.4 | -86.9 | 0 | 0 | 0 | 114.3 | V282 L338 E569 E570 | V282-Y572 HydrophobicContact CG1-CD2 4.09Å; V282-Y572 HydrophobicContact CG2-CD2 4.31Å; V282-Y572 HydrophobicContact CG2-CE2 4.02Å; L338-Y572 HydrophobicContact CD1-CE2 4.19Å; L338-Y572 HydrophobicContact CD2-CD2 4.31Å; L338-Y572 HydrophobicContact CD2-CE2 4.34Å; E569-Y572 WeakPolarHBondContact O-CD1 3.33Å; E569-Y572 WeakPolarHBondContact O-CE1 3.48Å; E570-Y572 PolarHBondContact O-N 3.41Å; E570-Y572 VanDerWaalsContact O-N 3.15Å |
| 573 | L | 89.2 | Confident | 86 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -89 | -10.9 | 172.7 | -58.6 | 177.8 | 0 | 0 | 0 | 112 | K334 E335 L338 L395 R398 E570 D571 S575 | K334-L573 HydrophobicContact CB-CD1 4.04Å; E335-L573 HydrophobicContact CG-CD1 4.1Å; L338-L573 HydrophobicContact CD1-CD2 3.87Å; L338-L573 HydrophobicContact CD2-CD2 3.97Å; L338-L573 HydrophobicContact CG-CD2 3.75Å; L395-L573 HydrophobicContact CD2-CB 3.99Å; R398-L573 PolarHBondContact NH1-O 3.33Å; E570-L573 HydrophobicContact CB-CD1 4.3Å; E570-L573 WeakPolarHBondContact O-CB 3.31Å; E570-L573 PolarHBondContact O-N 3.07Å; D571-L573 PolarHBondContact O-N 3.3Å; L573-S575 PolarHBondContact O-N 3.48Å; L573-S575 VanDerWaalsContact O-N 3.11Å |
| 574 | D | 89 | Confident | 86.6 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 16% | 0.16 | 24% | 0.244 | C | C | . | . | trans | -82.8 | 85.9 | -179.6 | -172.7 | 28.7 | 0 | 0 | 0 | 111.3 | Q391 R394 L395 D571 | Q391-D574 VanDerWaalsContact CB-OD2 3.3Å; Q391-D574 WeakPolarHBondContact CB-OD2 3.11Å; Q391-D574 HydrophobicContact CG-CB 4.07Å; Q391-D574 WeakPolarHBondContact CG-OD2 3.34Å; Q391-D574 PolarHBondContact NE2-OD2 3.46Å; R394-D574 IonicContact CZ-OD1 3.51Å; R394-D574 IonicContact CZ-OD2 2.71Å; R394-D574 IonicContact NE-OD1 3.17Å; R394-D574 PolarHBondContact NE-OD1 3.23Å; R394-D574 IonicContact NE-OD2 2.67Å; R394-D574 VanDerWaalsContact NH2-CG 3.32Å; R394-D574 IonicContact NH2-OD1 3.83Å; R394-D574 PolarHBondContact NH2-OD1 3.4Å; R394-D574 VanDerWaalsContact NH2-OD1 3.16Å; R394-D574 IonicContact NH2-OD2 3.64Å; R394-D574 PolarHBondContact NH2-OD2 3.12Å; L395-D574 HydrophobicContact CD2-CB 4.33Å; L395-D574 HydrophobicContact CG-CB 4.43Å; D571-D574 WeakPolarHBondContact O-CB 3.39Å; D571-D574 PolarHBondContact O-N 2.89Å | ||
| 575 | S | 85.9 | Confident | 87.1 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 15% | 0.147 | 26% | 0.263 | C | S | . | . | trans | -107.5 | 150 | 171 | -177 | 0 | 0 | 0 | 0 | 111.1 | R398 L573 L577 | R398-S575 VanDerWaalsContact CZ-O 3.29Å; R398-S575 PolarHBondContact NH1-O 3.29Å; R398-S575 VanDerWaalsContact NH1-O 3.1Å; R398-S575 PolarHBondContact NH2-O 2.95Å; L573-S575 PolarHBondContact O-N 3.48Å; L573-S575 VanDerWaalsContact O-N 3.11Å; S575-L577 PolarHBondContact OG-N 3.46Å; S575-L577 VanDerWaalsContact OG-N 3.12Å | ||
| 576 | T | 87.3 | Confident | 87.6 | Confident | 76 Ų | 76 | 52 Ų | 52 | 47% | 0.466 | 27% | 0.268 | S | S | . | . | trans | -82.9 | -16.7 | 167.5 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | E578 | T576-E578 PolarHBondContact O-N 3.32Š| ||
| 577 | L | 90.7 | Very high | 88.2 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | trans | 63.9 | 7.1 | -175.2 | -53.8 | 175.6 | 0 | 0 | 0 | 115.5 | V337 L340 F370 L373 S575 E580 E581 | V337-L577 HydrophobicContact CG1-CD2 4.08Å; L340-L577 HydrophobicContact CD1-CD1 4.2Å; L340-L577 HydrophobicContact CD1-CD2 4.12Å; L340-L577 HydrophobicContact CD2-CD2 4.4Å; F370-L577 HydrophobicContact CD2-CB 4.04Å; F370-L577 HydrophobicContact CD2-CD1 4.32Å; F370-L577 HydrophobicContact CE2-CB 3.81Å; L373-L577 HydrophobicContact CB-CD1 3.75Å; S575-L577 PolarHBondContact OG-N 3.46Å; S575-L577 VanDerWaalsContact OG-N 3.12Å; L577-E580 WeakPolarHBondContact CA-OE2 3.31Å; L577-E580 PolarHBondContact O-N 2.97Å; L577-E581 PolarHBondContact O-N 3.1Å | ||
| 578 | E | 90.8 | Very high | 89.2 | Confident | 120 Ų | 120 | 42.1 Ų | 42.1 | 56% | 0.561 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -62.7 | -47.4 | -179.5 | -68.7 | 167.9 | -163.3 | 0 | 0 | 112.2 | T576 E580 E581 I582 | T576-E578 PolarHBondContact O-N 3.32Å; E578-E580 VanDerWaalsContact C-N 3.33Å; E578-E580 PolarHBondContact O-N 3.4Å; E578-E581 PolarHBondContact O-N 2.93Å; E578-I582 WeakPolarHBondContact O-CG1 3.26Å; E578-I582 PolarHBondContact O-N 2.82Å |
| 579 | D | 90.6 | Very high | 90 | Very high | 43 Ų | 43 | 42.3 Ų | 42.3 | 23% | 0.23 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 177.3 | -82.5 | -5.8 | 0 | 0 | 0 | 110 | W289 R293 E581 I582 I583 | W289-D579 HydrophobicContact CH2-CB 4.46Å; W289-D579 HydrophobicContact CZ2-CB 4.29Å; R293-D579 IonicContact CZ-OD2 2.94Å; R293-D579 IonicContact NH1-OD2 2.75Å; R293-D579 PolarHBondContact NH1-OD2 3.29Å; R293-D579 IonicContact NH2-OD2 3.99Å; D579-E581 PolarHBondContact O-N 3.14Å; D579-I582 PolarHBondContact O-N 3.39Å; D579-I583 VanDerWaalsContact O-CD1 3.23Å; D579-I583 WeakPolarHBondContact O-CD1 3.37Å; D579-I583 WeakPolarHBondContact O-CG1 3.23Å; D579-I583 PolarHBondContact O-N 3.12Å; D579-I583 VanDerWaalsContact O-N 3.09Å |
| 580 | E | 93.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -39.3 | 178.3 | -70 | 96.9 | 142.6 | 0 | 0 | 113.4 | W289 L340 R341 L344 L577 E578 I582 I583 I584 | W289-E580 HydrophobicContact CH2-CG 4.38Å; L340-E580 HydrophobicContact CD2-CB 3.82Å; L340-E580 HydrophobicContact CD2-CG 3.72Å; R341-E580 IonicContact CZ-OE1 3.79Å; R341-E580 IonicContact NE-OE1 3.64Å; R341-E580 PolarHBondContact NE-OE1 2.88Å; R341-E580 IonicContact NH2-OE1 3.69Å; R341-E580 PolarHBondContact NH2-OE1 3.01Å; R341-E580 IonicContact NH2-OE2 2.75Å; R341-E580 PolarHBondContact NH2-OE2 3.45Å; L344-E580 HydrophobicContact CD2-CB 3.89Å; L344-E580 HydrophobicContact CD2-CG 3.66Å; L577-E580 WeakPolarHBondContact CA-OE2 3.31Å; L577-E580 PolarHBondContact O-N 2.97Å; E578-E580 VanDerWaalsContact C-N 3.33Å; E578-E580 PolarHBondContact O-N 3.4Å; E580-I582 PolarHBondContact O-N 3.38Å; E580-I583 PolarHBondContact O-N 3.2Å; E580-I584 HydrophobicContact CB-CD1 4.39Å; E580-I584 VanDerWaalsContact O-CB 3.27Å; E580-I584 WeakPolarHBondContact O-CB 3.37Å; E580-I584 WeakPolarHBondContact O-CD1 3.44Å; E580-I584 WeakPolarHBondContact O-CG1 3.2Å; E580-I584 PolarHBondContact O-N 3.42Å |
| 581 | E | 94.4 | Very high | 90.9 | Very high | 92 Ų | 92 | 39.8 Ų | 39.8 | 43% | 0.43 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57 | -51.1 | 176.9 | -175.6 | 175.4 | -166.4 | 0 | 0 | 111.2 | F370 L577 E578 D579 I583 I584 A585 | F370-E581 HydrophobicContact CD2-CB 4.47Å; F370-E581 HydrophobicContact CE1-CB 4.33Å; F370-E581 HydrophobicContact CE1-CG 3.92Å; F370-E581 HydrophobicContact CE2-CB 3.66Å; F370-E581 HydrophobicContact CE2-CG 4.16Å; F370-E581 HydrophobicContact CZ-CB 3.58Å; F370-E581 VanDerWaalsContact CZ-CD 3.45Å; F370-E581 HydrophobicContact CZ-CG 3.55Å; L577-E581 PolarHBondContact O-N 3.1Å; E578-E581 PolarHBondContact O-N 2.93Å; D579-E581 PolarHBondContact O-N 3.14Å; E581-I583 PolarHBondContact O-N 2.9Å; E581-I584 PolarHBondContact O-N 3.04Å; E581-A585 WeakPolarHBondContact O-CB 3.33Å; E581-A585 PolarHBondContact O-N 3.19Å |
| 582 | I | 95.2 | Very high | 90.9 | Very high | 111 Ų | 111 | 42.2 Ų | 42.2 | 57% | 0.569 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -60.4 | -47.6 | -179.2 | -63.6 | 168.1 | 0 | 0 | 0 | 109.9 | E578 D579 E580 A585 E586 | E578-I582 WeakPolarHBondContact O-CG1 3.26Å; E578-I582 PolarHBondContact O-N 2.82Å; D579-I582 PolarHBondContact O-N 3.39Å; E580-I582 PolarHBondContact O-N 3.38Å; I582-A585 PolarHBondContact O-N 3.01Å; I582-E586 WeakPolarHBondContact O-CB 3.49Å; I582-E586 PolarHBondContact O-N 3.06Å |
| 583 | I | 94.4 | Very high | 90.6 | Very high | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.072 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.7 | -40.1 | -176.8 | -61.1 | 159.2 | 0 | 0 | 0 | 111.2 | W289 F292 L344 I348 D579 E580 E581 A585 E586 Y587 | W289-I583 HydrophobicContact CH2-CD1 3.52Å; W289-I583 HydrophobicContact CZ2-CD1 4.3Å; W289-I583 HydrophobicContact CZ3-CD1 4.15Å; F292-I583 HydrophobicContact CE1-CD1 3.66Å; F292-I583 HydrophobicContact CE1-CG1 4.21Å; F292-I583 HydrophobicContact CE1-CG2 4.25Å; F292-I583 HydrophobicContact CZ-CD1 4.27Å; F292-I583 HydrophobicContact CZ-CG1 4.35Å; F292-I583 HydrophobicContact CZ-CG2 3.85Å; L344-I583 HydrophobicContact CD1-CG2 3.98Å; L344-I583 HydrophobicContact CD2-CB 4.35Å; L344-I583 HydrophobicContact CD2-CG2 4.31Å; L344-I583 HydrophobicContact CG-CG2 4.44Å; I348-I583 HydrophobicContact CD1-CG2 3.64Å; I348-I583 HydrophobicContact CG1-CG2 4.44Å; D579-I583 VanDerWaalsContact O-CD1 3.23Å; D579-I583 WeakPolarHBondContact O-CD1 3.37Å; D579-I583 WeakPolarHBondContact O-CG1 3.23Å; D579-I583 PolarHBondContact O-N 3.12Å; D579-I583 VanDerWaalsContact O-N 3.09Å; E580-I583 PolarHBondContact O-N 3.2Å; E581-I583 PolarHBondContact O-N 2.9Å; I583-A585 VanDerWaalsContact C-N 3.35Å; I583-E586 PolarHBondContact O-N 3.34Å; I583-Y587 HydrophobicContact CG2-CD2 3.79Å; I583-Y587 HydrophobicContact CG2-CE2 4.06Å; I583-Y587 WeakPolarHBondContact O-CD2 3.42Å; I583-Y587 PolarHBondContact O-N 3.01Å |
| 584 | I | 95.4 | Very high | 89.5 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 175.3 | -73.7 | 164.3 | 0 | 0 | 0 | 109.6 | L340 L344 A366 R367 F370 E580 E581 L588 | L340-I584 HydrophobicContact CD2-CD1 4.35Å; L344-I584 HydrophobicContact CD1-CG1 3.58Å; L344-I584 HydrophobicContact CD2-CG1 4.21Å; L344-I584 HydrophobicContact CG-CG1 4.38Å; A366-I584 HydrophobicContact CB-CD1 4.04Å; A366-I584 HydrophobicContact CB-CG1 4.27Å; R367-I584 HydrophobicContact CB-CG2 3.92Å; R367-I584 HydrophobicContact CG-CG2 4.41Å; F370-I584 HydrophobicContact CB-CD1 4.22Å; E580-I584 HydrophobicContact CB-CD1 4.39Å; E580-I584 VanDerWaalsContact O-CB 3.27Å; E580-I584 WeakPolarHBondContact O-CB 3.37Å; E580-I584 WeakPolarHBondContact O-CD1 3.44Å; E580-I584 WeakPolarHBondContact O-CG1 3.2Å; E580-I584 PolarHBondContact O-N 3.42Å; E581-I584 PolarHBondContact O-N 3.04Å; I584-L588 HydrophobicContact CG2-CD1 3.65Å; I584-L588 HydrophobicContact CG2-CG 4.36Å; I584-L588 VanDerWaalsContact O-CB 3.25Å; I584-L588 WeakPolarHBondContact O-CB 3.47Å; I584-L588 VanDerWaalsContact O-CG 3.27Å; I584-L588 WeakPolarHBondContact O-CG 3.24Å; I584-L588 PolarHBondContact O-N 3.45Å |
| 585 | A | 94.4 | Very high | 88.3 | Confident | 60 Ų | 60 | 50.4 Ų | 50.4 | 50% | 0.496 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E581 I582 I583 S589 | E581-A585 WeakPolarHBondContact O-CB 3.33Å; E581-A585 PolarHBondContact O-N 3.19Å; I582-A585 PolarHBondContact O-N 3.01Å; I583-A585 VanDerWaalsContact C-N 3.35Å; A585-S589 WeakPolarHBondContact O-CB 3.39Å; A585-S589 PolarHBondContact O-N 2.89Å |
| 586 | E | 93.4 | Very high | 87 | Confident | 75 Ų | 75 | 52 Ų | 52 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58 | -54.8 | 178.2 | -170.1 | -166.2 | 167.5 | 0 | 0 | 111.4 | I582 I583 L588 S589 Y590 | I582-E586 WeakPolarHBondContact O-CB 3.49Å; I582-E586 PolarHBondContact O-N 3.06Å; I583-E586 PolarHBondContact O-N 3.34Å; E586-L588 PolarHBondContact O-N 3.14Å; E586-S589 WeakPolarHBondContact O-CB 3.39Å; E586-S589 PolarHBondContact O-N 3.39Å; E586-S589 PolarHBondContact O-OG 3.28Å; E586-Y590 HydrophobicContact CG-CE1 4.41Å; E586-Y590 PolarHBondContact OE1-OH 3.45Å; E586-Y590 WeakPolarHBondContact OE1-CE2 3.36Å; E586-Y590 WeakPolarHBondContact CG-OH 3.33Å; E586-Y590 HydrophobicContact CG-CE2 3.66Å; E586-Y590 PolarHBondContact O-N 3.35Å |
| 587 | Y | 92.4 | Very high | 85.5 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.5 | -32.5 | -176.5 | -85.4 | -97.7 | 0 | 0 | 0 | 113.3 | F292 I348 Y351 H352 I583 S589 Y590 V591 | F292-Y587 HydrophobicContact CE2-CE2 4.04Å; F292-Y587 HydrophobicContact CZ-CE2 4.16Å; I348-Y587 HydrophobicContact CB-CD1 4.44Å; I348-Y587 HydrophobicContact CB-CE1 4.18Å; I348-Y587 HydrophobicContact CD1-CE2 4.43Å; I348-Y587 HydrophobicContact CG1-CD1 3.95Å; I348-Y587 HydrophobicContact CG1-CD2 4.03Å; I348-Y587 HydrophobicContact CG1-CE1 3.98Å; I348-Y587 HydrophobicContact CG1-CE2 4.07Å; I348-Y587 HydrophobicContact CG1-CG 3.97Å; I348-Y587 HydrophobicContact CG2-CE1 3.8Å; Y351-Y587 AromaticContact CD1-CD1 3.95Å; Y351-Y587 HydrophobicContact CD1-CD1 3.95Å; Y351-Y587 AromaticContact CD1-CE1 3.74Å; Y351-Y587 HydrophobicContact CD1-CE1 3.74Å; Y351-Y587 HydrophobicContact CE1-CE1 4.35Å; Y351-Y587 HydrophobicContact CG-CD1 4.11Å; Y351-Y587 HydrophobicContact CG-CE1 4.32Å; H352-Y587 AromaticContact NE2-CE1 3.58Å; H352-Y587 AromaticContact NE2-CZ 3.67Å; H352-Y587 PolarHBondContact NE2-OH 2.93Å; I583-Y587 HydrophobicContact CG2-CD2 3.79Å; I583-Y587 HydrophobicContact CG2-CE2 4.06Å; I583-Y587 WeakPolarHBondContact O-CD2 3.42Å; I583-Y587 PolarHBondContact O-N 3.01Å; Y587-S589 VanDerWaalsContact C-N 3.33Å; Y587-Y590 HydrophobicContact CD1-CD2 4.28Å; Y587-Y590 HydrophobicContact CG-CD2 4.33Å; Y587-Y590 PolarHBondContact O-N 2.91Å; Y587-V591 WeakPolarHBondContact O-CG2 3.43Å; Y587-V591 PolarHBondContact O-N 3.39Å |
| 588 | L | 92.9 | Very high | 83.6 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 171.2 | -78.5 | 173.6 | 0 | 0 | 0 | 111.2 | Y360 L363 R367 I584 E586 Y590 V591 E592 | Y360-L588 HydrophobicContact CD2-CD2 4.42Å; Y360-L588 HydrophobicContact CE2-CD2 4.49Å; L363-L588 HydrophobicContact CB-CD2 3.55Å; L363-L588 HydrophobicContact CB-CG 4Å; L363-L588 HydrophobicContact CD1-CD2 4.28Å; R367-L588 HydrophobicContact CB-CD1 4.22Å; R367-L588 HydrophobicContact CG-CD1 4.42Å; I584-L588 HydrophobicContact CG2-CD1 3.65Å; I584-L588 HydrophobicContact CG2-CG 4.36Å; I584-L588 VanDerWaalsContact O-CB 3.25Å; I584-L588 WeakPolarHBondContact O-CB 3.47Å; I584-L588 VanDerWaalsContact O-CG 3.27Å; I584-L588 WeakPolarHBondContact O-CG 3.24Å; I584-L588 PolarHBondContact O-N 3.45Å; E586-L588 PolarHBondContact O-N 3.14Å; L588-Y590 PolarHBondContact O-N 2.92Å; L588-V591 VanDerWaalsContact O-N 3.16Å; L588-V591 PolarHBondContact O-N 2.86Å; L588-E592 VanDerWaalsContact O-CB 3.31Å; L588-E592 WeakPolarHBondContact O-CB 3.26Å; L588-E592 WeakPolarHBondContact O-CG 3.49Å; L588-E592 PolarHBondContact O-N 2.87Å |
| 589 | S | 91.4 | Very high | 81.4 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 31% | 0.308 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.8 | -38.7 | 176.2 | 83.4 | 0 | 0 | 0 | 0 | 111.8 | A585 E586 Y587 N593 | A585-S589 WeakPolarHBondContact O-CB 3.39Å; A585-S589 PolarHBondContact O-N 2.89Å; E586-S589 WeakPolarHBondContact O-CB 3.39Å; E586-S589 PolarHBondContact O-N 3.39Å; E586-S589 PolarHBondContact O-OG 3.28Å; Y587-S589 VanDerWaalsContact C-N 3.33Å; S589-N593 VanDerWaalsContact O-CB 3.23Å; S589-N593 WeakPolarHBondContact O-CB 3.4Å; S589-N593 PolarHBondContact O-N 3.04Å; S589-N593 PolarHBondContact O-ND2 2.92Å; S589-N593 VanDerWaalsContact O-ND2 3.07Å |
| 590 | Y | 89.3 | Confident | 79 | Confident | 50 Ų | 50 | 63 Ų | 63 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 176.9 | -62.6 | -27.1 | 0 | 0 | 0 | 112.9 | A2 Y351 E586 Y587 L588 R594 | A2-Y590 HydrophobicContact CB-CE2 4.36Å; Y351-Y590 HydrophobicContact CE1-CD2 4.38Å; E586-Y590 HydrophobicContact CG-CE1 4.41Å; E586-Y590 PolarHBondContact OE1-OH 3.45Å; E586-Y590 WeakPolarHBondContact OE1-CE2 3.36Å; E586-Y590 WeakPolarHBondContact CG-OH 3.33Å; E586-Y590 HydrophobicContact CG-CE2 3.66Å; E586-Y590 PolarHBondContact O-N 3.35Å; Y587-Y590 HydrophobicContact CD1-CD2 4.28Å; Y587-Y590 HydrophobicContact CG-CD2 4.33Å; Y587-Y590 PolarHBondContact O-N 2.91Å; L588-Y590 PolarHBondContact O-N 2.92Å; Y590-R594 WeakPolarHBondContact O-CG 3.49Å |
| 591 | V | 86.8 | Confident | 76.3 | Confident | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.012 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -75.9 | -40.1 | -179.9 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | Y351 A359 Y360 L363 Y587 L588 R594 K595 | Y351-V591 HydrophobicContact CD2-CG2 3.62Å; Y351-V591 HydrophobicContact CE2-CG2 4.05Å; A359-V591 HydrophobicContact CB-CG2 4.48Å; Y360-V591 HydrophobicContact CD2-CG1 3.78Å; Y360-V591 HydrophobicContact CG-CG1 4.27Å; L363-V591 HydrophobicContact CD1-CG2 4.07Å; Y587-V591 WeakPolarHBondContact O-CG2 3.43Å; Y587-V591 PolarHBondContact O-N 3.39Å; L588-V591 VanDerWaalsContact O-N 3.16Å; L588-V591 PolarHBondContact O-N 2.86Å; V591-R594 PolarHBondContact O-N 3Å; V591-K595 PolarHBondContact O-N 3.25Å |
| 592 | E | 85.4 | Confident | 75.4 | Confident | 70 Ų | 70 | 70.7 Ų | 70.7 | 33% | 0.327 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -72.1 | -41.7 | -176.6 | -72.2 | -179.9 | 168.5 | 0 | 0 | 112.5 | Y360 R367 L588 R594 K595 S596 | Y360-E592 HydrophobicContact CE2-CG 3.93Å; R367-E592 IonicContact NH1-OE1 3.57Å; L588-E592 VanDerWaalsContact O-CB 3.31Å; L588-E592 WeakPolarHBondContact O-CB 3.26Å; L588-E592 WeakPolarHBondContact O-CG 3.49Å; L588-E592 PolarHBondContact O-N 2.87Å; E592-R594 PolarHBondContact O-N 3.22Å; E592-R594 VanDerWaalsContact O-N 3.12Å; E592-K595 PolarHBondContact O-N 2.8Å; E592-S596 PolarHBondContact O-N 3.27Å; E592-S596 PolarHBondContact O-OG 2.71Å |
| 593 | N | 79 | Confident | 74.4 | Confident | 107 Ų | 107 | 68.6 Ų | 68.6 | 57% | 0.572 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -56.9 | -30.7 | 176.3 | -75.4 | -24.9 | 0 | 0 | 0 | 112.2 | S589 S596 A597 | S589-N593 VanDerWaalsContact O-CB 3.23Å; S589-N593 WeakPolarHBondContact O-CB 3.4Å; S589-N593 PolarHBondContact O-N 3.04Å; S589-N593 PolarHBondContact O-ND2 2.92Å; S589-N593 VanDerWaalsContact O-ND2 3.07Å; N593-S596 WeakPolarHBondContact CA-OG 3.15Å; N593-S596 PolarHBondContact O-OG 3.07Å; N593-A597 PolarHBondContact O-N 3.43Å |
| 594 | R | 67.8 | Low | 73.2 | Confident | 70 Ų | 70 | 71.6 Ų | 71.6 | 26% | 0.264 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -82.4 | -33.1 | 176.6 | -59.1 | -169.8 | 110.6 | -110.7 | -7.5 | 113 | Y6 Y590 V591 E592 S596 A597 T598 | Y6-R594 VanDerWaalsContact CE1-CZ 3.44Å; Y6-R594 PolarHBondContact OH-NH1 2.83Å; Y590-R594 WeakPolarHBondContact O-CG 3.49Å; V591-R594 PolarHBondContact O-N 3Å; E592-R594 PolarHBondContact O-N 3.22Å; E592-R594 VanDerWaalsContact O-N 3.12Å; R594-S596 VanDerWaalsContact C-N 3.29Å; R594-S596 PolarHBondContact O-N 3.34Å; R594-A597 PolarHBondContact O-N 2.98Å; R594-T598 VanDerWaalsContact O-N 3.13Å; R594-T598 PolarHBondContact O-OG1 3.17Å; R594-T598 PolarHBondContact O-N 2.95Å |
| 595 | K | 62.4 | Low | 71.9 | Confident | 74 Ų | 74 | 75.4 Ų | 75.4 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.6 | -33.3 | 169.8 | -77 | -172.3 | 177 | -177.7 | 0 | 112.5 | Y360 V591 E592 T598 K599 | Y360-K595 HydrophobicContact CD2-CD 4.49Å; V591-K595 PolarHBondContact O-N 3.25Å; E592-K595 PolarHBondContact O-N 2.8Å; K595-T598 VanDerWaalsContact CA-OG1 3.29Å; K595-T598 WeakPolarHBondContact CA-OG1 3.41Å; K595-T598 PolarHBondContact O-OG1 3.25Å; K595-T598 VanDerWaalsContact O-OG1 3.08Å; K595-K599 WeakPolarHBondContact O-CB 3.38Å; K595-K599 WeakPolarHBondContact O-CG 3.41Å; K595-K599 PolarHBondContact O-N 3.36Å |
| 596 | S | 58.3 | Low | 70.5 | Confident | 54 Ų | 54 | 76.4 Ų | 76.4 | 38% | 0.378 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -75.1 | -27.3 | 175.2 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | E592 N593 R594 K600 | E592-S596 PolarHBondContact O-N 3.27Å; E592-S596 PolarHBondContact O-OG 2.71Å; N593-S596 WeakPolarHBondContact CA-OG 3.15Å; N593-S596 PolarHBondContact O-OG 3.07Å; R594-S596 VanDerWaalsContact C-N 3.29Å; R594-S596 PolarHBondContact O-N 3.34Å; S596-K600 WeakPolarHBondContact O-CG 3.41Å |
| 597 | A | 55.9 | Low | 69 | Low | 41 Ų | 41 | 76.5 Ų | 76.5 | 34% | 0.339 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.7 | -50.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | N593 R594 K599 K600 | N593-A597 PolarHBondContact O-N 3.43Å; R594-A597 PolarHBondContact O-N 2.98Å; A597-K599 VanDerWaalsContact C-N 3.26Å; A597-K599 PolarHBondContact O-N 3.1Å; A597-K600 PolarHBondContact O-N 3.45Å |
| 598 | T | 51.2 | Low | 67.3 | Low | 80 Ų | 80 | 81.1 Ų | 81.1 | 49% | 0.491 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69 | -12.2 | -179.1 | 44.2 | 0 | 0 | 0 | 0 | 115.7 | E50 R594 K595 | E50-T598 VanDerWaalsContact OE2-CA 3.23Å; E50-T598 WeakPolarHBondContact OE2-CA 3.41Å; E50-T598 PolarHBondContact OE2-N 3.29Å; E50-T598 VanDerWaalsContact OE2-N 3.11Å; R594-T598 VanDerWaalsContact O-N 3.13Å; R594-T598 PolarHBondContact O-OG1 3.17Å; R594-T598 PolarHBondContact O-N 2.95Å; K595-T598 VanDerWaalsContact CA-OG1 3.29Å; K595-T598 WeakPolarHBondContact CA-OG1 3.41Å; K595-T598 PolarHBondContact O-OG1 3.25Å; K595-T598 VanDerWaalsContact O-OG1 3.08Å |
| 599 | K | 45.3 | Very low | 65.4 | Low | 173 Ų | 173 | 86.8 Ų | 86.8 | 75% | 0.752 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -7.2 | 177.1 | -81.6 | -173.8 | 176.6 | -174.8 | 0 | 114.5 | K595 A597 | K595-K599 WeakPolarHBondContact O-CB 3.38Å; K595-K599 WeakPolarHBondContact O-CG 3.41Å; K595-K599 PolarHBondContact O-N 3.36Å; A597-K599 VanDerWaalsContact C-N 3.26Å; A597-K599 PolarHBondContact O-N 3.1Å |
| 600 | K | 39.9 | Very low | 63.2 | Low | 178 Ų | 178 | 90.4 Ų | 90.4 | 77% | 0.774 | 45% | 0.452 | S | S | * | . | trans | -92.6 | 3.3 | -178.2 | -86.4 | -177.1 | 175.9 | -179.7 | 0 | 113.8 | S596 A597 | S596-K600 WeakPolarHBondContact O-CG 3.41Å; A597-K600 PolarHBondContact O-N 3.45Å | ||
| 601 | N | 37.4 | Very low | 60.8 | Low | 186 Ų | 186 | 94.1 Ų | 94.1 | 100% | 0.995 | 48% | 0.475 | S | S | * | . | trans | -124.8 | 0 | 167.8 | -64.9 | -33.9 | 0 | 0 | 0 | 109.1 |
Retrieved 601 of 601 residues in 762.7 ms
(Link to these results)